Automatic background updating for video-based vehicle detection

NASA Astrophysics Data System (ADS)

Hu, Chunhai; Li, Dongmei; Liu, Jichuan

2008-03-01

Video-based vehicle detection is one of the most valuable techniques for the Intelligent Transportation System (ITS). The widely used video-based vehicle detection technique is the background subtraction method. The key problem of this method is how to subtract and update the background effectively. In this paper an efficient background updating scheme based on Zone-Distribution for vehicle detection is proposed to resolve the problems caused by sudden camera perturbation, sudden or gradual illumination change and the sleeping person problem. The proposed scheme is robust and fast enough to satisfy the real-time constraints of vehicle detection.

A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples.

PubMed

Dutta, Achintya Kumar; Vaval, Nayana; Pal, Sourav

2015-01-28

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N(6) does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.

Connecting different TMD factorization formalisms in QCD

DOE PAGES

Collins, John; Rogers, Ted C.

2017-09-11

In the original Collins-Soper-Sterman (CSS) presentation of the results of transverse-momentum-dependent (TMD) factorization for the Drell-Yan process, results for perturbative coefficients can be obtained from calculations for collinear factorization. Here we show how to use these results, plus known results for the quark form factor, to obtain coefficients for TMD factorization in more recent formulations, e.g., that due to Collins, and apply them to known results at ordermore » $$\\alpha_s^2$$ and $$\\alpha_s^3$$. We also show that the ``non-perturbative'' functions as obtained from fits to data are equal in the two schemes. We compile the higher-order perturbative inputs needed for the updated CSS scheme by appealing to results obtained in a variety of different formalisms. In addition, we derive the connection between both versions of the CSS formalism and several formalisms based in soft-collinear effective theory (SCET). As a result, our work uses some important new results for factorization for the quark form factor, which we derive.« less

Connecting different TMD factorization formalisms in QCD

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

Collins, John; Rogers, Ted C.

In the original Collins-Soper-Sterman (CSS) presentation of the results of transverse-momentum-dependent (TMD) factorization for the Drell-Yan process, results for perturbative coefficients can be obtained from calculations for collinear factorization. Here we show how to use these results, plus known results for the quark form factor, to obtain coefficients for TMD factorization in more recent formulations, e.g., that due to Collins, and apply them to known results at ordermore » $$\\alpha_s^2$$ and $$\\alpha_s^3$$. We also show that the ``non-perturbative'' functions as obtained from fits to data are equal in the two schemes. We compile the higher-order perturbative inputs needed for the updated CSS scheme by appealing to results obtained in a variety of different formalisms. In addition, we derive the connection between both versions of the CSS formalism and several formalisms based in soft-collinear effective theory (SCET). As a result, our work uses some important new results for factorization for the quark form factor, which we derive.« less

Matching the quasiparton distribution in a momentum subtraction scheme

NASA Astrophysics Data System (ADS)

Stewart, Iain W.; Zhao, Yong

2018-03-01

The quasiparton distribution is a spatial correlation of quarks or gluons along the z direction in a moving nucleon which enables direct lattice calculations of parton distribution functions. It can be defined with a nonperturbative renormalization in a regularization independent momentum subtraction scheme (RI/MOM), which can then be perturbatively related to the collinear parton distribution in the MS ¯ scheme. Here we carry out a direct matching from the RI/MOM scheme for the quasi-PDF to the MS ¯ PDF, determining the non-singlet quark matching coefficient at next-to-leading order in perturbation theory. We find that the RI/MOM matching coefficient is insensitive to the ultraviolet region of convolution integral, exhibits improved perturbative convergence when converting between the quasi-PDF and PDF, and is consistent with a quasi-PDF that vanishes in the unphysical region as the proton momentum Pz→∞ , unlike other schemes. This direct approach therefore has the potential to improve the accuracy for converting quasidistribution lattice calculations to collinear distributions.

Scheme dependence and transverse momentum distribution interpretation of Collins-Soper-Sterman resummation

DOE PAGES

Prokudin, Alexei; Sun, Peng; Yuan, Feng

2015-10-01

Following an earlier derivation by Catani-de Florian-Grazzini (2000) on the scheme dependence in the Collins-Soper- Sterman (CSS) resummation formalism in hard scattering processes, we investigate the scheme dependence of the Transverse Momentum Distributions (TMDs) and their applications. By adopting a universal C-coefficient function associated with the integrated parton distributions, the difference between various TMD schemes can be attributed to a perturbative calculable function depending on the hard momentum scale. Thus, we further apply several TMD schemes to the Drell-Yan process of lepton pair production in hadronic collisions, and find that the constrained non-perturbative form factors in different schemes are remarkablymore » consistent with each other and with that of the standard CSS formalism.« less

Scheme dependence and transverse momentum distribution interpretation of Collins-Soper-Sterman resummation

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

Prokudin, Alexei; Sun, Peng; Yuan, Feng

Following an earlier derivation by Catani-de Florian-Grazzini (2000) on the scheme dependence in the Collins-Soper- Sterman (CSS) resummation formalism in hard scattering processes, we investigate the scheme dependence of the Transverse Momentum Distributions (TMDs) and their applications. By adopting a universal C-coefficient function associated with the integrated parton distributions, the difference between various TMD schemes can be attributed to a perturbative calculable function depending on the hard momentum scale. Thus, we further apply several TMD schemes to the Drell-Yan process of lepton pair production in hadronic collisions, and find that the constrained non-perturbative form factors in different schemes are remarkablymore » consistent with each other and with that of the standard CSS formalism.« less

Scheme dependence and transverse momentum distribution interpretation of Collins-Soper-Sterman resummation

NASA Astrophysics Data System (ADS)

Prokudin, Alexei; Sun, Peng; Yuan, Feng

2015-11-01

Following an earlier derivation by Catani, de Florian and Grazzini (2000) on the scheme dependence in the Collins-Soper-Sterman (CSS) resummation formalism in hard scattering processes, we investigate the scheme dependence of the Transverse Momentum Distributions (TMDs) and their applications. By adopting a universal C-coefficient function associated with the integrated parton distributions, the difference between various TMD schemes can be attributed to a perturbative calculable function depending on the hard momentum scale. We further apply several TMD schemes to the Drell-Yan process of lepton pair production in hadronic collisions, and find that the constrained non-perturbative form factors in different schemes are consistent with each other and with that of the standard CSS formalism.

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

Cheng, Lan, E-mail: chenglanster@gmail.com; Stopkowicz, Stella, E-mail: stella.stopkowicz@kjemi.uio.no; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

A perturbative approach to compute second-order spin-orbit (SO) corrections to a spin-free Dirac-Coulomb Hartree-Fock (SFDC-HF) calculation is suggested. The proposed scheme treats the difference between the DC and SFDC Hamiltonian as perturbation and exploits analytic second-derivative techniques. In addition, a cost-effective scheme for incorporating relativistic effects in high-accuracy calculations is suggested consisting of a SFDC coupled-cluster treatment augmented by perturbative SO corrections obtained at the HF level. Benchmark calculations for the hydrogen halides HX, X = F-At as well as the coinage-metal fluorides CuF, AgF, and AuF demonstrate the accuracy of the proposed perturbative treatment of SO effects on energiesmore » and electrical properties in comparison with the more rigorous full DC treatment. Furthermore, we present, as an application of our scheme, results for the electrical properties of AuF and XeAuF.« less

Fault-tolerant Greenberger-Horne-Zeilinger paradox based on non-Abelian anyons.

PubMed

Deng, Dong-Ling; Wu, Chunfeng; Chen, Jing-Ling; Oh, C H

2010-08-06

We propose a scheme to test the Greenberger-Horne-Zeilinger paradox based on braidings of non-Abelian anyons, which are exotic quasiparticle excitations of topological states of matter. Because topological ordered states are robust against local perturbations, this scheme is in some sense "fault-tolerant" and might close the detection inefficiency loophole problem in previous experimental tests of the Greenberger-Horne-Zeilinger paradox. In turn, the construction of the Greenberger-Horne-Zeilinger paradox reveals the nonlocal property of non-Abelian anyons. Our results indicate that the non-Abelian fractional statistics is a pure quantum effect and cannot be described by local realistic theories. Finally, we present a possible experimental implementation of the scheme based on the anyonic interferometry technologies.

Nuclear electromagnetic charge and current operators in Chiral EFT

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

Girlanda, Luca; Marcucci, Laura Elisa; Pastore, Saori

2013-08-01

We describe our method for deriving the nuclear electromagnetic charge and current operators in chiral perturbation theory, based on time-ordered perturbation theory. We then discuss possible strategies for fixing the relevant low-energy constants, from the magnetic moments of the deuteron and of the trinucleons, and from the radiative np capture cross sections, and identify a scheme which, partly relying on {Delta} resonance saturation, leads to a reasonable pattern of convergence of the chiral expansion.

Local influence for generalized linear models with missing covariates.

PubMed

Shi, Xiaoyan; Zhu, Hongtu; Ibrahim, Joseph G

2009-12-01

In the analysis of missing data, sensitivity analyses are commonly used to check the sensitivity of the parameters of interest with respect to the missing data mechanism and other distributional and modeling assumptions. In this article, we formally develop a general local influence method to carry out sensitivity analyses of minor perturbations to generalized linear models in the presence of missing covariate data. We examine two types of perturbation schemes (the single-case and global perturbation schemes) for perturbing various assumptions in this setting. We show that the metric tensor of a perturbation manifold provides useful information for selecting an appropriate perturbation. We also develop several local influence measures to identify influential points and test model misspecification. Simulation studies are conducted to evaluate our methods, and real datasets are analyzed to illustrate the use of our local influence measures.

Formation tracker design of multiple mobile robots with wheel perturbations: adaptive output-feedback approach

NASA Astrophysics Data System (ADS)

Yoo, Sung Jin

2016-11-01

This paper presents a theoretical design approach for output-feedback formation tracking of multiple mobile robots under wheel perturbations. It is assumed that these perturbations are unknown and the linear and angular velocities of the robots are unmeasurable. First, adaptive state observers for estimating unmeasurable velocities of the robots are developed under the robots' kinematics and dynamics including wheel perturbation effects. Then, we derive a virtual-structure-based formation tracker scheme according to the observer dynamic surface design procedure. The main difficulty of the output-feedback control design is to manage the coupling problems between unmeasurable velocities and unknown wheel perturbation effects. These problems are avoided by using the adaptive technique and the function approximation property based on fuzzy logic systems. From the Lyapunov stability analysis, it is shown that point tracking errors of each robot and synchronisation errors for the desired formation converge to an adjustable neighbourhood of the origin, while all signals in the controlled closed-loop system are semiglobally uniformly ultimately bounded.

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Inviscid Fluxes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2010-01-01

Cell-centered and node-centered approaches have been compared for unstructured finite-volume discretization of inviscid fluxes. The grids range from regular grids to irregular grids, including mixed-element grids and grids with random perturbations of nodes. Accuracy, complexity, and convergence rates of defect-correction iterations are studied for eight nominally second-order accurate schemes: two node-centered schemes with weighted and unweighted least-squares (LSQ) methods for gradient reconstruction and six cell-centered schemes two node-averaging with and without clipping and four schemes that employ different stencils for LSQ gradient reconstruction. The cell-centered nearest-neighbor (CC-NN) scheme has the lowest complexity; a version of the scheme that involves smart augmentation of the LSQ stencil (CC-SA) has only marginal complexity increase. All other schemes have larger complexity; complexity of node-centered (NC) schemes are somewhat lower than complexity of cell-centered node-averaging (CC-NA) and full-augmentation (CC-FA) schemes. On highly anisotropic grids typical of those encountered in grid adaptation, discretization errors of five of the six cell-centered schemes converge with second order on all tested grids; the CC-NA scheme with clipping degrades solution accuracy to first order. The NC schemes converge with second order on regular and/or triangular grids and with first order on perturbed quadrilaterals and mixed-element grids. All schemes may produce large relative errors in gradient reconstruction on grids with perturbed nodes. Defect-correction iterations for schemes employing weighted least-square gradient reconstruction diverge on perturbed stretched grids. Overall, the CC-NN and CC-SA schemes offer the best options of the lowest complexity and secondorder discretization errors. On anisotropic grids over a curved body typical of turbulent flow simulations, the discretization errors converge with second order and are small for the CC-NN, CC-SA, and CC-FA schemes on all grids and for NC schemes on triangular grids; the discretization errors of the CC-NA scheme without clipping do not converge on irregular grids. Accurate gradient reconstruction can be achieved by introducing a local approximate mapping; without approximate mapping, only the NC scheme with weighted LSQ method provides accurate gradients. Defect correction iterations for the CC-NA scheme without clipping diverge; for the NC scheme with weighted LSQ method, the iterations either diverge or converge very slowly. The best option in curved geometries is the CC-SA scheme that offers low complexity, second-order discretization errors, and fast convergence.

On the Perturbative Equivalence Between the Hamiltonian and Lagrangian Quantizations

NASA Astrophysics Data System (ADS)

Batalin, I. A.; Tyutin, I. V.

The Hamiltonian (BFV) and Lagrangian (BV) quantization schemes are proved to be perturbatively equivalent to each other. It is shown in particular that the quantum master equation being treated perturbatively possesses a local formal solution.

Excursion set mass functions for hierarchical Gaussian fluctuations

NASA Technical Reports Server (NTRS)

Bond, J. R.; Kaiser, N.; Cole, S.; Efstathiou, G.

1991-01-01

It is pointed out that most schemes for determining the mass function of virialized objects from the statistics of the initial density perturbation field suffer from the cloud-in-cloud problem of miscounting the number of low-mass clumps, many of which would have been subsumed into larger objects. The paper proposes a solution based on the theory of the excursion sets of F(r, R sub f), the four-dimensional initial density perturbation field smoothed with a continuous hierarchy of filters of radii R sub f.

Vibrational quasi-degenerate perturbation theory with optimized coordinates: Applications to ethylene and trans-1,3-butadiene

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

Yagi, Kiyoshi, E-mail: kiyoshi.yagi@riken.jp; Otaki, Hiroki

A perturbative extension to optimized coordinate vibrational self-consistent field (oc-VSCF) is proposed based on the quasi-degenerate perturbation theory (QDPT). A scheme to construct the degenerate space (P space) is developed, which incorporates degenerate configurations and alleviates the divergence of perturbative expansion due to localized coordinates in oc-VSCF (e.g., local O–H stretching modes of water). An efficient configuration selection scheme is also implemented, which screens out the Hamiltonian matrix element between the P space configuration (p) and the complementary Q space configuration (q) based on a difference in their quantum numbers (λ{sub pq} = ∑{sub s}|p{sub s} − q{sub s}|). Itmore » is demonstrated that the second-order vibrational QDPT based on optimized coordinates (oc-VQDPT2) smoothly converges with respect to the order of the mode coupling, and outperforms the conventional one based on normal coordinates. Furthermore, an improved, fast algorithm is developed for optimizing the coordinates. First, the minimization of the VSCF energy is conducted in a restricted parameter space, in which only a portion of pairs of coordinates is selectively transformed. A rational index is devised for this purpose, which identifies the important coordinate pairs to mix from others that may remain unchanged based on the magnitude of harmonic coupling induced by the transformation. Second, a cubic force field (CFF) is employed in place of a quartic force field, which bypasses intensive procedures that arise due to the presence of the fourth-order force constants. It is found that oc-VSCF based on CFF together with the pair selection scheme yields the coordinates similar in character to the conventional ones such that the final vibrational energy is affected very little while gaining an order of magnitude acceleration. The proposed method is applied to ethylene and trans-1,3-butadiene. An accurate, multi-resolution potential, which combines the MP2 and coupled-cluster with singles, doubles, and perturbative triples level of electronic structure theory, is generated and employed in the oc-VQDPT2 calculation to obtain the fundamental tones as well as selected overtones/combination tones coupled to the fundamentals through the Fermi resonance. The calculated frequencies of ethylene and trans-1,3-butadiene are found to be in excellent agreement with the experimental values with a mean absolute error of 8 and 9 cm{sup −1}, respectively.« less

Differential laser-induced perturbation spectroscopy and fluorescence imaging for biological and materials sensing

NASA Astrophysics Data System (ADS)

Burton, Dallas Jonathan

The field of laser-based diagnostics has been a topic of research in various fields, more specifically for applications in environmental studies, military defense technologies, and medicine, among many others. In this dissertation, a novel laser-based optical diagnostic method, differential laser-induced perturbation spectroscopy (DLIPS), has been implemented in a spectroscopy mode and expanded into an imaging mode in combination with fluorescence techniques. The DLIPS method takes advantage of deep ultraviolet (UV) laser perturbation at sub-ablative energy fluences to photochemically cleave bonds and alter fluorescence signal response before and after perturbation. The resulting difference spectrum or differential image adds more information about the target specimen, and can be used in combination with traditional fluorescence techniques for detection of certain materials, characterization of many materials and biological specimen, and diagnosis of various human skin conditions. The differential aspect allows for mitigation of patient or sample variation, and has the potential to develop into a powerful, noninvasive optical sensing tool. The studies in this dissertation encompass efforts to continue the fundamental research on DLIPS including expansion of the method to an imaging mode. Five primary studies have been carried out and presented. These include the use of DLIPS in a spectroscopy mode for analysis of nitrogen-based explosives on various substrates, classification of Caribbean fruit flies versus Caribbean fruit flies that have been irradiated with gamma rays, and diagnosis of human skin cancer lesions. The nitrogen-based explosives and Caribbean fruit flies have been analyzed with the DLIPS scheme using the imaging modality, providing complementary information to the spectroscopic scheme. In each study, a comparison between absolute fluorescence signals and DLIPS responses showed that DLIPS statistically outperformed traditional fluorescence techniques with regards to regression error and classification.

Perturbative Quantum Gauge Theories on Manifolds with Boundary

NASA Astrophysics Data System (ADS)

Cattaneo, Alberto S.; Mnev, Pavel; Reshetikhin, Nicolai

2018-01-01

This paper introduces a general perturbative quantization scheme for gauge theories on manifolds with boundary, compatible with cutting and gluing, in the cohomological symplectic (BV-BFV) formalism. Explicit examples, like abelian BF theory and its perturbations, including nontopological ones, are presented.

A synergetic combination of small and large neighborhood schemes in developing an effective procedure for solving the job shop scheduling problem.

PubMed

Amirghasemi, Mehrdad; Zamani, Reza

2014-01-01

This paper presents an effective procedure for solving the job shop problem. Synergistically combining small and large neighborhood schemes, the procedure consists of four components, namely (i) a construction method for generating semi-active schedules by a forward-backward mechanism, (ii) a local search for manipulating a small neighborhood structure guided by a tabu list, (iii) a feedback-based mechanism for perturbing the solutions generated, and (iv) a very large-neighborhood local search guided by a forward-backward shifting bottleneck method. The combination of shifting bottleneck mechanism and tabu list is used as a means of the manipulation of neighborhood structures, and the perturbation mechanism employed diversifies the search. A feedback mechanism, called repeat-check, detects consequent repeats and ignites a perturbation when the total number of consecutive repeats for two identical makespan values reaches a given threshold. The results of extensive computational experiments on the benchmark instances indicate that the combination of these four components is synergetic, in the sense that they collectively make the procedure fast and robust.

Geometric Data Perturbation-Based Personal Health Record Transactions in Cloud Computing

PubMed Central

Balasubramaniam, S.; Kavitha, V.

2015-01-01

Cloud computing is a new delivery model for information technology services and it typically involves the provision of dynamically scalable and often virtualized resources over the Internet. However, cloud computing raises concerns on how cloud service providers, user organizations, and governments should handle such information and interactions. Personal health records represent an emerging patient-centric model for health information exchange, and they are outsourced for storage by third parties, such as cloud providers. With these records, it is necessary for each patient to encrypt their own personal health data before uploading them to cloud servers. Current techniques for encryption primarily rely on conventional cryptographic approaches. However, key management issues remain largely unsolved with these cryptographic-based encryption techniques. We propose that personal health record transactions be managed using geometric data perturbation in cloud computing. In our proposed scheme, the personal health record database is perturbed using geometric data perturbation and outsourced to the Amazon EC2 cloud. PMID:25767826

Geometric data perturbation-based personal health record transactions in cloud computing.

PubMed

Balasubramaniam, S; Kavitha, V

2015-01-01

Cloud computing is a new delivery model for information technology services and it typically involves the provision of dynamically scalable and often virtualized resources over the Internet. However, cloud computing raises concerns on how cloud service providers, user organizations, and governments should handle such information and interactions. Personal health records represent an emerging patient-centric model for health information exchange, and they are outsourced for storage by third parties, such as cloud providers. With these records, it is necessary for each patient to encrypt their own personal health data before uploading them to cloud servers. Current techniques for encryption primarily rely on conventional cryptographic approaches. However, key management issues remain largely unsolved with these cryptographic-based encryption techniques. We propose that personal health record transactions be managed using geometric data perturbation in cloud computing. In our proposed scheme, the personal health record database is perturbed using geometric data perturbation and outsourced to the Amazon EC2 cloud.

Intelligent control of PV system on the basis of the fuzzy recurrent neuronet*

NASA Astrophysics Data System (ADS)

Engel, E. A.; Kovalev, I. V.; Engel, N. E.

2016-04-01

This paper presents the fuzzy recurrent neuronet for PV system’s control. Based on the PV system’s state, the fuzzy recurrent neural net tracks the maximum power point under random perturbations. The validity and advantages of the proposed intelligent control of PV system are demonstrated by numerical simulations. The simulation results show that the proposed intelligent control of PV system achieves real-time control speed and competitive performance, as compared to a classical control scheme on the basis of the perturbation & observation algorithm.

The role of higher-order terms in perturbation approaches to the monomer and\\xA0bonding contributions in a SAFT-type equation of state for square-well chain\\xA0fluids

NASA Astrophysics Data System (ADS)

Solana, J. R.; Akhouri, B. P.

2018-07-01

A perturbation theory for square-well chain fluids is developed within the scheme of the (generalised) Wertheim thermodynamic perturbation theory. The theory is based on the Pavlyukhin parametrisations [Y. T. Pavlyukhin, J. Struct. Chem. 53, 476 (2012)] of their simulation data for the first four perturbation terms in the high temperature expansion of the Helmholtz free energy of square-well monomer fluids combined with a second-order perturbation theory for the contact value of the radial distribution function of the square-well monomer fluid that enters into bonding contribution. To obtain the latter perturbation terms, we have performed computer simulations in the hard-sphere reference system. The importance of the perturbation terms beyond the second-order one for the monomer fluid and of the approximations of different orders in the bonding contribution for the chain fluids in the predicted equation of state, excess energy and liquid-vapour coexistence densities is analysed.

Local Influence Analysis of Nonlinear Structural Equation Models

ERIC Educational Resources Information Center

Lee, Sik-Yum; Tang, Nian-Sheng

2004-01-01

By regarding the latent random vectors as hypothetical missing data and based on the conditional expectation of the complete-data log-likelihood function in the EM algorithm, we investigate assessment of local influence of various perturbation schemes in a nonlinear structural equation model. The basic building blocks of local influence analysis…

A core-halo pattern of entropy creation in gravitational collapse

NASA Astrophysics Data System (ADS)

Wren, Andrew J.

2018-03-01

This paper presents a kinetic theory model of gravitational collapse due to a small perturbation. Solving the relevant equations yields a pattern of entropy destruction in a spherical core around the perturbation, and entropy creation in a surrounding halo. This indicates collisional "de-relaxation" in the core, and collisional relaxation in the halo. Core-halo patterns are ubiquitous in the astrophysics of gravitational collapse, and are found here without any of the prior assumptions of such a pattern usually made in analytical models. Motivated by this analysis, the paper outlines a possible scheme for identifying structure formation in a set of observations or a simulation. This scheme involves a choice of coarse-graining scale appropriate to the structure under consideration, and might aid exploration of hierarchical structure formation, supplementing the usual density-based methods for highlighting astrophysical and cosmological structure at various scales.

A core-halo pattern of entropy creation in gravitational collapse

NASA Astrophysics Data System (ADS)

Wren, Andrew J.

2018-07-01

This paper presents a kinetic theory model of gravitational collapse due to a small perturbation. Solving the relevant equations yields a pattern of entropy destruction in a spherical core around the perturbation, and entropy creation in a surrounding halo. This indicates collisional `de-relaxation' in the core, and collisional relaxation in the halo. Core-halo patterns are ubiquitous in the astrophysics of gravitational collapse and are found here without any of the prior assumptions of such a pattern usually made in analytical models. Motivated by this analysis, the paper outlines a possible scheme for identifying structure formation in a set of observations or a simulation. This scheme involves a choice of coarse-graining scale appropriate to the structure under consideration, and might aid exploration of hierarchical structure formation, supplementing the usual density-based methods for highlighting astrophysical and cosmological structure at various scales.

Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

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

Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch

2015-12-14

We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already delivermore » a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.« less

Robustness-Based Simplification of 2D Steady and Unsteady Vector Fields.

PubMed

Skraba, Primoz; Bei Wang; Guoning Chen; Rosen, Paul

2015-08-01

Vector field simplification aims to reduce the complexity of the flow by removing features in order of their relevance and importance, to reveal prominent behavior and obtain a compact representation for interpretation. Most existing simplification techniques based on the topological skeleton successively remove pairs of critical points connected by separatrices, using distance or area-based relevance measures. These methods rely on the stable extraction of the topological skeleton, which can be difficult due to instability in numerical integration, especially when processing highly rotational flows. In this paper, we propose a novel simplification scheme derived from the recently introduced topological notion of robustness which enables the pruning of sets of critical points according to a quantitative measure of their stability, that is, the minimum amount of vector field perturbation required to remove them. This leads to a hierarchical simplification scheme that encodes flow magnitude in its perturbation metric. Our novel simplification algorithm is based on degree theory and has minimal boundary restrictions. Finally, we provide an implementation under the piecewise-linear setting and apply it to both synthetic and real-world datasets. We show local and complete hierarchical simplifications for steady as well as unsteady vector fields.

A numerical scheme for singularly perturbed reaction-diffusion problems with a negative shift via numerov method

NASA Astrophysics Data System (ADS)

Dinesh Kumar, S.; Nageshwar Rao, R.; Pramod Chakravarthy, P.

2017-11-01

In this paper, we consider a boundary value problem for a singularly perturbed delay differential equation of reaction-diffusion type. We construct an exponentially fitted numerical method using Numerov finite difference scheme, which resolves not only the boundary layers but also the interior layers arising from the delay term. An extensive amount of computational work has been carried out to demonstrate the applicability of the proposed method.

Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

PubMed

Boulougouris, Georgios C

2014-05-15

The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be valid, the free energy calculation can be expressed in terms of the moment generating function of the "chemical work" distribution. Copyright © 2014 Wiley Periodicals, Inc.

Generalized Autobalanced Ramsey Spectroscopy of Clock Transitions

NASA Astrophysics Data System (ADS)

Yudin, V. I.; Taichenachev, A. V.; Basalaev, M. Yu.; Zanon-Willette, T.; Pollock, J. W.; Shuker, M.; Donley, E. A.; Kitching, J.

2018-05-01

When performing precision measurements, the quantity being measured is often perturbed by the measurement process itself. Such measurements include precision frequency measurements for atomic clock applications carried out with Ramsey spectroscopy. With the aim of eliminating probe-induced perturbations, a method of generalized autobalanced Ramsey spectroscopy (GABRS) is presented and rigorously substantiated. The usual local-oscillator frequency control loop is augmented with a second control loop derived from secondary Ramsey sequences interspersed with the primary sequences and with a different Ramsey period. This second loop feeds back to a secondary clock variable and ultimately compensates for the perturbation of the clock frequency caused by the measurements in the first loop. We show that such a two-loop scheme can lead to perfect compensation for measurement-induced light shifts and does not suffer from the effects of relaxation, time-dependent pulse fluctuations and phase-jump modulation errors that are typical of other hyper-Ramsey schemes. Several variants of GABRS are explored based on different secondary variables including added relative phase shifts between Ramsey pulses, external frequency-step compensation, and variable second-pulse duration. We demonstrate that a universal antisymmetric error signal, and hence perfect compensation at a finite modulation amplitude, is generated only if an additional frequency step applied during both Ramsey pulses is used as the concomitant variable parameter. This universal technique can be applied to the fields of atomic clocks, high-resolution molecular spectroscopy, magnetically induced and two-photon probing schemes, Ramsey-type mass spectrometry, and the field of precision measurements. Some variants of GABRS can also be applied for rf atomic clocks using coherent-population-trapping-based Ramsey spectroscopy of the two-photon dark resonance.

Numerical simulations of the process of multiple shock-flame interactions

NASA Astrophysics Data System (ADS)

Jiang, Hua; Dong, Gang; chen, Xiao; Wu, Jin-Tao

2016-08-01

Based on a weighted essentially nonoscillatory scheme, the multiple interactions of a flame interface with an incident shock wave and its reshock waves are numerically simulated by solving the compressible reactive Navier-Stokes equations with a single-step Arrhenius chemical reaction. The two-dimensional sinusoidally perturbed premixed flames with different initial perturbed amplitudes are used to investigate the effect of the initial perturbation on the flame evolutions. The results show that the development of the flame interface is directly affected by the initial perturbed amplitudes before the passages of reshock waves, and the perturbation development is mainly controlled by the Richtmyer-Meshkov instability (RMI). After the successive impacts of multiple reshock waves, the chemical reaction accelerates the consumption of reactants and leads to a gradual disappearance of the initial perturbed information. The perturbation developments in frozen flows with the same initial interface as those in reactive flows are also demonstrated. Comparisons of results between the reactive and frozen flows show that a chemical reaction changes the perturbation pattern of the flame interface by decreasing the density gradient, thereby weakening the baroclinic torque in the flame mixing region, and therefore plays a dominant role after the passage of reshock waves.

Construction of Low Dissipative High Order Well-Balanced Filter Schemes for Non-Equilibrium Flows

NASA Technical Reports Server (NTRS)

Wang, Wei; Yee, H. C.; Sjogreen, Bjorn; Magin, Thierry; Shu, Chi-Wang

2009-01-01

The goal of this paper is to generalize the well-balanced approach for non-equilibrium flow studied by Wang et al. [26] to a class of low dissipative high order shock-capturing filter schemes and to explore more advantages of well-balanced schemes in reacting flows. The class of filter schemes developed by Yee et al. [30], Sjoegreen & Yee [24] and Yee & Sjoegreen [35] consist of two steps, a full time step of spatially high order non-dissipative base scheme and an adaptive nonlinear filter containing shock-capturing dissipation. A good property of the filter scheme is that the base scheme and the filter are stand alone modules in designing. Therefore, the idea of designing a well-balanced filter scheme is straightforward, i.e., choosing a well-balanced base scheme with a well-balanced filter (both with high order). A typical class of these schemes shown in this paper is the high order central difference schemes/predictor-corrector (PC) schemes with a high order well-balanced WENO filter. The new filter scheme with the well-balanced property will gather the features of both filter methods and well-balanced properties: it can preserve certain steady state solutions exactly; it is able to capture small perturbations, e.g., turbulence fluctuations; it adaptively controls numerical dissipation. Thus it shows high accuracy, efficiency and stability in shock/turbulence interactions. Numerical examples containing 1D and 2D smooth problems, 1D stationary contact discontinuity problem and 1D turbulence/shock interactions are included to verify the improved accuracy, in addition to the well-balanced behavior.

Absence of even-integer ζ-function values in Euclidean physical quantities in QCD

NASA Astrophysics Data System (ADS)

Jamin, Matthias; Miravitllas, Ramon

2018-04-01

At order αs4 in perturbative quantum chromodynamics, even-integer ζ-function values are present in Euclidean physical correlation functions like the scalar quark correlation function or the scalar gluonium correlator. We demonstrate that these contributions cancel when the perturbative expansion is expressed in terms of the so-called C-scheme coupling αˆs which has recently been introduced in Ref. [1]. It is furthermore conjectured that a ζ4 term should arise in the Adler function at order αs5 in the MS ‾-scheme, and that this term is expected to disappear in the C-scheme as well.

Quasiparticle self-consistent GW method for the spectral properties of complex materials.

PubMed

Bruneval, Fabien; Gatti, Matteo

2014-01-01

The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.

Approximate optimal guidance for the advanced launch system

NASA Technical Reports Server (NTRS)

Feeley, T. S.; Speyer, J. L.

1993-01-01

A real-time guidance scheme for the problem of maximizing the payload into orbit subject to the equations of motion for a rocket over a spherical, non-rotating earth is presented. An approximate optimal launch guidance law is developed based upon an asymptotic expansion of the Hamilton - Jacobi - Bellman or dynamic programming equation. The expansion is performed in terms of a small parameter, which is used to separate the dynamics of the problem into primary and perturbation dynamics. For the zeroth-order problem the small parameter is set to zero and a closed-form solution to the zeroth-order expansion term of Hamilton - Jacobi - Bellman equation is obtained. Higher-order terms of the expansion include the effects of the neglected perturbation dynamics. These higher-order terms are determined from the solution of first-order linear partial differential equations requiring only the evaluation of quadratures. This technique is preferred as a real-time, on-line guidance scheme to alternative numerical iterative optimization schemes because of the unreliable convergence properties of these iterative guidance schemes and because the quadratures needed for the approximate optimal guidance law can be performed rapidly and by parallel processing. Even if the approximate solution is not nearly optimal, when using this technique the zeroth-order solution always provides a path which satisfies the terminal constraints. Results for two-degree-of-freedom simulations are presented for the simplified problem of flight in the equatorial plane and compared to the guidance scheme generated by the shooting method which is an iterative second-order technique.

Privacy Is Become with, Data Perturbation

NASA Astrophysics Data System (ADS)

Singh, Er. Niranjan; Singhai, Niky

2011-06-01

Privacy is becoming an increasingly important issue in many data mining applications that deal with health care, security, finance, behavior and other types of sensitive data. Is particularly becoming important in counterterrorism and homeland security-related applications. We touch upon several techniques of masking the data, namely random distortion, including the uniform and Gaussian noise, applied to the data in order to protect it. These perturbation schemes are equivalent to additive perturbation after the logarithmic Transformation. Due to the large volume of research in deriving private information from the additive noise perturbed data, the security of these perturbation schemes is questionable Many artificial intelligence and statistical methods exist for data analysis interpretation, Identifying and measuring the interestingness of patterns and rules discovered, or to be discovered is essential for the evaluation of the mined knowledge and the KDD process as a whole. While some concrete measurements exist, assessing the interestingness of discovered knowledge is still an important research issue. As the tool for the algorithm implementations we chose the language of choice in industrial world MATLAB.

Subharmonic response of a single-degree-of-freedom nonlinear vibro-impact system to a narrow-band random excitation.

PubMed

Haiwu, Rong; Wang, Xiangdong; Xu, Wei; Fang, Tong

2009-08-01

The subharmonic response of single-degree-of-freedom nonlinear vibro-impact oscillator with a one-sided barrier to narrow-band random excitation is investigated. The narrow-band random excitation used here is a filtered Gaussian white noise. The analysis is based on a special Zhuravlev transformation, which reduces the system to one without impacts, or velocity jumps, thereby permitting the applications of asymptotic averaging over the "fast" variables. The averaged stochastic equations are solved exactly by the method of moments for the mean-square response amplitude for the case of linear system with zero offset. A perturbation-based moment closure scheme is proposed and the formula of the mean-square amplitude is obtained approximately for the case of linear system with nonzero offset. The perturbation-based moment closure scheme is used once again to obtain the algebra equation of the mean-square amplitude of the response for the case of nonlinear system. The effects of damping, detuning, nonlinear intensity, bandwidth, and magnitudes of random excitations are analyzed. The theoretical analyses are verified by numerical results. Theoretical analyses and numerical simulations show that the peak amplitudes may be strongly reduced at large detunings or large nonlinear intensity.

Methods of separation of variables in turbulence theory

NASA Technical Reports Server (NTRS)

Tsuge, S.

1978-01-01

Two schemes of closing turbulent moment equations are proposed both of which make double correlation equations separated into single-point equations. The first is based on neglected triple correlation, leading to an equation differing from small perturbed gasdynamic equations where the separation constant appears as the frequency. Grid-produced turbulence is described in this light as time-independent, cylindrically-isotropic turbulence. Application to wall turbulence guided by a new asymptotic method for the Orr-Sommerfeld equation reveals a neutrally stable mode of essentially three dimensional nature. The second closure scheme is based on an assumption of identity of the separated variables through which triple and quadruple correlations are formed. The resulting equation adds, to its equivalent of the first scheme, an integral of nonlinear convolution in the frequency describing a role due to triple correlation of direct energy-cascading.

Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes.

PubMed

Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang

2014-04-07

We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.

Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes

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

Liu, Hao; Zhu, Lili; Bai, Shuming

2014-04-07

We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly inmore » the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.« less

Mitigate the tent-induced perturbation in ignition capsules by supersonic radiation propagation

NASA Astrophysics Data System (ADS)

Dai, Zhensheng; Gu, Jianfa; Zheng, Wudi

2017-10-01

In the inertial confinement fusion (ICF) scheme, to trap the alpha particle products of the D-T reaction, the capsules needs to be imploded and compressed with high symmetry In the laser indirect drive scheme, the capsules are held at the center of high-Z hohlraums by thin membranes (tents). However, the tents are recognized as one of the most important contributors to hot spot asymmetries, areal density perturbations and reduced performance. To improve the capsule implosion performance, various alternatives such as the micro-scale rods, a larger fill-tube and a low-density foam layer around the capsule have been presented. Our simulations show that the radiation propagates supersonically in the low-density foam layer and starts to ablate the capsule before the perturbations induced by the tents reach the ablating fronts. The tent induced perturbations are remarkably weakened when they are propagating in the blow-off plasma.

Tests of oceanic stochastic parameterisation in a seasonal forecast system.

NASA Astrophysics Data System (ADS)

Cooper, Fenwick; Andrejczuk, Miroslaw; Juricke, Stephan; Zanna, Laure; Palmer, Tim

2015-04-01

Over seasonal time scales, our aim is to compare the relative impact of ocean initial condition and model uncertainty, upon the ocean forecast skill and reliability. Over seasonal timescales we compare four oceanic stochastic parameterisation schemes applied in a 1x1 degree ocean model (NEMO) with a fully coupled T159 atmosphere (ECMWF IFS). The relative impacts upon the ocean of the resulting eddy induced activity, wind forcing and typical initial condition perturbations are quantified. Following the historical success of stochastic parameterisation in the atmosphere, two of the parameterisations tested were multiplicitave in nature: A stochastic variation of the Gent-McWilliams scheme and a stochastic diffusion scheme. We also consider a surface flux parameterisation (similar to that introduced by Williams, 2012), and stochastic perturbation of the equation of state (similar to that introduced by Brankart, 2013). The amplitude of the stochastic term in the Williams (2012) scheme was set to the physically reasonable amplitude considered in that paper. The amplitude of the stochastic term in each of the other schemes was increased to the limits of model stability. As expected, variability was increased. Up to 1 month after initialisation, ensemble spread induced by stochastic parameterisation is greater than that induced by the atmosphere, whilst being smaller than the initial condition perturbations currently used at ECMWF. After 1 month, the wind forcing becomes the dominant source of model ocean variability, even at depth.

Universality of bridge functions and its relation to variational perturbation theory and additivity of equations of state

NASA Astrophysics Data System (ADS)

Rosenfeld, Yaakov

1984-05-01

Featuring the modified hypernetted-chain (MHNC) scheme as a variational fitting procedure, we demonstrate that the accuracy of the variational perturbation theory (VPT) and of the method based on additivity of equations of state is determined by the excess entropy dependence of the bridge-function parameters [i.e., η(s) when the Percus-Yevick hard-sphere bridge functions are employed]. It is found that η(s) is nearly universal for all soft (i.e., "physical") potentials while it is distinctly different for the hard spheres, providing a graphical display of the "jump" in pair-potential space (with respect to accuracy of VPT) from "hard" to "soft" behavior. The universality of η(s) provides a local criterion for the MHNC scheme that should be useful for inverting structure-factor data in order to obtain the potential. An alternative local MHNC criterion due to Lado is rederived and extended, and it is also analyzed in light of the plot of η(s).

Connecting different TMD factorization formalisms in QCD

NASA Astrophysics Data System (ADS)

Collins, John; Rogers, Ted C.

2017-09-01

In the original Collins-Soper-Sterman (CSS) presentation of the results of transverse-momentum-dependent (TMD) factorization for the Drell-Yan process, results for perturbative coefficients can be obtained from calculations for collinear factorization. Here we show how to use these results, plus known results for the quark form factor, to obtain coefficients for TMD factorization in more recent formulations, e.g., that due to Collins, and apply them to known results at order αs2 and αs3. We also show that the "nonperturbative" functions as obtained from fits to data are equal in the two schemes. We compile the higher-order perturbative inputs needed for the updated CSS scheme by appealing to results obtained in a variety of different formalisms. In addition, we derive the connection between both versions of the CSS formalism and several formalisms based in soft-collinear effective theory (SCET). Our work uses some important new results for factorization for the quark form factor, which we derive.

Non-hard sphere thermodynamic perturbation theory.

PubMed

Zhou, Shiqi

2011-08-21

A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of f(ex-ref), chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established. © 2011 American Institute of Physics

Renormalization of quark bilinear operators in a momentum-subtraction scheme with a nonexceptional subtraction point

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

Sturm, C.; Soni, A.; Aoki, Y.

2009-07-01

We extend the Rome-Southampton regularization independent momentum-subtraction renormalization scheme (RI/MOM) for bilinear operators to one with a nonexceptional, symmetric subtraction point. Two-point Green's functions with the insertion of quark bilinear operators are computed with scalar, pseudoscalar, vector, axial-vector and tensor operators at one-loop order in perturbative QCD. We call this new scheme RI/SMOM, where the S stands for 'symmetric'. Conversion factors are derived, which connect the RI/SMOM scheme and the MS scheme and can be used to convert results obtained in lattice calculations into the MS scheme. Such a symmetric subtraction point involves nonexceptional momenta implying a lattice calculation withmore » substantially suppressed contamination from infrared effects. Further, we find that the size of the one-loop corrections for these infrared improved kinematics is substantially decreased in the case of the pseudoscalar and scalar operator, suggesting a much better behaved perturbative series. Therefore it should allow us to reduce the error in the determination of the quark mass appreciably.« less

Optimized Controller Design for a 12-Pulse Voltage Source Converter Based HVDC System

NASA Astrophysics Data System (ADS)

Agarwal, Ruchi; Singh, Sanjeev

2017-12-01

The paper proposes an optimized controller design scheme for power quality improvement in 12-pulse voltage source converter based high voltage direct current system. The proposed scheme is hybrid combination of golden section search and successive linear search method. The paper aims at reduction of current sensor and optimization of controller. The voltage and current controller parameters are selected for optimization due to its impact on power quality. The proposed algorithm for controller optimizes the objective function which is composed of current harmonic distortion, power factor, and DC voltage ripples. The detailed designs and modeling of the complete system are discussed and its simulation is carried out in MATLAB-Simulink environment. The obtained results are presented to demonstrate the effectiveness of the proposed scheme under different transient conditions such as load perturbation, non-linear load condition, voltage sag condition, and tapped load fault under one phase open condition at both points-of-common coupling.

Inclusion of Linearized Moist Physics in Nasa's Goddard Earth Observing System Data Assimilation Tools

NASA Technical Reports Server (NTRS)

Holdaway, Daniel; Errico, Ronald; Gelaro, Ronaldo; Kim, Jong G.

2013-01-01

Inclusion of moist physics in the linearized version of a weather forecast model is beneficial in terms of variational data assimilation. Further, it improves the capability of important tools, such as adjoint-based observation impacts and sensitivity studies. A linearized version of the relaxed Arakawa-Schubert (RAS) convection scheme has been developed and tested in NASA's Goddard Earth Observing System data assimilation tools. A previous study of the RAS scheme showed it to exhibit reasonable linearity and stability. This motivates the development of a linearization of a near-exact version of the RAS scheme. Linearized large-scale condensation is included through simple conversion of supersaturation into precipitation. The linearization of moist physics is validated against the full nonlinear model for 6- and 24-h intervals, relevant to variational data assimilation and observation impacts, respectively. For a small number of profiles, sudden large growth in the perturbation trajectory is encountered. Efficient filtering of these profiles is achieved by diagnosis of steep gradients in a reduced version of the operator of the tangent linear model. With filtering turned on, the inclusion of linearized moist physics increases the correlation between the nonlinear perturbation trajectory and the linear approximation of the perturbation trajectory. A month-long observation impact experiment is performed and the effect of including moist physics on the impacts is discussed. Impacts from moist-sensitive instruments and channels are increased. The effect of including moist physics is examined for adjoint sensitivity studies. A case study examining an intensifying Northern Hemisphere Atlantic storm is presented. The results show a significant sensitivity with respect to moisture.

3-D Inhomogeous Radiative Transfer Model using a Planar-stratified Forward RT Model and Horizontal Perturbation Series

NASA Astrophysics Data System (ADS)

Zhang, K.; Gasiewski, A. J.

2017-12-01

A horizontally inhomogeneous unified microwave radiative transfer (HI-UMRT) model based upon a nonspherical hydrometeor scattering model is being developed at the University of Colorado at Boulder to facilitate forward radiative simulations for 3-dimensionally inhomogeneous clouds in severe weather. The HI-UMRT 3-D analytical solution is based on incorporating a planar-stratified 1-D UMRT algorithm within a horizontally inhomogeneous iterative perturbation scheme. Single-scattering parameters are computed using the Discrete Dipole Scattering (DDSCAT v7.3) program for hundreds of carefully selected nonspherical complex frozen hydrometeors from the NASA/GSFC DDSCAT database. The required analytic factorization symmetry of transition matrix in a normalized RT equation was analytically proved and validated numerically using the DDSCAT-based full Stokes matrix of randomly oriented hydrometeors. The HI-UMRT model thus inherits the properties of unconditional numerical stability, efficiency, and accuracy from the UMRT algorithm and provides a practical 3-D two-Stokes parameter radiance solution with Jacobian to be used within microwave retrievals and data assimilation schemes. In addition, a fast forward radar reflectivity operator with Jacobian based on DDSCAT backscatter efficiency computed for large hydrometeors is incorporated into the HI-UMRT model to provide applicability to active radar sensors. The HI-UMRT will be validated strategically at two levels: 1) intercomparison of brightness temperature (Tb) results with those of several 1-D and 3-D RT models, including UMRT, CRTM and Monte Carlo models, 2) intercomparison of Tb with observed data from combined passive and active spaceborne sensors (e.g. GPM GMI and DPR). The precise expression for determining the required number of 3-D iterations to achieve an error bound on the perturbation solution will be developed to facilitate the numerical verification of the HI-UMRT code complexity and computation performance.

Pion-nucleon scattering in covariant baryon chiral perturbation theory with explicit Delta resonances

NASA Astrophysics Data System (ADS)

Yao, De-Liang; Siemens, D.; Bernard, V.; Epelbaum, E.; Gasparyan, A. M.; Gegelia, J.; Krebs, H.; Meißner, Ulf-G.

2016-05-01

We present the results of a third order calculation of the pion-nucleon scattering amplitude in a chiral effective field theory with pions, nucleons and delta resonances as explicit degrees of freedom. We work in a manifestly Lorentz invariant formulation of baryon chiral perturbation theory using dimensional regularization and the extended on-mass-shell renormalization scheme. In the delta resonance sector, the on mass-shell renormalization is realized as a complex-mass scheme. By fitting the low-energy constants of the effective Lagrangian to the S- and P -partial waves a satisfactory description of the phase shifts from the analysis of the Roy-Steiner equations is obtained. We predict the phase shifts for the D and F waves and compare them with the results of the analysis of the George Washington University group. The threshold parameters are calculated both in the delta-less and delta-full cases. Based on the determined low-energy constants, we discuss the pion-nucleon sigma term. Additionally, in order to determine the strangeness content of the nucleon, we calculate the octet baryon masses in the presence of decuplet resonances up to next-to-next-to-leading order in SU(3) baryon chiral perturbation theory. The octet baryon sigma terms are predicted as a byproduct of this calculation.

A Density Perturbation Method to Study the Eigenstructure of Two-Phase Flow Equation Systems

NASA Astrophysics Data System (ADS)

Cortes, J.; Debussche, A.; Toumi, I.

1998-12-01

Many interesting and challenging physical mechanisms are concerned with the mathematical notion of eigenstructure. In two-fluid models, complex phasic interactions yield a complex eigenstructure which may raise numerous problems in numerical simulations. In this paper, we develop a perturbation method to examine the eigenvalues and eigenvectors of two-fluid models. This original method, based on the stiffness of the density ratio, provides a convenient tool to study the relevance of pressure momentum interactions and allows us to get precise approximations of the whole flow eigendecomposition for minor requirements. Roe scheme is successfully implemented and some numerical tests are presented.

SMD-based numerical stochastic perturbation theory

NASA Astrophysics Data System (ADS)

Dalla Brida, Mattia; Lüscher, Martin

2017-05-01

The viability of a variant of numerical stochastic perturbation theory, where the Langevin equation is replaced by the SMD algorithm, is examined. In particular, the convergence of the process to a unique stationary state is rigorously established and the use of higher-order symplectic integration schemes is shown to be highly profitable in this context. For illustration, the gradient-flow coupling in finite volume with Schrödinger functional boundary conditions is computed to two-loop (i.e. NNL) order in the SU(3) gauge theory. The scaling behaviour of the algorithm turns out to be rather favourable in this case, which allows the computations to be driven close to the continuum limit.

A quantum perturbative pair distribution for determining interatomic potentials from extended x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Piazza, F.

2002-11-01

In this paper we develop a technique for determining interatomic potentials in materials in the quantum regime from single-shell extended x-ray absorption spectroscopy (EXAFS) spectra. We introduce a pair distribution function, based on ordinary quantum time-independent perturbation theory. In the proposed scheme, the model potential parameters enter the distribution through a fourth-order Taylor expansion of the potential, and are directly refined in the fit of the model signal to the experimental spectrum. We discuss in general the validity of our theoretical framework, namely the quantum regime and perturbative treatment, and work out a simple tool for monitoring the sensitivity of our theory in determining lattice anharmonicities based on the statistical F-test. As an example, we apply our formalism to an EXAFS spectrum at the Ag K edge of AgI at T = 77 K. We determine the Ag-I potential parameters and find good agreement with previous studies.

A new feedback image encryption scheme based on perturbation with dynamical compound chaotic sequence cipher generator

NASA Astrophysics Data System (ADS)

Tong, Xiaojun; Cui, Minggen; Wang, Zhu

2009-07-01

The design of the new compound two-dimensional chaotic function is presented by exploiting two one-dimensional chaotic functions which switch randomly, and the design is used as a chaotic sequence generator which is proved by Devaney's definition proof of chaos. The properties of compound chaotic functions are also proved rigorously. In order to improve the robustness against difference cryptanalysis and produce avalanche effect, a new feedback image encryption scheme is proposed using the new compound chaos by selecting one of the two one-dimensional chaotic functions randomly and a new image pixels method of permutation and substitution is designed in detail by array row and column random controlling based on the compound chaos. The results from entropy analysis, difference analysis, statistical analysis, sequence randomness analysis, cipher sensitivity analysis depending on key and plaintext have proven that the compound chaotic sequence cipher can resist cryptanalytic, statistical and brute-force attacks, and especially it accelerates encryption speed, and achieves higher level of security. By the dynamical compound chaos and perturbation technology, the paper solves the problem of computer low precision of one-dimensional chaotic function.

Solution of Fifth-order Korteweg and de Vries Equation by Homotopy perturbation Transform Method using He's Polynomial

NASA Astrophysics Data System (ADS)

Sharma, Dinkar; Singh, Prince; Chauhan, Shubha

2017-06-01

In this paper, a combined form of the Laplace transform method with the homotopy perturbation method is applied to solve nonlinear fifth order Korteweg de Vries (KdV) equations. The method is known as homotopy perturbation transform method (HPTM). The nonlinear terms can be easily handled by the use of He's polynomials. Two test examples are considered to illustrate the present scheme. Further the results are compared with Homotopy perturbation method (HPM).

Assessing the Tangent Linear Behaviour of Common Tracer Transport Schemes and Their Use in a Linearised Atmospheric General Circulation Model

NASA Technical Reports Server (NTRS)

Holdaway, Daniel; Kent, James

2015-01-01

The linearity of a selection of common advection schemes is tested and examined with a view to their use in the tangent linear and adjoint versions of an atmospheric general circulation model. The schemes are tested within a simple offline one-dimensional periodic domain as well as using a simplified and complete configuration of the linearised version of NASA's Goddard Earth Observing System version 5 (GEOS-5). All schemes which prevent the development of negative values and preserve the shape of the solution are confirmed to have nonlinear behaviour. The piecewise parabolic method (PPM) with certain flux limiters, including that used by default in GEOS-5, is found to support linear growth near the shocks. This property can cause the rapid development of unrealistically large perturbations within the tangent linear and adjoint models. It is shown that these schemes with flux limiters should not be used within the linearised version of a transport scheme. The results from tests using GEOS-5 show that the current default scheme (a version of PPM) is not suitable for the tangent linear and adjoint model, and that using a linear third-order scheme for the linearised model produces better behaviour. Using the third-order scheme for the linearised model improves the correlations between the linear and non-linear perturbation trajectories for cloud liquid water and cloud liquid ice in GEOS-5.

Numerical solutions of nonlinear STIFF initial value problems by perturbed functional iterations

NASA Technical Reports Server (NTRS)

Dey, S. K.

1982-01-01

Numerical solution of nonlinear stiff initial value problems by a perturbed functional iterative scheme is discussed. The algorithm does not fully linearize the system and requires only the diagonal terms of the Jacobian. Some examples related to chemical kinetics are presented.

Nanosecond-pulse-controlled higher-order sideband comb in a GaAs optomechanical disk resonator in the non-perturbative regime

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

Xiong, Hao, E-mail: haoxiong1217@gmail.com; Si, Liu-Gang, E-mail: siliugang@gmail.com; Lü, Xin-You

2014-10-15

We propose an interesting scheme for tunable high-order sideband comb generation by utilizing ultrastrong optomechanical interaction in a GaAs optomechanical disk resonator beyond the perturbative approximation. We analyze the nonlinear nature of the optomechanical interaction, and give a full description of the non-perturbative effects. It is shown, within the non-perturbative regime, that high-order sideband comb with large intensities can be realized and controlled in a GaAs optomechanical disk resonator with experimentally achievable system parameters, and the non-perturbative regime leads to rich and nontrivial behavior.

Constructive methods for the ground-state energy of fully interacting fermion gases

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

Aguilera Navarro, V.C.; Baker G.A. Jr.; Benofy, L.P.

1987-11-01

A perturbation scheme based not on the ideal gas but on a system of purely repulsive cores is applied to a typical fully interacting fermion gas. This is ''neutron matter'' interacting via (a) the repulsive ''Bethe homework-problem'' potential, (b) a hard-core--plus--square-well potential, and (c) the Baker-Hind-Kahane modification of the latter, suitable for describing a more accurate two-nucleon potential. Pade extrapolation techniques and generalizations thereof are employed to represent both the density dependence as well as the attractive coupling dependence of the perturbation expansion. Equations of state are constructed and compared with Jastrow--Monte Carlo calculations as well as expectations based onmore » semiempirical mass formulas. Excellent agreement is found with the latter.« less

Adaptive backstepping sliding mode control with fuzzy monitoring strategy for a kind of mechanical system.

PubMed

Song, Zhankui; Sun, Kaibiao

2014-01-01

A novel adaptive backstepping sliding mode control (ABSMC) law with fuzzy monitoring strategy is proposed for the tracking-control of a kind of nonlinear mechanical system. The proposed ABSMC scheme combining the sliding mode control and backstepping technique ensure that the occurrence of the sliding motion in finite-time and the trajectory of tracking-error converge to equilibrium point. To obtain a better perturbation rejection property, an adaptive control law is employed to compensate the lumped perturbation. Furthermore, we introduce fuzzy monitoring strategy to improve adaptive capacity and soften the control signal. The convergence and stability of the proposed control scheme are proved by using Lyaponov's method. Finally, numerical simulations demonstrate the effectiveness of the proposed control scheme. © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept

NASA Astrophysics Data System (ADS)

Chibani, Wael; Ren, Xinguo; Scheffler, Matthias; Rinke, Patrick

2016-04-01

We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here a unit cell or a supercell) with advanced electronic structure methods, that are computationally too expensive for periodic systems. The rest of the periodic system is treated with computationally less demanding approaches, e.g., Kohn-Sham density-functional theory, in a self-consistent manner. Our scheme is based on the concept of dynamical mean-field theory formulated in terms of Green's functions. Our real-space dynamical mean-field embedding scheme features two nested Dyson equations, one for the embedded cluster and another for the periodic surrounding. The total energy is computed from the resulting Green's functions. The performance of our scheme is demonstrated by treating the embedded region with hybrid functionals and many-body perturbation theory in the GW approach for simple bulk systems. The total energy and the density of states converge rapidly with respect to the computational parameters and approach their bulk limit with increasing cluster (i.e., computational supercell) size.

Application of an improved Nelson-Nguyen analysis to eccentric, arbitrary profile liquid annular seals

NASA Technical Reports Server (NTRS)

Padavala, Satyasrinivas; Palazzolo, Alan B.; Vallely, Pat; Ryan, Steve

1994-01-01

An improved dynamic analysis for liquid annular seals with arbitrary profile based on a method, first proposed by Nelson and Nguyen, is presented. An improved first order solution that incorporates a continuous interpolation of perturbed quantities in the circumferential direction, is presented. The original method uses an approximation scheme for circumferential gradients, based on Fast Fourier Transforms (FFT). A simpler scheme based on cubic splines is found to be computationally more efficient with better convergence at higher eccentricities. A new approach of computing dynamic coefficients based on external specified load is introduced. This improved analysis is extended to account for arbitrarily varying seal profile in both axial and circumferential directions. An example case of an elliptical seal with varying degrees of axial curvature is analyzed. A case study based on actual operating clearances of an interstage seal of the Space Shuttle Main Engine High Pressure Oxygen Turbopump is presented.

Sensitivity of Optimal Solutions to Control Problems for Second Order Evolution Subdifferential Inclusions.

PubMed

Bartosz, Krzysztof; Denkowski, Zdzisław; Kalita, Piotr

In this paper the sensitivity of optimal solutions to control problems described by second order evolution subdifferential inclusions under perturbations of state relations and of cost functionals is investigated. First we establish a new existence result for a class of such inclusions. Then, based on the theory of sequential [Formula: see text]-convergence we recall the abstract scheme concerning convergence of minimal values and minimizers. The abstract scheme works provided we can establish two properties: the Kuratowski convergence of solution sets for the state relations and some complementary [Formula: see text]-convergence of the cost functionals. Then these two properties are implemented in the considered case.

Multi-Level Adaptive Techniques (MLAT) for singular-perturbation problems

NASA Technical Reports Server (NTRS)

Brandt, A.

1978-01-01

The multilevel (multigrid) adaptive technique, a general strategy of solving continuous problems by cycling between coarser and finer levels of discretization is described. It provides very fast general solvers, together with adaptive, nearly optimal discretization schemes. In the process, boundary layers are automatically either resolved or skipped, depending on a control function which expresses the computational goal. The global error decreases exponentially as a function of the overall computational work, in a uniform rate independent of the magnitude of the singular-perturbation terms. The key is high-order uniformly stable difference equations, and uniformly smoothing relaxation schemes.

Using Perturbative Least Action to Reconstruct Redshift-Space Distortions

NASA Astrophysics Data System (ADS)

Goldberg, David M.

2001-05-01

In this paper, we present a redshift-space reconstruction scheme that is analogous to and extends the perturbative least action (PLA) method described by Goldberg & Spergel. We first show that this scheme is effective in reconstructing even nonlinear observations. We then suggest that by varying the cosmology to minimize the quadrupole moment of a reconstructed density field, it may be possible to lower the error bars on the redshift distortion parameter, β, as well as to break the degeneracy between the linear bias parameter, b, and ΩM. Finally, we discuss how PLA might be applied to realistic redshift surveys.

Precise MS light-quark masses from lattice QCD in the regularization invariant symmetric momentum-subtraction scheme

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

Gorbahn, Martin; Jaeger, Sebastian; Department of Physics and Astronomy, University of Sussex, Falmer, Brighton BN1 9QH

2010-12-01

We compute the conversion factors needed to obtain the MS and renormalization-group-invariant (RGI) up, down, and strange quark masses at next-to-next-to-leading order from the corresponding parameters renormalized in the recently proposed RI/SMOM and RI/SMOM{sub {gamma}{sub {mu}} }renormalization schemes. This is important for obtaining the MS masses with the best possible precision from numerical lattice QCD simulations, because the customary RI{sup (')}/MOM scheme is afflicted with large irreducible uncertainties both on the lattice and in perturbation theory. We find that the smallness of the known one-loop matching coefficients is accompanied by even smaller two-loop contributions. From a study of residual scalemore » dependences, we estimate the resulting perturbative uncertainty on the light-quark masses to be about 2% in the RI/SMOM scheme and about 3% in the RI/SMOM{sub {gamma}{sub {mu}} }scheme. Our conversion factors are given in fully analytic form, for general covariant gauge and renormalization point. We provide expressions for the associated anomalous dimensions.« less

Impact of Representing Model Error in a Hybrid Ensemble-Variational Data Assimilation System for Track Forecast of Tropical Cyclones over the Bay of Bengal

NASA Astrophysics Data System (ADS)

Kutty, Govindan; Muraleedharan, Rohit; Kesarkar, Amit P.

2018-03-01

Uncertainties in the numerical weather prediction models are generally not well-represented in ensemble-based data assimilation (DA) systems. The performance of an ensemble-based DA system becomes suboptimal, if the sources of error are undersampled in the forecast system. The present study examines the effect of accounting for model error treatments in the hybrid ensemble transform Kalman filter—three-dimensional variational (3DVAR) DA system (hybrid) in the track forecast of two tropical cyclones viz. Hudhud and Thane, formed over the Bay of Bengal, using Advanced Research Weather Research and Forecasting (ARW-WRF) model. We investigated the effect of two types of model error treatment schemes and their combination on the hybrid DA system; (i) multiphysics approach, which uses different combination of cumulus, microphysics and planetary boundary layer schemes, (ii) stochastic kinetic energy backscatter (SKEB) scheme, which perturbs the horizontal wind and potential temperature tendencies, (iii) a combination of both multiphysics and SKEB scheme. Substantial improvements are noticed in the track positions of both the cyclones, when flow-dependent ensemble covariance is used in 3DVAR framework. Explicit model error representation is found to be beneficial in treating the underdispersive ensembles. Among the model error schemes used in this study, a combination of multiphysics and SKEB schemes has outperformed the other two schemes with improved track forecast for both the tropical cyclones.

Multidirectional In Vivo Characterization of Skin Using Wiener Nonlinear Stochastic System Identification Techniques.

PubMed

Parker, Matthew D; Jones, Lynette A; Hunter, Ian W; Taberner, A J; Nash, M P; Nielsen, P M F

2017-01-01

A triaxial force-sensitive microrobot was developed to dynamically perturb skin in multiple deformation modes, in vivo. Wiener static nonlinear identification was used to extract the linear dynamics and static nonlinearity of the force-displacement behavior of skin. Stochastic input forces were applied to the volar forearm and thenar eminence of the hand, producing probe tip perturbations in indentation and tangential extension. Wiener static nonlinear approaches reproduced the resulting displacements with variances accounted for (VAF) ranging 94-97%, indicating a good fit to the data. These approaches provided VAF improvements of 0.1-3.4% over linear models. Thenar eminence stiffness measures were approximately twice those measured on the forearm. Damping was shown to be significantly higher on the palm, whereas the perturbed mass typically was lower. Coefficients of variation (CVs) for nonlinear parameters were assessed within and across individuals. Individual CVs ranged from 2% to 11% for indentation and from 2% to 19% for extension. Stochastic perturbations with incrementally increasing mean amplitudes were applied to the same test areas. Differences between full-scale and incremental reduced-scale perturbations were investigated. Different incremental preloading schemes were investigated. However, no significant difference in parameters was found between different incremental preloading schemes. Incremental schemes provided depth-dependent estimates of stiffness and damping, ranging from 300 N/m and 2 Ns/m, respectively, at the surface to 5 kN/m and 50 Ns/m at greater depths. The device and techniques used in this research have potential applications in areas, such as evaluating skincare products, assessing skin hydration, or analyzing wound healing.

Production of a Beam of Highly Vibrationally Excited CO Using Perturbations

NASA Astrophysics Data System (ADS)

Bartels, N.; Schäfer, T.; Hühnert, J.; Wodtke, A. M.; Field, R. W.

2012-06-01

For many experimentalists (especially those, who are not spectroscopists), molecular pertubations are a curse, as they make assignments and analysis of spectral data more difficult. Nevertheless, they can also be a boon! In this talk we will show how a molecular beam of CO in high vibrational states (v=17,18) can be prepared by an optical pumping scheme that we call PUMP-PUMP-PERTURB and DUMP (P^3D). P^3D exploits the loaning, via spin-orbit perturbations, of the large oscillator strength of the 4th positive system, A ^1 π ← X ^1 Σ ^+, to the triplet manifold. This allows some nominally spin-forbidden transitions to be exploited in multistep optical pumping schemes. The ability to {state-selectively} prepare CO in high vibrational states opens up new opportunities for molecular beam scattering experiments.

A non-axisymmetric linearized supersonic wave drag analysis: Mathematical theory

NASA Technical Reports Server (NTRS)

Barnhart, Paul J.

1996-01-01

A Mathematical theory is developed to perform the calculations necessary to determine the wave drag for slender bodies of non-circular cross section. The derivations presented in this report are based on extensions to supersonic linearized small perturbation theory. A numerical scheme is presented utilizing Fourier decomposition to compute the pressure coefficient on and about a slender body of arbitrary cross section.

Addressing model error through atmospheric stochastic physical parametrizations: impact on the coupled ECMWF seasonal forecasting system

PubMed Central

Weisheimer, Antje; Corti, Susanna; Palmer, Tim; Vitart, Frederic

2014-01-01

The finite resolution of general circulation models of the coupled atmosphere–ocean system and the effects of sub-grid-scale variability present a major source of uncertainty in model simulations on all time scales. The European Centre for Medium-Range Weather Forecasts has been at the forefront of developing new approaches to account for these uncertainties. In particular, the stochastically perturbed physical tendency scheme and the stochastically perturbed backscatter algorithm for the atmosphere are now used routinely for global numerical weather prediction. The European Centre also performs long-range predictions of the coupled atmosphere–ocean climate system in operational forecast mode, and the latest seasonal forecasting system—System 4—has the stochastically perturbed tendency and backscatter schemes implemented in a similar way to that for the medium-range weather forecasts. Here, we present results of the impact of these schemes in System 4 by contrasting the operational performance on seasonal time scales during the retrospective forecast period 1981–2010 with comparable simulations that do not account for the representation of model uncertainty. We find that the stochastic tendency perturbation schemes helped to reduce excessively strong convective activity especially over the Maritime Continent and the tropical Western Pacific, leading to reduced biases of the outgoing longwave radiation (OLR), cloud cover, precipitation and near-surface winds. Positive impact was also found for the statistics of the Madden–Julian oscillation (MJO), showing an increase in the frequencies and amplitudes of MJO events. Further, the errors of El Niño southern oscillation forecasts become smaller, whereas increases in ensemble spread lead to a better calibrated system if the stochastic tendency is activated. The backscatter scheme has overall neutral impact. Finally, evidence for noise-activated regime transitions has been found in a cluster analysis of mid-latitude circulation regimes over the Pacific–North America region. PMID:24842026

Addressing model error through atmospheric stochastic physical parametrizations: impact on the coupled ECMWF seasonal forecasting system.

PubMed

Weisheimer, Antje; Corti, Susanna; Palmer, Tim; Vitart, Frederic

2014-06-28

The finite resolution of general circulation models of the coupled atmosphere-ocean system and the effects of sub-grid-scale variability present a major source of uncertainty in model simulations on all time scales. The European Centre for Medium-Range Weather Forecasts has been at the forefront of developing new approaches to account for these uncertainties. In particular, the stochastically perturbed physical tendency scheme and the stochastically perturbed backscatter algorithm for the atmosphere are now used routinely for global numerical weather prediction. The European Centre also performs long-range predictions of the coupled atmosphere-ocean climate system in operational forecast mode, and the latest seasonal forecasting system--System 4--has the stochastically perturbed tendency and backscatter schemes implemented in a similar way to that for the medium-range weather forecasts. Here, we present results of the impact of these schemes in System 4 by contrasting the operational performance on seasonal time scales during the retrospective forecast period 1981-2010 with comparable simulations that do not account for the representation of model uncertainty. We find that the stochastic tendency perturbation schemes helped to reduce excessively strong convective activity especially over the Maritime Continent and the tropical Western Pacific, leading to reduced biases of the outgoing longwave radiation (OLR), cloud cover, precipitation and near-surface winds. Positive impact was also found for the statistics of the Madden-Julian oscillation (MJO), showing an increase in the frequencies and amplitudes of MJO events. Further, the errors of El Niño southern oscillation forecasts become smaller, whereas increases in ensemble spread lead to a better calibrated system if the stochastic tendency is activated. The backscatter scheme has overall neutral impact. Finally, evidence for noise-activated regime transitions has been found in a cluster analysis of mid-latitude circulation regimes over the Pacific-North America region.

A fast and accurate method for perturbative resummation of transverse momentum-dependent observables

NASA Astrophysics Data System (ADS)

Kang, Daekyoung; Lee, Christopher; Vaidya, Varun

2018-04-01

We propose a novel strategy for the perturbative resummation of transverse momentum-dependent (TMD) observables, using the q T spectra of gauge bosons ( γ ∗, Higgs) in pp collisions in the regime of low (but perturbative) transverse momentum q T as a specific example. First we introduce a scheme to choose the factorization scale for virtuality in momentum space instead of in impact parameter space, allowing us to avoid integrating over (or cutting off) a Landau pole in the inverse Fourier transform of the latter to the former. The factorization scale for rapidity is still chosen as a function of impact parameter b, but in such a way designed to obtain a Gaussian form (in ln b) for the exponentiated rapidity evolution kernel, guaranteeing convergence of the b integral. We then apply this scheme to obtain the q T spectra for Drell-Yan and Higgs production at NNLL accuracy. In addition, using this scheme we are able to obtain a fast semi-analytic formula for the perturbative resummed cross sections in momentum space: analytic in its dependence on all physical variables at each order of logarithmic accuracy, up to a numerical expansion for the pure mathematical Bessel function in the inverse Fourier transform that needs to be performed just once for all observables and kinematics, to any desired accuracy.

A fast and accurate method for perturbative resummation of transverse momentum-dependent observables

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

Kang, Daekyoung; Lee, Christopher; Vaidya, Varun

Here, we propose a novel strategy for the perturbative resummation of transverse momentum-dependent (TMD) observables, using the q T spectra of gauge bosons (γ*, Higgs) in pp collisions in the regime of low (but perturbative) transverse momentum q T as a specific example. First we introduce a scheme to choose the factorization scale for virtuality in momentum space instead of in impact parameter space, allowing us to avoid integrating over (or cutting off) a Landau pole in the inverse Fourier transform of the latter to the former. The factorization scale for rapidity is still chosen as a function of impactmore » parameter b, but in such a way designed to obtain a Gaussian form (in ln b) for the exponentiated rapidity evolution kernel, guaranteeing convergence of the b integral. We then apply this scheme to obtain the q T spectra for Drell-Yan and Higgs production at NNLL accuracy. In addition, using this scheme we are able to obtain a fast semi-analytic formula for the perturbative resummed cross sections in momentum space: analytic in its dependence on all physical variables at each order of logarithmic accuracy, up to a numerical expansion for the pure mathematical Bessel function in the inverse Fourier transform that needs to be performed just once for all observables and kinematics, to any desired accuracy.« less

A fast and accurate method for perturbative resummation of transverse momentum-dependent observables

DOE PAGES

Kang, Daekyoung; Lee, Christopher; Vaidya, Varun

2018-04-27

Here, we propose a novel strategy for the perturbative resummation of transverse momentum-dependent (TMD) observables, using the q T spectra of gauge bosons (γ*, Higgs) in pp collisions in the regime of low (but perturbative) transverse momentum q T as a specific example. First we introduce a scheme to choose the factorization scale for virtuality in momentum space instead of in impact parameter space, allowing us to avoid integrating over (or cutting off) a Landau pole in the inverse Fourier transform of the latter to the former. The factorization scale for rapidity is still chosen as a function of impactmore » parameter b, but in such a way designed to obtain a Gaussian form (in ln b) for the exponentiated rapidity evolution kernel, guaranteeing convergence of the b integral. We then apply this scheme to obtain the q T spectra for Drell-Yan and Higgs production at NNLL accuracy. In addition, using this scheme we are able to obtain a fast semi-analytic formula for the perturbative resummed cross sections in momentum space: analytic in its dependence on all physical variables at each order of logarithmic accuracy, up to a numerical expansion for the pure mathematical Bessel function in the inverse Fourier transform that needs to be performed just once for all observables and kinematics, to any desired accuracy.« less

Detection of Explosives Using Differential Laser-Induced Perturbation Spectroscopy with a Raman-based Probe.

PubMed

Oztekin, Erman K; Burton, Dallas J; Hahn, David W

2016-04-01

Explosives detection is carried out with a novel spectral analysis technique referred to as differential laser-induced perturbation spectroscopy (DLIPS) on thin films of TNT, RDX, HMX, and PETN. The utility of Raman spectroscopy for detection of explosives is enhanced by inducing deep ultraviolet laser perturbation on molecular structures in combination with a differential Raman sensing scheme. Principal components analysis (PCA) is used to quantify the DLIPS method as benchmarked against a traditional Raman scattering probe, and the related photo-induced effects on the molecular structure of the targeted explosives are discussed in detail. Finally, unique detection is observed with TNT samples deposited on commonly available background substrates of nylon and polyester. Overall, the data support DLIPS as a noninvasive method that is promising for screening explosives in real-world environments and backgrounds. © The Author(s) 2016.

Practical scheme for optimal measurement in quantum interferometric devices

NASA Astrophysics Data System (ADS)

Takeoka, Masahiro; Ban, Masashi; Sasaki, Masahide

2003-06-01

We apply a Kennedy-type detection scheme, which was originally proposed for a binary communications system, to interferometric sensing devices. We show that the minimum detectable perturbation of the proposed system reaches the ultimate precision bound which is predicted by quantum Neyman-Pearson hypothesis testing. To provide concrete examples, we apply our interferometric scheme to phase shift detection by using coherent and squeezed probe fields.

Intelligent control of non-linear dynamical system based on the adaptive neurocontroller

NASA Astrophysics Data System (ADS)

Engel, E.; Kovalev, I. V.; Kobezhicov, V.

2015-10-01

This paper presents an adaptive neuro-controller for intelligent control of non-linear dynamical system. The formed as the fuzzy selective neural net the adaptive neuro-controller on the base of system's state, creates the effective control signal under random perturbations. The validity and advantages of the proposed adaptive neuro-controller are demonstrated by numerical simulations. The simulation results show that the proposed controller scheme achieves real-time control speed and the competitive performance, as compared to PID, fuzzy logic controllers.

Numerical binary black hole mergers in dynamical Chern-Simons gravity: Scalar field

NASA Astrophysics Data System (ADS)

Okounkova, Maria; Stein, Leo C.; Scheel, Mark A.; Hemberger, Daniel A.

2017-08-01

Testing general relativity in the nonlinear, dynamical, strong-field regime of gravity is one of the major goals of gravitational wave astrophysics. Performing precision tests of general relativity (GR) requires numerical inspiral, merger, and ringdown waveforms for binary black hole (BBH) systems in theories beyond GR. Currently, GR and scalar-tensor gravity are the only theories amenable to numerical simulations. In this article, we present a well-posed perturbation scheme for numerically integrating beyond-GR theories that have a continuous limit to GR. We demonstrate this scheme by simulating BBH mergers in dynamical Chern-Simons gravity (dCS), to linear order in the perturbation parameter. We present mode waveforms and energy fluxes of the dCS pseudoscalar field from our numerical simulations. We find good agreement with analytic predictions at early times, including the absence of pseudoscalar dipole radiation. We discover new phenomenology only accessible through numerics: a burst of dipole radiation during merger. We also quantify the self-consistency of the perturbation scheme. Finally, we estimate bounds that GR-consistent LIGO detections could place on the new dCS length scale, approximately ℓ≲O (10 ) km .

Numerical solution to generalized Burgers'-Fisher equation using Exp-function method hybridized with heuristic computation.

PubMed

Malik, Suheel Abdullah; Qureshi, Ijaz Mansoor; Amir, Muhammad; Malik, Aqdas Naveed; Haq, Ihsanul

2015-01-01

In this paper, a new heuristic scheme for the approximate solution of the generalized Burgers'-Fisher equation is proposed. The scheme is based on the hybridization of Exp-function method with nature inspired algorithm. The given nonlinear partial differential equation (NPDE) through substitution is converted into a nonlinear ordinary differential equation (NODE). The travelling wave solution is approximated by the Exp-function method with unknown parameters. The unknown parameters are estimated by transforming the NODE into an equivalent global error minimization problem by using a fitness function. The popular genetic algorithm (GA) is used to solve the minimization problem, and to achieve the unknown parameters. The proposed scheme is successfully implemented to solve the generalized Burgers'-Fisher equation. The comparison of numerical results with the exact solutions, and the solutions obtained using some traditional methods, including adomian decomposition method (ADM), homotopy perturbation method (HPM), and optimal homotopy asymptotic method (OHAM), show that the suggested scheme is fairly accurate and viable for solving such problems.

Numerical Solution to Generalized Burgers'-Fisher Equation Using Exp-Function Method Hybridized with Heuristic Computation

PubMed Central

Malik, Suheel Abdullah; Qureshi, Ijaz Mansoor; Amir, Muhammad; Malik, Aqdas Naveed; Haq, Ihsanul

2015-01-01

In this paper, a new heuristic scheme for the approximate solution of the generalized Burgers'-Fisher equation is proposed. The scheme is based on the hybridization of Exp-function method with nature inspired algorithm. The given nonlinear partial differential equation (NPDE) through substitution is converted into a nonlinear ordinary differential equation (NODE). The travelling wave solution is approximated by the Exp-function method with unknown parameters. The unknown parameters are estimated by transforming the NODE into an equivalent global error minimization problem by using a fitness function. The popular genetic algorithm (GA) is used to solve the minimization problem, and to achieve the unknown parameters. The proposed scheme is successfully implemented to solve the generalized Burgers'-Fisher equation. The comparison of numerical results with the exact solutions, and the solutions obtained using some traditional methods, including adomian decomposition method (ADM), homotopy perturbation method (HPM), and optimal homotopy asymptotic method (OHAM), show that the suggested scheme is fairly accurate and viable for solving such problems. PMID:25811858

Effects of Mesh Irregularities on Accuracy of Finite-Volume Discretization Schemes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2012-01-01

The effects of mesh irregularities on accuracy of unstructured node-centered finite-volume discretizations are considered. The focus is on an edge-based approach that uses unweighted least-squares gradient reconstruction with a quadratic fit. For inviscid fluxes, the discretization is nominally third order accurate on general triangular meshes. For viscous fluxes, the scheme is an average-least-squares formulation that is nominally second order accurate and contrasted with a common Green-Gauss discretization scheme. Gradient errors, truncation errors, and discretization errors are separately studied according to a previously introduced comprehensive methodology. The methodology considers three classes of grids: isotropic grids in a rectangular geometry, anisotropic grids typical of adapted grids, and anisotropic grids over a curved surface typical of advancing layer grids. The meshes within the classes range from regular to extremely irregular including meshes with random perturbation of nodes. Recommendations are made concerning the discretization schemes that are expected to be least sensitive to mesh irregularities in applications to turbulent flows in complex geometries.

Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory.

PubMed

Schweigert, Igor V; Bartlett, Rodney J

2008-09-28

Adding a fraction of the nonlocal exchange operator to the local orbital-dependent exchange potential improves the many-body perturbation expansion based on the Kohn-Sham determinant. The effect of such a hybrid scheme on the performance of the orbital-dependent correlation functional from the second-order perturbation theory (PT2H) is investigated numerically. A small fraction of the nonlocal exchange is often sufficient to ensure the existence of the self-consistent solution for the PT2H potential. In the He and Be atoms, including 37% of the nonlocal exchange leads to the correlation energies and electronic densities that are very close to the exact ones. In molecules, varying the fraction of the nonlocal exchange may result in the PT2H energy closely reproducing the CCSD(T) value; however such a fraction depends on the system and does not always result in an accurate electronic density. We also numerically verify that the "semicanonical" perturbation series includes most of the beneficial effects of the nonlocal exchange without sacrificing the locality of the exchange potential.

Effective Fragment Potential Method for H-Bonding: How To Obtain Parameters for Nonrigid Fragments.

PubMed

Dubinets, Nikita; Slipchenko, Lyudmila V

2017-07-20

Accuracy of the effective fragment potential (EFP) method was explored for describing intermolecular interaction energies in three dimers with strong H-bonded interactions, formic acid, formamide, and formamidine dimers, which are a part of HBC6 database of noncovalent interactions. Monomer geometries in these dimers change significantly as a function of intermonomer separation. Several EFP schemes were considered, in which fragment parameters were prepared for a fragment in its gas-phase geometry or recomputed for each unique fragment geometry. Additionally, a scheme in which gas-phase fragment parameters are shifted according to relaxed fragment geometries is introduced and tested. EFP data are compared against the coupled cluster with single, double, and perturbative triple excitations (CCSD(T)) method in a complete basis set (CBS) and the symmetry adapted perturbation theory (SAPT). All considered EFP schemes provide a good agreement with CCSD(T)/CBS for binding energies at equilibrium separations, with discrepancies not exceeding 2 kcal/mol. However, only the schemes that utilize relaxed fragment geometries remain qualitatively correct at shorter than equilibrium intermolecular distances. The EFP scheme with shifted parameters behaves quantitatively similar to the scheme in which parameters are recomputed for each monomer geometry and thus is recommended as a computationally efficient approach for large-scale EFP simulations of flexible systems.

Millimeter-wave optical double resonance schemes for rapid assignment of perturbed spectra, with applications to the C{sup ~} {sup 1}B{sub 2} state of SO{sub 2}

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

Park, G. Barratt, E-mail: barratt@mit.edu, E-mail: barratt.park@gmail.com; Womack, Caroline C.; Jiang, Jun

2015-04-14

Millimeter-wave detected, millimeter-wave optical double resonance (mmODR) spectroscopy is a powerful tool for the analysis of dense, complicated regions in the optical spectra of small molecules. The availability of cavity-free microwave and millimeter wave spectrometers with frequency-agile generation and detection of radiation (required for chirped-pulse Fourier-transform spectroscopy) opens up new schemes for double resonance experiments. We demonstrate a multiplexed population labeling scheme for rapid acquisition of double resonance spectra, probing multiple rotational transitions simultaneously. We also demonstrate a millimeter-wave implementation of the coherence-converted population transfer scheme for background-free mmODR, which provides a ∼10-fold sensitivity improvement over the population labeling scheme.more » We analyze perturbations in the C{sup ~} state of SO{sub 2}, and we rotationally assign a b{sub 2} vibrational level at 45 328 cm{sup −1} that borrows intensity via a c-axis Coriolis interaction. We also demonstrate the effectiveness of our multiplexed mmODR scheme for rapid acquisition and assignment of three predissociated vibrational levels of the C{sup ~} state of SO{sub 2} between 46 800 and 47 650 cm{sup −1}.« less

An analysis of USSPACECOM's space surveillance network sensor tasking methodology

NASA Astrophysics Data System (ADS)

Berger, Jeff M.; Moles, Joseph B.; Wilsey, David G.

1992-12-01

This study provides the basis for the development of a cost/benefit assessment model to determine the effects of alterations to the Space Surveillance Network (SSN) on orbital element (OE) set accuracy. It provides a review of current methods used by NORAD and the SSN to gather and process observations, an alternative to the current Gabbard classification method, and the development of a model to determine the effects of observation rate and correction interval on OE set accuracy. The proposed classification scheme is based on satellite J2 perturbations. Specifically, classes were established based on mean motion, eccentricity, and inclination since J2 perturbation effects are functions of only these elements. Model development began by creating representative sensor observations using a highly accurate orbital propagation model. These observations were compared to predicted observations generated using the NORAD Simplified General Perturbation (SGP4) model and differentially corrected using a Bayes, sequential estimation, algorithm. A 10-run Monte Carlo analysis was performed using this model on 12 satellites using 16 different observation rate/correction interval combinations. An ANOVA and confidence interval analysis of the results show that this model does demonstrate the differences in steady state position error based on varying observation rate and correction interval.

Renormalization group invariance and optimal QCD renormalization scale-setting: a key issues review.

PubMed

Wu, Xing-Gang; Ma, Yang; Wang, Sheng-Quan; Fu, Hai-Bing; Ma, Hong-Hao; Brodsky, Stanley J; Mojaza, Matin

2015-12-01

A valid prediction for a physical observable from quantum field theory should be independent of the choice of renormalization scheme--this is the primary requirement of renormalization group invariance (RGI). Satisfying scheme invariance is a challenging problem for perturbative QCD (pQCD), since a truncated perturbation series does not automatically satisfy the requirements of the renormalization group. In a previous review, we provided a general introduction to the various scale setting approaches suggested in the literature. As a step forward, in the present review, we present a discussion in depth of two well-established scale-setting methods based on RGI. One is the 'principle of maximum conformality' (PMC) in which the terms associated with the β-function are absorbed into the scale of the running coupling at each perturbative order; its predictions are scheme and scale independent at every finite order. The other approach is the 'principle of minimum sensitivity' (PMS), which is based on local RGI; the PMS approach determines the optimal renormalization scale by requiring the slope of the approximant of an observable to vanish. In this paper, we present a detailed comparison of the PMC and PMS procedures by analyzing two physical observables R(e+e-) and [Formula: see text] up to four-loop order in pQCD. At the four-loop level, the PMC and PMS predictions for both observables agree within small errors with those of conventional scale setting assuming a physically-motivated scale, and each prediction shows small scale dependences. However, the convergence of the pQCD series at high orders, behaves quite differently: the PMC displays the best pQCD convergence since it eliminates divergent renormalon terms; in contrast, the convergence of the PMS prediction is questionable, often even worse than the conventional prediction based on an arbitrary guess for the renormalization scale. PMC predictions also have the property that any residual dependence on the choice of initial scale is highly suppressed even for low-order predictions. Thus the PMC, based on the standard RGI, has a rigorous foundation; it eliminates an unnecessary systematic error for high precision pQCD predictions and can be widely applied to virtually all high-energy hadronic processes, including multi-scale problems.

A far-field non-reflecting boundary condition for two-dimensional wake flows

NASA Technical Reports Server (NTRS)

Danowitz, Jeffrey S.; Abarbanel, Saul A.; Turkel, Eli

1995-01-01

Far-field boundary conditions for external flow problems have been developed based upon long-wave perturbations of linearized flow equations about a steady state far field solution. The boundary improves convergence to steady state in single-grid temporal integration schemes using both regular-time-stepping and local-time-stepping. The far-field boundary may be near the trailing edge of the body which significantly reduces the number of grid points, and therefore the computational time, in the numerical calculation. In addition the solution produced is smoother in the far-field than when using extrapolation conditions. The boundary condition maintains the convergence rate to steady state in schemes utilizing multigrid acceleration.

Driven similarity renormalization group: Third-order multireference perturbation theory.

PubMed

Li, Chenyang; Evangelista, Francesco A

2017-03-28

A third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6 ) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2 , H 2 O 2 , C 2 H 6 , and N 2 along the F-F, O-O, C-C, and N-N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbation theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST =E T -E S ) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol -1 , a value that is within 0.1 kcal mol -1 from multireference coupled cluster results.

IMF By effects on ground magnetometer response to increased solar wind dynamic pressure derived from global MHD simulations

NASA Astrophysics Data System (ADS)

Ozturk, Dogacan Su; Zou, Shasha; Slavin, James A.

2017-05-01

During sudden solar wind dynamic pressure enhancements, the magnetosphere undergoes rapid compression resulting in a reconfiguration of the global current systems, most notably the field-aligned currents (FACs). Ground-based magnetometers are traditionally used to study such compression events. However, factors affecting the polarity and magnitude of the ground-based magnetic perturbations are still not well understood. In particular, interplanetary magnetic field (IMF) By is known to create significant asymmetries in the FAC patterns. We use the University of Michigan Block Adaptive Tree Roe Upwind Scheme (BATS'R'US) magnetohydrodynamic code to investigate the effects of IMF By on the global variations of ground magnetic perturbations during solar wind dynamic pressure enhancements. Using virtual magnetometers in three idealized simulations with varying IMF By, we find asymmetries in the peak amplitude and magnetic local time of the ground magnetic perturbations during the preliminary impulse (PI) and the main impulse (MI) phases. These asymmetries are especially evident at high-latitude ground magnetometer responses where the peak amplitudes differ by 50 nT at different locations. We show that the FACs related with the PI are due to magnetopause deformation, and the FACs related with the MI are generated by vortical flows within the magnetosphere, consistent with other simulation results. The perturbation FACs due to pressure enhancements and their magnetospheric sources do not differ much under different IMF By polarities. However, the conductance profile affected by the superposition of the preexisting FACs and the perturbation FACs including their closure currents is responsible for the magnitude and location asymmetries in the ground magnetic perturbations.

A Comprehensive Comparison of Multiparty Secure Additions with Differential Privacy

PubMed Central

Goryczka, Slawomir; Xiong, Li

2016-01-01

This paper considers the problem of secure data aggregation (mainly summation) in a distributed setting, while ensuring differential privacy of the result. We study secure multiparty addition protocols using well known security schemes: Shamir’s secret sharing, perturbation-based, and various encryptions. We supplement our study with our new enhanced encryption scheme EFT, which is efficient and fault tolerant. Differential privacy of the final result is achieved by either distributed Laplace or Geometric mechanism (respectively DLPA or DGPA), while approximated differential privacy is achieved by diluted mechanisms. Distributed random noise is generated collectively by all participants, which draw random variables from one of several distributions: Gamma, Gauss, Geometric, or their diluted versions. We introduce a new distributed privacy mechanism with noise drawn from the Laplace distribution, which achieves smaller redundant noise with efficiency. We compare complexity and security characteristics of the protocols with different differential privacy mechanisms and security schemes. More importantly, we implemented all protocols and present an experimental comparison on their performance and scalability in a real distributed environment. Based on the evaluations, we identify our security scheme and Laplace DLPA as the most efficient for secure distributed data aggregation with privacy. PMID:28919841

A Comprehensive Comparison of Multiparty Secure Additions with Differential Privacy.

PubMed

Goryczka, Slawomir; Xiong, Li

2017-01-01

This paper considers the problem of secure data aggregation (mainly summation) in a distributed setting, while ensuring differential privacy of the result. We study secure multiparty addition protocols using well known security schemes: Shamir's secret sharing, perturbation-based, and various encryptions. We supplement our study with our new enhanced encryption scheme EFT, which is efficient and fault tolerant. Differential privacy of the final result is achieved by either distributed Laplace or Geometric mechanism (respectively DLPA or DGPA), while approximated differential privacy is achieved by diluted mechanisms. Distributed random noise is generated collectively by all participants, which draw random variables from one of several distributions: Gamma, Gauss, Geometric, or their diluted versions. We introduce a new distributed privacy mechanism with noise drawn from the Laplace distribution, which achieves smaller redundant noise with efficiency. We compare complexity and security characteristics of the protocols with different differential privacy mechanisms and security schemes. More importantly, we implemented all protocols and present an experimental comparison on their performance and scalability in a real distributed environment. Based on the evaluations, we identify our security scheme and Laplace DLPA as the most efficient for secure distributed data aggregation with privacy.

Combining electromagnetic gyro-kinetic particle-in-cell simulations with collisions

NASA Astrophysics Data System (ADS)

Slaby, Christoph; Kleiber, Ralf; Könies, Axel

2017-09-01

It has been an open question whether for electromagnetic gyro-kinetic particle-in-cell (PIC) simulations pitch-angle collisions and the recently introduced pullback transformation scheme (Mishchenko et al., 2014; Kleiber et al., 2016) are consistent. This question is positively answered by comparing the PIC code EUTERPE with an approach based on an expansion of the perturbed distribution function in eigenfunctions of the pitch-angle collision operator (Legendre polynomials) to solve the electromagnetic drift-kinetic equation with collisions in slab geometry. It is shown how both approaches yield the same results for the frequency and damping rate of a kinetic Alfvén wave and how the perturbed distribution function is substantially changed by the presence of pitch-angle collisions.

Feynman perturbation expansion for the price of coupon bond options and swaptions in quantum finance. I. Theory

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.

2007-01-01

European options on coupon bonds are studied in a quantum field theory model of forward interest rates. Swaptions are briefly reviewed. An approximation scheme for the coupon bond option price is developed based on the fact that the volatility of the forward interest rates is a small quantity. The field theory for the forward interest rates is Gaussian, but when the payoff function for the coupon bond option is included it makes the field theory nonlocal and nonlinear. A perturbation expansion using Feynman diagrams gives a closed form approximation for the price of coupon bond option. A special case of the approximate bond option is shown to yield the industry standard one-factor HJM formula with exponential volatility.

Feynman perturbation expansion for the price of coupon bond options and swaptions in quantum finance. I. Theory.

PubMed

Baaquie, Belal E

2007-01-01

European options on coupon bonds are studied in a quantum field theory model of forward interest rates. Swaptions are briefly reviewed. An approximation scheme for the coupon bond option price is developed based on the fact that the volatility of the forward interest rates is a small quantity. The field theory for the forward interest rates is Gaussian, but when the payoff function for the coupon bond option is included it makes the field theory nonlocal and nonlinear. A perturbation expansion using Feynman diagrams gives a closed form approximation for the price of coupon bond option. A special case of the approximate bond option is shown to yield the industry standard one-factor HJM formula with exponential volatility.

Weak Perturbations of Biochemical Oscillators

NASA Astrophysics Data System (ADS)

Gailey, Paul

2001-03-01

Biochemical oscillators may play important roles in gene regulation, circadian rhythms, physiological signaling, and sensory processes. These oscillations typically occur inside cells where the small numbers of reacting molecules result in fluctuations in the oscillation period. Some oscillation mechanisms have been reported that resist fluctuations and produce more stable oscillations. In this paper, we consider the use of biochemical oscillators as sensors by comparing inherent fluctuations with the effects of weak perturbations to one of the reactants. Such systems could be used to produce graded responses to weak stimuli. For example, a leading hypothesis to explain geomagnetic navigation in migrating birds and other animals is based on magnetochemical reactions. Because the magnitude of magnetochemical effects is small at geomagnetic field strengths, a sensitive, noise resistant detection scheme would be required.

Optoelectrofluidic platforms for chemistry and biology.

PubMed

Hwang, Hyundoo; Park, Je-Kyun

2011-01-07

Extraordinary advances in lab on a chip systems have been made on the basis of the development of micro/nanofluidics and its fusion with other technologies based on electrokinetics and optics. Optoelectrofluidic technology, which has been recently introduced as a new manipulation scheme, allows programmable manipulation of particles or fluids in microenvironments based on optically induced electrokinetics. Herein, the behaviour of particles or fluids can be controlled by inducing or perturbing electric fields on demand in an optical manner, which includes photochemical, photoconductive, and photothermal effects. This elegant scheme of the optoelectrofluidic platform has attracted attention in various fields of science and engineering. A lot of research on optoelectrofluidic manipulation technologies has been reported and the field has advanced rapidly, although some technical hurdles still remain. This review describes recent developments and future perspectives of optoelectrofluidic platforms for chemical and biological applications.

On decentralized estimation. [for large linear systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.; Vukcevic, M. B.

1978-01-01

A multilevel scheme is proposed to construct decentralized estimators for large linear systems. The scheme is numerically attractive since only observability tests of low-order subsystems are required. Equally important is the fact that the constructed estimators are reliable under structural perturbations and can tolerate a wide range of nonlinearities in coupling among the subsystems.

Evaluation of WRF physical parameterizations against ARM/ASR Observations in the post-cold-frontal region to improve low-level clouds representation in CAM5

NASA Astrophysics Data System (ADS)

Lamraoui, F.; Booth, J. F.; Naud, C. M.

2017-12-01

The representation of subgrid-scale processes of low-level marine clouds located in the post-cold-frontal region poses a serious challenge for climate models. More precisely, the boundary layer parameterizations are predominantly designed for individual regimes that can evolve gradually over time and does not accommodate the cold front passage that can overly modify the boundary layer rapidly. Also, the microphysics schemes respond differently to the quick development of the boundary layer schemes, especially under unstable conditions. To improve the understanding of cloud physics in the post-cold frontal region, the present study focuses on exploring the relationship between cloud properties, the local processes and large-scale conditions. In order to address these questions, we explore the WRF sensitivity to the interaction between various combinations of the boundary layer and microphysics parameterizations, including the Community Atmospheric Model version 5 (CAM5) physical package in a perturbed physics ensemble. Then, we evaluate these simulations against ground-based ARM observations over the Azores. The WRF-based simulations demonstrate particular sensitivities of the marine cold front passage and the associated post-cold frontal clouds to the domain size, the resolution and the physical parameterizations. First, it is found that in multiple different case studies the model cannot generate the cold front passage when the domain size is larger than 3000 km2. Instead, the modeled cold front stalls, which shows the importance of properly capturing the synoptic scale conditions. The simulation reveals persistent delay in capturing the cold front passage and also an underestimated duration of the post-cold-frontal conditions. Analysis of the perturbed physics ensemble shows that changing the microphysics scheme leads to larger differences in the modeled clouds than changing the boundary layer scheme. The in-cloud heating tendencies are analyzed to explain this sensitivity.

Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

NASA Astrophysics Data System (ADS)

Gonthier, Jérôme F.; Corminboeuf, Clémence

2014-04-01

Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non-bonded intramolecular interactions.

Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

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

Gonthier, Jérôme F.; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch

2014-04-21

Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitivemore » terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non-bonded intramolecular interactions.« less

Study of three-dimensional effects on vortex breakdown

NASA Technical Reports Server (NTRS)

Salas, M. D.; Kuruvila, G.

1988-01-01

The incompressible axisymmetric steady Navier-Stokes equations in primitive variables are used to simulate vortex breakdown. The equations, discretized using a second-order, central-difference scheme, are linearized and then solved using an exact LU decomposition, Gaussian elimination, and Newton iteration. Solutions are presented for Reynolds numbers, based on vortex-core radius, as high as 1500. An attempt to study the stability of the axisymmetric solutions against three-dimensional perturbations is discussed.

Aging does not affect the intralimb coordination elicited by slip-like perturbation of different intensities.

PubMed

Aprigliano, Federica; Martelli, Dario; Tropea, Peppino; Pasquini, Guido; Micera, Silvestro; Monaco, Vito

2017-09-01

This study was aimed at verifying whether aging modifies intralimb coordination strategy during corrective responses elicited by unexpected slip-like perturbations delivered during steady walking on a treadmill. To this end, 10 young and 10 elderly subjects were asked to manage unexpected slippages of different intensities. We analyzed the planar covariation law of the lower limb segments, using the principal component analysis, to verify whether elevation angles of older subjects covaried along a plan before and after the perturbation. Results showed that segments related to the perturbed limbs of both younger and older people do not covary after all perturbations. Conversely, the planar covariation law of the unperturbed limb was systematically held for younger and older subjects. These results occurred despite differences in spatio-temporal and kinematic parameters being observed among groups and perturbation intensities. Overall, our analysis revealed that aging does not affect intralimb coordination during corrective responses induced by slip-like perturbation, suggesting that both younger and older subjects adopt this control strategy while managing sudden and unexpected postural transitions of increasing intensities. Accordingly, results corroborate the hypothesis that balance control emerges from a governing set of biomechanical invariants, that is, suitable control schemes (e.g., planar covariation law) shared across voluntary and corrective motor behaviors, and across different sensory contexts due to different perturbation intensities, in both younger and older subjects. In this respect, our findings provide further support to investigate the effects of specific task training programs to counteract the risk of fall. NEW & NOTEWORTHY This study was aimed at investigating how aging affects the intralimb coordination of lower limb segments, described by the planar covariation law, during unexpected slip-like perturbations of increasing intensity. Results revealed that neither the aging nor the perturbation intensity affects this coordination strategy. Accordingly, we proposed that the balance control emerges from an invariant set of control schemes shared across different sensory motor contexts and despite age-related neuromuscular adaptations. Copyright © 2017 the American Physiological Society.

Chaos control of the brushless direct current motor using adaptive dynamic surface control based on neural network with the minimum weights.

PubMed

Luo, Shaohua; Wu, Songli; Gao, Ruizhen

2015-07-01

This paper investigates chaos control for the brushless DC motor (BLDCM) system by adaptive dynamic surface approach based on neural network with the minimum weights. The BLDCM system contains parameter perturbation, chaotic behavior, and uncertainty. With the help of radial basis function (RBF) neural network to approximate the unknown nonlinear functions, the adaptive law is established to overcome uncertainty of the control gain. By introducing the RBF neural network and adaptive technology into the dynamic surface control design, a robust chaos control scheme is developed. It is proved that the proposed control approach can guarantee that all signals in the closed-loop system are globally uniformly bounded, and the tracking error converges to a small neighborhood of the origin. Simulation results are provided to show that the proposed approach works well in suppressing chaos and parameter perturbation.

Intelligent robust control for uncertain nonlinear time-varying systems and its application to robotic systems.

PubMed

Chang, Yeong-Chan

2005-12-01

This paper addresses the problem of designing adaptive fuzzy-based (or neural network-based) robust controls for a large class of uncertain nonlinear time-varying systems. This class of systems can be perturbed by plant uncertainties, unmodeled perturbations, and external disturbances. Nonlinear H(infinity) control technique incorporated with adaptive control technique and VSC technique is employed to construct the intelligent robust stabilization controller such that an H(infinity) control is achieved. The problem of the robust tracking control design for uncertain robotic systems is employed to demonstrate the effectiveness of the developed robust stabilization control scheme. Therefore, an intelligent robust tracking controller for uncertain robotic systems in the presence of high-degree uncertainties can easily be implemented. Its solution requires only to solve a linear algebraic matrix inequality and a satisfactorily transient and asymptotical tracking performance is guaranteed. A simulation example is made to confirm the performance of the developed control algorithms.

Chaos control of the brushless direct current motor using adaptive dynamic surface control based on neural network with the minimum weights

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

Luo, Shaohua; Department of Mechanical Engineering, Chongqing Aerospace Polytechnic, Chongqing, 400021; Wu, Songli

2015-07-15

This paper investigates chaos control for the brushless DC motor (BLDCM) system by adaptive dynamic surface approach based on neural network with the minimum weights. The BLDCM system contains parameter perturbation, chaotic behavior, and uncertainty. With the help of radial basis function (RBF) neural network to approximate the unknown nonlinear functions, the adaptive law is established to overcome uncertainty of the control gain. By introducing the RBF neural network and adaptive technology into the dynamic surface control design, a robust chaos control scheme is developed. It is proved that the proposed control approach can guarantee that all signals in themore » closed-loop system are globally uniformly bounded, and the tracking error converges to a small neighborhood of the origin. Simulation results are provided to show that the proposed approach works well in suppressing chaos and parameter perturbation.« less

Numerical solution of modified differential equations based on symmetry preservation.

PubMed

Ozbenli, Ersin; Vedula, Prakash

2017-12-01

In this paper, we propose a method to construct invariant finite-difference schemes for solution of partial differential equations (PDEs) via consideration of modified forms of the underlying PDEs. The invariant schemes, which preserve Lie symmetries, are obtained based on the method of equivariant moving frames. While it is often difficult to construct invariant numerical schemes for PDEs due to complicated symmetry groups associated with cumbersome discrete variable transformations, we note that symmetries associated with more convenient transformations can often be obtained by appropriately modifying the original PDEs. In some cases, modifications to the original PDEs are also found to be useful in order to avoid trivial solutions that might arise from particular selections of moving frames. In our proposed method, modified forms of PDEs can be obtained either by addition of perturbation terms to the original PDEs or through defect correction procedures. These additional terms, whose primary purpose is to enable symmetries with more convenient transformations, are then removed from the system by considering moving frames for which these specific terms go to zero. Further, we explore selection of appropriate moving frames that result in improvement in accuracy of invariant numerical schemes based on modified PDEs. The proposed method is tested using the linear advection equation (in one- and two-dimensions) and the inviscid Burgers' equation. Results obtained for these tests cases indicate that numerical schemes derived from the proposed method perform significantly better than existing schemes not only by virtue of improvement in numerical accuracy but also due to preservation of qualitative properties or symmetries of the underlying differential equations.

The development of global GRAPES 4DVAR

NASA Astrophysics Data System (ADS)

Liu, Yongzhu

2017-04-01

Four-dimensional variation data assimilation (4DVAR) has given a great contribution to the improvement of NWP system over the past twenty years. Therefore, our strategy is to develop an operational global 4D-Var system from the outset. The aim at the paper is to introduce the development of the global GRAPES four-dimensional variation data assimilation (4DVAR) using incremental analysis schemes and to presents results of a comparison between 4DVAR using 6-hour assimilation window and simplified physics during the minimization with three-dimensional variation data assimilation (3DVAR). The dynamical cores of the tangent-linear and adjoint models are developed directly based on the non-hydrostatic forecast model. In addition, the standard correctness checks have been performed. As well as the development adjoint codes, most of our work is focused on improving the computational efficiency since the bulk of the computational cost of 4D-Var is in the integration of the tangent-linear and adjoint models. In terms of tangent-linear model, the wall-clock time is reduced to about 1.2 times as much as one of nonlinear model through the optimizing of the software framework. The significant computational cost savings on adjoint model result from the removing the redundant recompilations of model trajectories. It is encouraging that the wall-clock time of adjoint model is less than 1.5 times as much as one of nonlinear model. The current difficulty is that the numerical scheme used within the linear model is based on strategically on the numeric of the corresponding nonlinear model. Further computational acceleration should be expected from the improvement on nonlinear numerical algorithm. A series of linearized physical parameterization schemes has been developed to improve the representation of perturbed fields in the linear model. It consists of horizontal and vertical diffusion, sub-grid scale orographic gravity wave drag, large-scale condensation and cumulus convection schemes. We also found the straightforward linearization based on the nonlinear physical scheme might lead to significant growing of spurious unstable perturbations. It is essential to simplify the linear physics with respect to the non-linear schemes. The improvement on the perturbed fields in the tangent-linear model is visible with the linear physics included, especially at the low level. GRAPES variation data assimilation system adopts the incremental approach. The work is ongoing to develop a pre-operational 4DVAR suite with 0.25° outer loop resolution and multiple outer-loops configurations. One 4DVAR analysis using 6-hour assimilation windows can be finished within 40-minutes when using the available conventional and satellite data. In summary, it was found that the analysis over the northern, southern hemispheres, tropical region and East Asian area of GRAPES 4DVAR performed better than GRAPES 3DVAR for one month experiments. Moreover, the forecast results show that northern and southern extra-tropical scores for GRAPES 4DVAR are already better than GRAPES 3DVAR, but the tropical performance needs further investigations. Therefore, the subsequent main improvements will aim to enhance its computational efficiency and accuracy in 2017. The global GRAPES 4DVAR is planned for operation in 2018.

LightForce Photon-Pressure Collision Avoidance: Efficiency Assessment on an Entire Catalogue of Space Debris

NASA Technical Reports Server (NTRS)

Stupl, Jan Michael; Faber, Nicolas; Foster, Cyrus; Yang Yang, Fan; Levit, Creon

2013-01-01

The potential to perturb debris orbits using photon pressure from ground-based lasers has been confirmed by independent research teams. Two useful applications of this scheme are protecting space assets from impacts with debris and stabilizing the orbital debris environment, both relying on collision avoidance rather than de-orbiting debris. This paper presents the results of a new assessment method to analyze the efficiency of the concept for collision avoidance. Earlier research concluded that one ground based system consisting of a 10 kW class laser, directed by a 1.5 m telescope with adaptive optics, can prevent a significant fraction of debris-debris collisions in low Earth orbit. That research used in-track displacement to measure efficiency and restricted itself to an analysis of a limited number of objects. As orbit prediction error is dependent on debris object properties, a static displacement threshold should be complemented with another measure to assess the efficiency of the scheme. In this paper we present the results of an approach using probability of collision. Using a least-squares fitting method, we improve the quality of the original TLE catalogue in terms of state and co-state accuracy. We then calculate collision probabilities for all the objects in the catalogue. The conjunctions with the highest risk of collision are then engaged by a simulated network of laser ground stations. After those engagements, the perturbed orbits are used to re-assess the collision probability in a 20 minute window around the original conjunction. We then use different criteria to evaluate the utility of the laser-based collision avoidance scheme and assess the number of base-line ground stations needed to mitigate a significant number of high probability conjunctions. Finally, we also give an account how a laser ground station can be used for both orbit deflection and debris tracking.

On epicardial potential reconstruction using regularization schemes with the L1-norm data term.

PubMed

Shou, Guofa; Xia, Ling; Liu, Feng; Jiang, Mingfeng; Crozier, Stuart

2011-01-07

The electrocardiographic (ECG) inverse problem is ill-posed and usually solved by regularization schemes. These regularization methods, such as the Tikhonov method, are often based on the L2-norm data and constraint terms. However, L2-norm-based methods inherently provide smoothed inverse solutions that are sensitive to measurement errors, and also lack the capability of localizing and distinguishing multiple proximal cardiac electrical sources. This paper presents alternative regularization schemes employing the L1-norm data term for the reconstruction of epicardial potentials (EPs) from measured body surface potentials (BSPs). During numerical implementation, the iteratively reweighted norm algorithm was applied to solve the L1-norm-related schemes, and measurement noises were considered in the BSP data. The proposed L1-norm data term-based regularization schemes (with L1 and L2 penalty terms of the normal derivative constraint (labelled as L1TV and L1L2)) were compared with the L2-norm data terms (Tikhonov with zero-order and normal derivative constraints, labelled as ZOT and FOT, and the total variation method labelled as L2TV). The studies demonstrated that, with averaged measurement noise, the inverse solutions provided by the L1L2 and FOT algorithms have less relative error values. However, when larger noise occurred in some electrodes (for example, signal lost during measurement), the L1TV and L1L2 methods can obtain more accurate EPs in a robust manner. Therefore the L1-norm data term-based solutions are generally less perturbed by measurement noises, suggesting that the new regularization scheme is promising for providing practical ECG inverse solutions.

Stochastic Parametrisations and Regime Behaviour of Atmospheric Models

NASA Astrophysics Data System (ADS)

Arnold, Hannah; Moroz, Irene; Palmer, Tim

2013-04-01

The presence of regimes is a characteristic of non-linear, chaotic systems (Lorenz, 2006). In the atmosphere, regimes emerge as familiar circulation patterns such as the El-Nino Southern Oscillation (ENSO), the North Atlantic Oscillation (NAO) and Scandinavian Blocking events. In recent years there has been much interest in the problem of identifying and studying atmospheric regimes (Solomon et al, 2007). In particular, how do these regimes respond to an external forcing such as anthropogenic greenhouse gas emissions? The importance of regimes in observed trends over the past 50-100 years indicates that in order to predict anthropogenic climate change, our climate models must be able to represent accurately natural circulation regimes, their statistics and variability. It is well established that representing model uncertainty as well as initial condition uncertainty is important for reliable weather forecasts (Palmer, 2001). In particular, stochastic parametrisation schemes have been shown to improve the skill of weather forecast models (e.g. Berner et al., 2009; Frenkel et al., 2012; Palmer et al., 2009). It is possible that including stochastic physics as a representation of model uncertainty could also be beneficial in climate modelling, enabling the simulator to explore larger regions of the climate attractor including other flow regimes. An alternative representation of model uncertainty is a perturbed parameter scheme, whereby physical parameters in subgrid parametrisation schemes are perturbed about their optimal value. Perturbing parameters gives a greater control over the ensemble than multi-model or multiparametrisation ensembles, and has been used as a representation of model uncertainty in climate prediction (Stainforth et al., 2005; Rougier et al., 2009). We investigate the effect of including representations of model uncertainty on the regime behaviour of a simulator. A simple chaotic model of the atmosphere, the Lorenz '96 system, is used to study the predictability of regime changes (Lorenz 1996, 2006). Three types of models are considered: a deterministic parametrisation scheme, stochastic parametrisation schemes with additive or multiplicative noise, and a perturbed parameter ensemble. Each forecasting scheme was tested on its ability to reproduce the attractor of the full system, defined in a reduced space based on EOF decomposition. None of the forecast models accurately capture the less common regime, though a significant improvement is observed over the deterministic parametrisation when a temporally correlated stochastic parametrisation is used. The attractor for the perturbed parameter ensemble improves on that forecast by the deterministic or white additive schemes, showing a distinct peak in the attractor corresponding to the less common regime. However, the 40 constituent members of the perturbed parameter ensemble each differ greatly from the true attractor, with many only showing one dominant regime with very rare transitions. These results indicate that perturbed parameter ensembles must be carefully analysed as individual members may have very different characteristics to the ensemble mean and to the true system being modelled. On the other hand, the stochastic parametrisation schemes tested performed well, improving the simulated climate, and motivating the development of a stochastic earth-system simulator for use in climate prediction. J. Berner, G. J. Shutts, M. Leutbecher, and T. N. Palmer. A spectral stochastic kinetic energy backscatter scheme and its impact on flow dependent predictability in the ECMWF ensemble prediction system. J. Atmos. Sci., 66(3):603-626, 2009. Y. Frenkel, A. J. Majda, and B. Khouider. Using the stochastic multicloud model to improve tropical convective parametrisation: A paradigm example. J. Atmos. Sci., 69(3):1080-1105, 2012. E. N. Lorenz. Predictability: a problem partly solved. In Proceedings, Seminar on Predictability, 4-8 September 1995, volume 1, pages 1-18, Shinfield Park, Reading, 1996. ECMWF. E. N. Lorenz. Regimes in simple systems. J. Atmos. Sci., 63(8):2056-2073, 2006. T. N Palmer. A nonlinear dynamical perspective on model error: A proposal for non-local stochastic-dynamic parametrisation in weather and climate prediction models. Q. J. Roy. Meteor. Soc., 127(572):279-304, 2001. T. N. Palmer, R. Buizza, F. Doblas-Reyes, T. Jung, M. Leutbecher, G. J. Shutts, M. Steinheimer, and A. Weisheimer. Stochastic parametrization and model uncertainty. Technical Report 598, European Centre for Medium-Range Weather Forecasts, 2009. J. Rougier, D. M. H. Sexton, J. M. Murphy, and D. Stainforth. Analyzing the climate sensitivity of the HadSM3 climate model using ensembles from different but related experiments. J. Climate, 22:3540-3557, 2009. S. Solomon, D. Qin, M. Manning, Z. Chen, M. Marquis, K. B. Averyt, Tignor M., and H. L. Miller. Climate models and their evaluation. In Climate Change 2007: The Physical Science Basis. Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change, Cambridge, United Kingdom and New York, NY, USA, 2007. Cambridge University Press. D. A Stainforth, T. Aina, C. Christensen, M. Collins, N. Faull, D. J. Frame, J. A. Kettleborough, S. Knight, A. Martin, J. M. Murphy, C. Piani, D. Sexton, L. A. Smith, R. A Spicer, A. J. Thorpe, and M. R Allen. Uncertainty in predictions of the climate response to rising levels of greenhouse gases. Nature, 433(7024):403-406, 2005.

Simulating highly nonlocal Hamiltonians with less nonlocal Hamiltonians

NASA Astrophysics Data System (ADS)

Subasi, Yigit; Jarzynski, Christopher

The need for Hamiltonians with many-body interactions arises in various applications of quantum computing. However, interactions beyond two-body are difficult to realize experimentally. Perturbative gadgets were introduced to obtain arbitrary many-body effective interactions using Hamiltonians with two-body interactions only. Although valid for arbitrary k-body interactions, their use is limited to small k because the strength of interaction is k'th order in perturbation theory. Here we develop a nonperturbative technique for obtaining effective k-body interactions using Hamiltonians consisting of at most l-body interactions with l < k . This technique works best for Hamiltonians with a few interactions with very large k and can be used together with perturbative gadgets to embed Hamiltonians of considerable complexity in proper subspaces of two-local Hamiltonians. We describe how our technique can be implemented in a hybrid (gate-based and adiabatic) as well as solely adiabatic quantum computing scheme. We gratefully acknowledge financial support from the Lockheed Martin Corporation under Contract U12001C.

Application of Linear and Non-Linear Harmonic Methods for Unsteady Transonic Flow

NASA Astrophysics Data System (ADS)

Gundevia, Rayomand

This thesis explores linear and non-linear computational methods for solving unsteady flow. The eventual goal is to apply these methods to two-dimensional and three-dimensional flutter predictions. In this study the quasi-one-dimensional nozzle is used as a framework for understanding these methods and their limitations. Subsonic and transonic cases are explored as the back-pressure is forced to oscillate with known amplitude and frequency. A steady harmonic approach is used to solve this unsteady problem for which perturbations are said to be small in comparison to the mean flow. The use of a linearized Euler equations (LEE) scheme is good at capturing the flow characteristics but is limited by accuracy to relatively small amplitude perturbations. The introduction of time-averaged second-order terms in the Non-Linear Harmonic (NLH) method means that a better approximation of the mean-valued solution, upon which the linearization is based, can be made. The nonlinear time-accurate Euler solutions are used for comparison and to establish the regimes of unsteadiness for which these schemes fails. The usefulness of the LEE and NLH methods lie in the gains in computational efficiency over the full equations.

Unsteady, one-dimensional gas dynamics computations using a TVD type sequential solver

NASA Technical Reports Server (NTRS)

Thakur, Siddharth; Shyy, Wei

1992-01-01

The efficacy of high resolution convection schemes to resolve sharp gradient in unsteady, 1D flows is examined using the TVD concept based on a sequential solution algorithm. Two unsteady flow problems are considered which include the problem involving the interaction of the various waves in a shock tube with closed reflecting ends and the problem involving the unsteady gas dynamics in a tube with closed ends subject to an initial pressure perturbation. It is concluded that high accuracy convection schemes in a sequential solution framework are capable of resolving discontinuities in unsteady flows involving complex gas dynamics. However, a sufficient amount of dissipation is required to suppress oscillations near discontinuities in the sequential approach, which leads to smearing of the solution profiles.

Displacement data assimilation

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

Rosenthal, W. Steven; Venkataramani, Shankar; Mariano, Arthur J.

We show that modifying a Bayesian data assimilation scheme by incorporating kinematically-consistent displacement corrections produces a scheme that is demonstrably better at estimating partially observed state vectors in a setting where feature information is important. While the displacement transformation is generic, here we implement it within an ensemble Kalman Filter framework and demonstrate its effectiveness in tracking stochastically perturbed vortices.

Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods

NASA Astrophysics Data System (ADS)

Cheng, Lan; Wang, Fan; Stanton, John F.; Gauss, Jürgen

2018-01-01

A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects using the SFX2C-1e scheme extends the applicability of the perturbative treatment of SOC to molecules that contain heavy elements. The contributions from relaxation of the coupled-cluster amplitudes are shown to be relatively small; significant contributions from correlating the inner-core orbitals are observed in calculations involving third-row and heavier elements. The calculation of term energies for the low-lying electronic states of the PtH radical, which serves to exemplify heavy transition-metal containing systems, further demonstrates the quality that can be achieved with the pragmatic approach presented here.

A combined approach of self-referencing and Principle Component Thermography for transient, steady, and selective heating scenarios

NASA Astrophysics Data System (ADS)

Omar, M. A.; Parvataneni, R.; Zhou, Y.

2010-09-01

Proposed manuscript describes the implementation of a two step processing procedure, composed of the self-referencing and the Principle Component Thermography (PCT). The combined approach enables the processing of thermograms from transient (flash), steady (halogen) and selective (induction) thermal perturbations. Firstly, the research discusses the three basic processing schemes typically applied for thermography; namely mathematical transformation based processing, curve-fitting processing, and direct contrast based calculations. Proposed algorithm utilizes the self-referencing scheme to create a sub-sequence that contains the maximum contrast information and also compute the anomalies' depth values. While, the Principle Component Thermography operates on the sub-sequence frames by re-arranging its data content (pixel values) spatially and temporally then it highlights the data variance. The PCT is mainly used as a mathematical mean to enhance the defects' contrast thus enabling its shape and size retrieval. The results show that the proposed combined scheme is effective in processing multiple size defects in sandwich steel structure in real-time (<30 Hz) and with full spatial coverage, without the need for a priori defect-free area.

Design of a mutual authentication based on NTRUsign with a perturbation and inherent multipoint control protocol frames in an Ethernet-based passive optical network

NASA Astrophysics Data System (ADS)

Yin, Aihan; Ding, Yisheng

2014-11-01

Identity-related security issues inherently present in passive optical networks (PON) still exist in the current (1G) and next-generation (10G) Ethernet-based passive optical network (EPON) systems. We propose a mutual authentication scheme that integrates an NTRUsign digital signature algorithm with inherent multipoint control protocol (MPCP) frames over an EPON system between the optical line terminal (OLT) and optical network unit (ONU). Here, a primitive NTRUsign algorithm is significantly modified through the use of a new perturbation so that it can be effectively used for simultaneously completing signature and authentication functions on the OLT and the ONU sides. Also, in order to transmit their individual sensitive messages, which include public key, signature, and random value and so forth, to each other, we redefine three unique frames according to MPCP format frame. These generated messages can be added into the frames and delivered to each other, allowing the OLT and the ONU to go ahead with a mutual identity authentication process to verify their legal identities. Our simulation results show that this proposed scheme performs very well in resisting security attacks and has low influence on the registration efficiency to to-be-registered ONUs. A performance comparison with traditional authentication algorithms is also presented. To the best of our knowledge, no detailed design of mutual authentication in EPON can be found in the literature up to now.

Renormalization scheme and gauge (in)dependence of the generalized Crewther relation: what are the real grounds of the β-factorization property?

NASA Astrophysics Data System (ADS)

Garkusha, A. V.; Kataev, A. L.; Molokoedov, V. S.

2018-02-01

The problem of scheme and gauge dependence of the factorization property of the renormalization group β-function in the SU( N c ) QCD generalized Crewther relation (GCR), which connects the flavor non-singlet contributions to the Adler and Bjorken polarized sum rule functions, is investigated at the O({a}_s^4) level of perturbation theory. It is known that in the gauge-invariant renormalization \\overline{MS} -scheme this property holds in the QCD GCR at least at this order. To study whether this factorization property is true in all gauge-invariant schemes, we consider the MS-like schemes in QCD and the QED-limit of the GCR in the \\overline{MS} -scheme and in two other gauge-independent subtraction schemes, namely in the momentum MOM and the on-shell OS schemes. In these schemes we confirm the existence of the β-function factorization in the QCD and QED variants of the GCR. The problem of the possible β-factorization in the gauge-dependent renormalization schemes in QCD is studied. To investigate this problem we consider the gauge non-invariant mMOM and MOMgggg-schemes. We demonstrate that in the mMOM scheme at the O({a}_s^3) level the β-factorization is valid for three values of the gauge parameter ξ only, namely for ξ = -3 , -1 and ξ = 0. In the O({a}_s^4) order of PT it remains valid only for case of the Landau gauge ξ = 0. The consideration of these two gauge-dependent schemes for the QCD GCR allows us to conclude that the factorization of RG β-function will always be implemented in any MOM-like renormalization schemes with linear covariant gauge at ξ = 0 and ξ = -3 at the O({a}_s^3) approximation. It is demonstrated that if factorization property for the MS-like schemes is true in all orders of PT, as theoretically indicated in the several works on the subject, then the factorization will also occur in the arbitrary MOM-like scheme in the Landau gauge in all orders of perturbation theory as well.

Physics conditions for robust control of tearing modes in a rotating tokamak plasma

NASA Astrophysics Data System (ADS)

Lazzaro, E.; Borgogno, D.; Brunetti, D.; Comisso, L.; Fevrier, O.; Grasso, D.; Lutjens, H.; Maget, P.; Nowak, S.; Sauter, O.; Sozzi, C.; the EUROfusion MST1 Team

2018-01-01

The disruptive collapse of the current sustained equilibrium of a tokamak is perhaps the single most serious obstacle on the path toward controlled thermonuclear fusion. The current disruption is generally too fast to be identified early enough and tamed efficiently, and may be associated with a variety of initial perturbing events. However, a common feature of all disruptive events is that they proceed through the onset of magnetohydrodynamic instabilities and field reconnection processes developing magnetic islands, which eventually destroy the magnetic configuration. Therefore the avoidance and control of magnetic reconnection instabilities is of foremost importance and great attention is focused on the promising stabilization techniques based on localized rf power absorption and current drive. Here a short review is proposed of the key aspects of high power rf control schemes (specifically electron cyclotron heating and current drive) for tearing modes, considering also some effects of plasma rotation. From first principles physics considerations, new conditions are presented and discussed to achieve control of the tearing perturbations by means of high power ({P}{{EC}}≥slant {P}{{ohm}}) in regimes where strong nonlinear instabilities may be driven, such as secondary island structures, which can blur the detection and limit the control of the instabilities. Here we consider recent work that has motivated the search for the improvement of some traditional control strategies, namely the feedback schemes based on strict phase tracking of the propagating magnetic islands.

Extended pseudo-screen migration with multiple reference velocities

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

Huang, Lian-Jie; Fehler, M.C.

1997-11-01

The pseudo-screen propagator is a kind of one way wave propagation based on the local Born approximation. The problem of the propagator is that it is difficult to calculate the scattered fields when the velocity perturbation is large; not to mention the accuracy of the propagator. We develop an extended pseudo-screen propagator by introducing different reference velocities in different regions of a medium to ensure the condition of small perturbation. The exploding reflector data for a 2D slice of the SEG/EAEG 3D salt model is generated by a finite difference scheme to test the feasibility of the method. The migrationmore » result demonstrates that the method can handle severe lateral velocity variations and provides high quality images for complex structures.« less

Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopy.

PubMed

Mananga, Eugène S; Charpentier, Thibault

2011-07-28

In this article, we present an alternative expansion scheme called Floquet-Magnus expansion (FME) used to solve a time-dependent linear differential equation which is a central problem in quantum physics in general and solid-state nuclear magnetic resonance (NMR) in particular. The commonly used methods to treat theoretical problems in solid-state NMR are the average Hamiltonian theory (AHT) and the Floquet theory (FT), which have been successful for designing sophisticated pulse sequences and understanding of different experiments. To the best of our knowledge, this is the first report of the FME scheme in the context of solid state NMR and we compare this approach with other series expansions. We present a modified FME scheme highlighting the importance of the (time-periodic) boundary conditions. This modified scheme greatly simplifies the calculation of higher order terms and shown to be equivalent to the Floquet theory (single or multimode time-dependence) but allows one to derive the effective Hamiltonian in the Hilbert space. Basic applications of the FME scheme are described and compared to previous treatments based on AHT, FT, and static perturbation theory. We discuss also the convergence aspects of the three schemes (AHT, FT, and FME) and present the relevant references. © 2011 American Institute of Physics

On the interface between perturbative and nonperturbative QCD

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

Deur, Alexandre; Brodsky, Stanley J.; de Teramond, Guy F.

2016-04-04

The QCD running couplingmore » $$\\alpha_s(Q^2)$$ sets the strength of the interactions of quarks and gluons as a function of the momentum transfer $Q$. The $Q^2$ dependence of the coupling is required to describe hadronic interactions at both large and short distances. In this article we adopt the light-front holographic approach to strongly-coupled QCD, a formalism which incorporates confinement, predicts the spectroscopy of hadrons composed of light quarks, and describes the low-$Q^2$ analytic behavior of the strong coupling $$\\alpha_s(Q^2)$$. The high-$Q^2$ dependence of the coupling $$\\alpha_s(Q^2)$$ is specified by perturbative QCD and its renormalization group equation. The matching of the high and low $Q^2$ regimes of $$\\alpha_s(Q^2)$$ then determines the scale $$Q_0$$ which sets the interface between perturbative and nonperturbative hadron dynamics. The value of $$Q_0$$ can be used to set the factorization scale for DGLAP evolution of hadronic structure functions and the ERBL evolution of distribution amplitudes. We discuss the scheme-dependence of the value of $$Q_0$$ and the infrared fixed-point of the QCD coupling. Our analysis is carried out for the $$\\bar{MS}$$, $$g_1$$, $MOM$ and $V$ renormalization schemes. Our results show that the discrepancies on the value of $$\\alpha_s$$ at large distance seen in the literature can be explained by different choices of renormalization schemes. Lastly, we also provide the formulae to compute $$\\alpha_s(Q^2)$$ over the entire range of space-like momentum transfer for the different renormalization schemes discussed in this article.« less

Turbulent boundary layer under the control of different schemes

NASA Astrophysics Data System (ADS)

Qiao, Z. X.; Zhou, Y.; Wu, Z.

2017-06-01

This work explores experimentally the control of a turbulent boundary layer over a flat plate based on wall perturbation generated by piezo-ceramic actuators. Different schemes are investigated, including the feed-forward, the feedback, and the combined feed-forward and feedback strategies, with a view to suppressing the near-wall high-speed events and hence reducing skin friction drag. While the strategies may achieve a local maximum drag reduction slightly less than their counterpart of the open-loop control, the corresponding duty cycles are substantially reduced when compared with that of the open-loop control. The results suggest a good potential to cut down the input energy under these control strategies. The fluctuating velocity, spectra, Taylor microscale and mean energy dissipation are measured across the boundary layer with and without control and, based on the measurements, the flow mechanism behind the control is proposed.

Turbulent boundary layer under the control of different schemes.

PubMed

Qiao, Z X; Zhou, Y; Wu, Z

2017-06-01

This work explores experimentally the control of a turbulent boundary layer over a flat plate based on wall perturbation generated by piezo-ceramic actuators. Different schemes are investigated, including the feed-forward, the feedback, and the combined feed-forward and feedback strategies, with a view to suppressing the near-wall high-speed events and hence reducing skin friction drag. While the strategies may achieve a local maximum drag reduction slightly less than their counterpart of the open-loop control, the corresponding duty cycles are substantially reduced when compared with that of the open-loop control. The results suggest a good potential to cut down the input energy under these control strategies. The fluctuating velocity, spectra, Taylor microscale and mean energy dissipation are measured across the boundary layer with and without control and, based on the measurements, the flow mechanism behind the control is proposed.

Turbulent boundary layer under the control of different schemes

PubMed Central

Zhou, Y.; Wu, Z.

2017-01-01

This work explores experimentally the control of a turbulent boundary layer over a flat plate based on wall perturbation generated by piezo-ceramic actuators. Different schemes are investigated, including the feed-forward, the feedback, and the combined feed-forward and feedback strategies, with a view to suppressing the near-wall high-speed events and hence reducing skin friction drag. While the strategies may achieve a local maximum drag reduction slightly less than their counterpart of the open-loop control, the corresponding duty cycles are substantially reduced when compared with that of the open-loop control. The results suggest a good potential to cut down the input energy under these control strategies. The fluctuating velocity, spectra, Taylor microscale and mean energy dissipation are measured across the boundary layer with and without control and, based on the measurements, the flow mechanism behind the control is proposed. PMID:28690409

A linear shock cell model for non-circular jets using conformal mapping with a pseudo-spectral hybrid scheme

NASA Technical Reports Server (NTRS)

Bhat, Thonse R. S.; Baty, Roy S.; Morris, Philip J.

1990-01-01

The shock structure in non-circular supersonic jets is predicted using a linear model. This model includes the effects of the finite thickness of the mixing layer and the turbulence in the jet shear layer. A numerical solution is obtained using a conformal mapping grid generation scheme with a hybrid pseudo-spectral discretization method. The uniform pressure perturbation at the jet exit is approximated by a Fourier-Mathieu series. The pressure at downstream locations is obtained from an eigenfunction expansion that is matched to the pressure perturbation at the jet exit. Results are presented for a circular jet and for an elliptic jet of aspect ratio 2.0. Comparisons are made with experimental data.

Coupling-parameter expansion in thermodynamic perturbation theory.

PubMed

Ramana, A Sai Venkata; Menon, S V G

2013-02-01

An approach to the coupling-parameter expansion in the liquid state theory of simple fluids is presented by combining the ideas of thermodynamic perturbation theory and integral equation theories. This hybrid scheme avoids the problems of the latter in the two phase region. A method to compute the perturbation series to any arbitrary order is developed and applied to square well fluids. Apart from the Helmholtz free energy, the method also gives the radial distribution function and the direct correlation function of the perturbed system. The theory is applied for square well fluids of variable ranges and compared with simulation data. While the convergence of perturbation series and the overall performance of the theory is good, improvements are needed for potentials with shorter ranges. Possible directions for further developments in the coupling-parameter expansion are indicated.

Efficient Simulation of Tropical Cyclone Pathways with Stochastic Perturbations

NASA Astrophysics Data System (ADS)

Webber, R.; Plotkin, D. A.; Abbot, D. S.; Weare, J.

2017-12-01

Global Climate Models (GCMs) are known to statistically underpredict intense tropical cyclones (TCs) because they fail to capture the rapid intensification and high wind speeds characteristic of the most destructive TCs. Stochastic parametrization schemes have the potential to improve the accuracy of GCMs. However, current analysis of these schemes through direct sampling is limited by the computational expense of simulating a rare weather event at fine spatial gridding. The present work introduces a stochastically perturbed parametrization tendency (SPPT) scheme to increase simulated intensity of TCs. We adapt the Weighted Ensemble algorithm to simulate the distribution of TCs at a fraction of the computational effort required in direct sampling. We illustrate the efficiency of the SPPT scheme by comparing simulations at different spatial resolutions and stochastic parameter regimes. Stochastic parametrization and rare event sampling strategies have great potential to improve TC prediction and aid understanding of tropical cyclogenesis. Since rising sea surface temperatures are postulated to increase the intensity of TCs, these strategies can also improve predictions about climate change-related weather patterns. The rare event sampling strategies used in the current work are not only a novel tool for studying TCs, but they may also be applied to sampling any range of extreme weather events.

Energy management of three-dimensional minimum-time intercept. [for aircraft flight optimization

NASA Technical Reports Server (NTRS)

Kelley, H. J.; Cliff, E. M.; Visser, H. G.

1985-01-01

A real-time computer algorithm to control and optimize aircraft flight profiles is described and applied to a three-dimensional minimum-time intercept mission. The proposed scheme has roots in two well known techniques: singular perturbations and neighboring-optimal guidance. Use of singular-perturbation ideas is made in terms of the assumed trajectory-family structure. A heading/energy family of prestored point-mass-model state-Euler solutions is used as the baseline in this scheme. The next step is to generate a near-optimal guidance law that will transfer the aircraft to the vicinity of this reference family. The control commands fed to the autopilot (bank angle and load factor) consist of the reference controls plus correction terms which are linear combinations of the altitude and path-angle deviations from reference values, weighted by a set of precalculated gains. In this respect the proposed scheme resembles neighboring-optimal guidance. However, in contrast to the neighboring-optimal guidance scheme, the reference control and state variables as well as the feedback gains are stored as functions of energy and heading in the present approach. Some numerical results comparing open-loop optimal and approximate feedback solutions are presented.

Computing singularities of perturbation series

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

Kvaal, Simen; Jarlebring, Elias; Michiels, Wim

2011-03-15

Many properties of current ab initio approaches to the quantum many-body problem, both perturbational and otherwise, are related to the singularity structure of the Rayleigh-Schroedinger perturbation series. A numerical procedure is presented that in principle computes the complete set of singularities, including the dominant singularity which limits the radius of convergence. The method approximates the singularities as eigenvalues of a certain generalized eigenvalue equation which is solved using iterative techniques. It relies on computation of the action of the Hamiltonian matrix on a vector and does not rely on the terms in the perturbation series. The method can be usefulmore » for studying perturbation series of typical systems of moderate size, for fundamental development of resummation schemes, and for understanding the structure of singularities for typical systems. Some illustrative model problems are studied, including a helium-like model with {delta}-function interactions for which Moeller-Plesset perturbation theory is considered and the radius of convergence found.« less

The renormalization scale-setting problem in QCD

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

Wu, Xing-Gang; Brodsky, Stanley J.; Mojaza, Matin

2013-09-01

A key problem in making precise perturbative QCD predictions is to set the proper renormalization scale of the running coupling. The conventional scale-setting procedure assigns an arbitrary range and an arbitrary systematic error to fixed-order pQCD predictions. In fact, this ad hoc procedure gives results which depend on the choice of the renormalization scheme, and it is in conflict with the standard scale-setting procedure used in QED. Predictions for physical results should be independent of the choice of the scheme or other theoretical conventions. We review current ideas and points of view on how to deal with the renormalization scalemore » ambiguity and show how to obtain renormalization scheme- and scale-independent estimates. We begin by introducing the renormalization group (RG) equation and an extended version, which expresses the invariance of physical observables under both the renormalization scheme and scale-parameter transformations. The RG equation provides a convenient way for estimating the scheme- and scale-dependence of a physical process. We then discuss self-consistency requirements of the RG equations, such as reflexivity, symmetry, and transitivity, which must be satisfied by a scale-setting method. Four typical scale setting methods suggested in the literature, i.e., the Fastest Apparent Convergence (FAC) criterion, the Principle of Minimum Sensitivity (PMS), the Brodsky–Lepage–Mackenzie method (BLM), and the Principle of Maximum Conformality (PMC), are introduced. Basic properties and their applications are discussed. We pay particular attention to the PMC, which satisfies all of the requirements of RG invariance. Using the PMC, all non-conformal terms associated with the β-function in the perturbative series are summed into the running coupling, and one obtains a unique, scale-fixed, scheme-independent prediction at any finite order. The PMC provides the principle underlying the BLM method, since it gives the general rule for extending BLM up to any perturbative order; in fact, they are equivalent to each other through the PMC–BLM correspondence principle. Thus, all the features previously observed in the BLM literature are also adaptable to the PMC. The PMC scales and the resulting finite-order PMC predictions are to high accuracy independent of the choice of the initial renormalization scale, and thus consistent with RG invariance. The PMC is also consistent with the renormalization scale-setting procedure for QED in the zero-color limit. The use of the PMC thus eliminates a serious systematic scale error in perturbative QCD predictions, greatly improving the precision of empirical tests of the Standard Model and their sensitivity to new physics.« less

Perturbative Particle Simulation for an Intense Ion Beam in a Periodic Quadrupole Focusing Field

NASA Astrophysics Data System (ADS)

Lee, W. W.

1996-11-01

footnotetext[1]This work is supported the DOE contract DE-AC02-76-CHO-3073. footnotetext[2]In collaboration with Q. Qian and R. C. Davidson, PPPL. Stability and transport properties of an intense ion beam propagating through an alternating-gradient quadrupole focusing field with initial Kapchinskij-Vladimirskij (KV) distribution(I. M. Kapchinksij and V. V. Vladimirskj, Proceedings of the International Conference on High Energy Accelerators and Instrumentation (CERN Geneva, 1959), p. 274.) are studied using newly-developed perturbative particle simulation techniques. Specifically, two different schemes have been investigated: the first is based on the δ f scheme originally developed for tokamak plasmas,(A. Dimits and W. W. Lee, J. Comput. Phys. 107), 309 (1993); S. Parker and W. W. Lee, Phys. Fluids B 5, 77 (1993). and the other is related to the linearized trajectory scheme.(J. Byers, Proceedings of the 4th Conference on Numerical Simulation of Plasmas, (NRL, Washington D.C., 1970),p.496.) While the former is useful for both linear and nonlinear simulations, the latter can be used for benchmark purpose. Stability properties and associated mode structures are investigated over a wide range of beam current and focusing field strength. The new schemes are found to be highly effective in describing detailed properties of beam stability and propagation over long distances. For example, a stable KV beam can indeed propagate over hundreds of lattice period in the simulation with negligible growth. On the other hand, in the unstable region when the beam current is sufficiently high,(I. Hoffman, L. Laslett, L. Smith, and I. Haber, Particle Accelerators 13), 145 (1983). large-amplitude density perturbations with (δ n)_max/hatn0 ~ 1 with low azimuthal harmonic numbers, concentrated near the beam surface, are observed. The corresponding mode structures are of Gaussian shape in the radial direction. The physics of nonlinear saturation and emittance growth will be discussed. The schemes can also be applied to other choices of injected distribution function. It is also intended to use them to study issues such as halo formation, stochasticity, charge homogenization, entropy production and collisionless dissipation. These are critical physics problems in heavy ion fusion and other related fields, that rely on high-brightness and high-current ion beams to deliver high power to the target.(E. P. Lee and J. Hovingh, Fusion Technology 15), 369 (1989). Some of these issues were the focus of a recent investigation.(Q. Qian, R. C. Davidson, and C. Chen, Phys. Plasmas 1), 2674 (1995).

Interface conditions for domain decomposition with radical grid refinement

NASA Technical Reports Server (NTRS)

Scroggs, Jeffrey S.

1991-01-01

Interface conditions for coupling the domains in a physically motivated domain decomposition method are discussed. The domain decomposition is based on an asymptotic-induced method for the numerical solution of hyperbolic conservation laws with small viscosity. The method consists of multiple stages. The first stage is to obtain a first approximation using a first-order method, such as the Godunov scheme. Subsequent stages of the method involve solving internal-layer problem via a domain decomposition. The method is derived and justified via singular perturbation techniques.

A hybrid quantum eraser scheme for characterization of free-space and fiber communication channels

NASA Astrophysics Data System (ADS)

Nape, Isaac; Kyeremah, Charlotte; Vallés, Adam; Rosales-Guzmán, Carmelo; Buah-Bassuah, Paul K.; Forbes, Andrew

2018-02-01

We demonstrate a simple projective measurement based on the quantum eraser concept that can be used to characterize the disturbances of any communication channel. Quantum erasers are commonly implemented as spatially separated path interferometric schemes. Here we exploit the advantages of redefining the which-path information in terms of spatial modes, replacing physical paths with abstract paths of orbital angular momentum (OAM). Remarkably, vector modes (natural modes of free-space and fiber) have a non-separable feature of spin-orbit coupled states, equivalent to the description of two independently marked paths. We explore the effects of fiber perturbations by probing a step-index optical fiber channel with a vector mode, relevant to high-order spatial mode encoding of information for ultra-fast fiber communications.

Proton mass decomposition

NASA Astrophysics Data System (ADS)

Yang, Yi-Bo; Chen, Ying; Draper, Terrence; Liang, Jian; Liu, Keh-Fei

2018-03-01

We report the results on the proton mass decomposition and also on the related quark and glue momentum fractions. The results are based on overlap valence fermions on four ensembles of Nf = 2 + 1 DWF configurations with three lattice spacings and volumes, and several pion masses including the physical pion mass. With 1-loop pertur-bative calculation and proper normalization of the glue operator, we find that the u, d, and s quark masses contribute 9(2)% to the proton mass. The quark energy and glue field energy contribute 31(5)% and 37(5)% respectively in the MS scheme at µ = 2 GeV. The trace anomaly gives the remaining 23(1)% contribution. The u, d, s and glue momentum fractions in the MS scheme are consistent with the global analysis at µ = 2 GeV.

A Spatiotemporal-Chaos-Based Cryptosystem Taking Advantage of Both Synchronous and Self-Synchronizing Schemes

NASA Astrophysics Data System (ADS)

Lü, Hua-Ping; Wang, Shi-Hong; Li, Xiao-Wen; Tang, Guo-Ning; Kuang, Jin-Yu; Ye, Wei-Ping; Hu, Gang

2004-06-01

Two-dimensional one-way coupled map lattices are used for cryptography where multiple space units produce chaotic outputs in parallel. One of the outputs plays the role of driving for synchronization of the decryption system while the others perform the function of information encoding. With this separation of functions the receiver can establish a self-checking and self-correction mechanism, and enjoys the advantages of both synchronous and self-synchronizing schemes. A comparison between the present system with the system of advanced encryption standard (AES) is presented in the aspect of channel noise influence. Numerical investigations show that our system is much stronger than AES against channel noise perturbations, and thus can be better used for secure communications with large channel noise.

Distributed Noise Generation for Density Estimation Based Clustering without Trusted Third Party

NASA Astrophysics Data System (ADS)

Su, Chunhua; Bao, Feng; Zhou, Jianying; Takagi, Tsuyoshi; Sakurai, Kouichi

The rapid growth of the Internet provides people with tremendous opportunities for data collection, knowledge discovery and cooperative computation. However, it also brings the problem of sensitive information leakage. Both individuals and enterprises may suffer from the massive data collection and the information retrieval by distrusted parties. In this paper, we propose a privacy-preserving protocol for the distributed kernel density estimation-based clustering. Our scheme applies random data perturbation (RDP) technique and the verifiable secret sharing to solve the security problem of distributed kernel density estimation in [4] which assumed a mediate party to help in the computation.

Small deformations of kinks and walls

NASA Astrophysics Data System (ADS)

Morris, J. R.

2018-06-01

A Rayleigh-Schrödinger type of perturbation scheme is employed to study weak self-interacting scalar potential perturbations occurring in scalar field models describing 1D domain kinks and 3D domain walls. The solutions for the unperturbed defects are modified by the perturbing potentials. An illustration is provided by adding a cubic potential to the familiar quartic kink potential and solving for the first order correction to the kink solution, using a "slab approximation". A result is the appearance of an asymmetric scalar potential with different, nondegenerate, vacuum values and the subsequent formation of vacuum bubbles.

Coordinated single-phase control scheme for voltage unbalance reduction in low voltage network.

PubMed

Pullaguram, Deepak; Mishra, Sukumar; Senroy, Nilanjan

2017-08-13

Low voltage (LV) distribution systems are typically unbalanced in nature due to unbalanced loading and unsymmetrical line configuration. This situation is further aggravated by single-phase power injections. A coordinated control scheme is proposed for single-phase sources, to reduce voltage unbalance. A consensus-based coordination is achieved using a multi-agent system, where each agent estimates the averaged global voltage and current magnitudes of individual phases in the LV network. These estimated values are used to modify the reference power of individual single-phase sources, to ensure system-wide balanced voltages and proper power sharing among sources connected to the same phase. Further, the high X / R ratio of the filter, used in the inverter of the single-phase source, enables control of reactive power, to minimize voltage unbalance locally. The proposed scheme is validated by simulating a LV distribution network with multiple single-phase sources subjected to various perturbations.This article is part of the themed issue 'Energy management: flexibility, risk and optimization'. © 2017 The Author(s).

Nonlinear Fourier transform—towards the construction of nonlinear Fourier modes

NASA Astrophysics Data System (ADS)

Saksida, Pavle

2018-01-01

We study a version of the nonlinear Fourier transform associated with ZS-AKNS systems. This version is suitable for the construction of nonlinear analogues of Fourier modes, and for the perturbation-theoretic study of their superposition. We provide an iterative scheme for computing the inverse of our transform. The relevant formulae are expressed in terms of Bell polynomials and functions related to them. In order to prove the validity of our iterative scheme, we show that our transform has the necessary analytic properties. We show that up to order three of the perturbation parameter, the nonlinear Fourier mode is a complex sinusoid modulated by the second Bernoulli polynomial. We describe an application of the nonlinear superposition of two modes to a problem of transmission through a nonlinear medium.

Novel Hybrid Adaptive Controller for Manipulation in Complex Perturbation Environments

PubMed Central

Smith, Alex M. C.; Yang, Chenguang; Ma, Hongbin; Culverhouse, Phil; Cangelosi, Angelo; Burdet, Etienne

2015-01-01

In this paper we present a hybrid control scheme, combining the advantages of task-space and joint-space control. The controller is based on a human-like adaptive design, which minimises both control effort and tracking error. Our novel hybrid adaptive controller has been tested in extensive simulations, in a scenario where a Baxter robot manipulator is affected by external disturbances in the form of interaction with the environment and tool-like end-effector perturbations. The results demonstrated improved performance in the hybrid controller over both of its component parts. In addition, we introduce a novel method for online adaptation of learning parameters, using the fuzzy control formalism to utilise expert knowledge from the experimenter. This mechanism of meta-learning induces further improvement in performance and avoids the need for tuning through trial testing. PMID:26029916

Linear Response Function of Bond-Order

PubMed Central

Suzuki, Nayuta; Mitsuta, Yuki; Okumura, Mitsutaka; Yamanaka, Shusuke

2016-01-01

We present the linear response function of bond-orders (LRF-BO) based on a real space integration scheme for molecular systems. As in the case of the LRF of density, the LRF-BO is defined as the response of the bond order of the molecule for the virtual perturbation. Our calculations show that the LRF-BO enables us not only to detect inductive and resonating effects of conjugating systems, but also to predict pKa values on substitution groups via linear relationships between the Hammett constants and the LRF-BO values for meta- and para-substituted benzoic acids. More importantly, the LRF-BO values for the O-H bonds strongly depend on the sites to which the virtual perturbation is applied, implying that the LRF-BO values include essential information about reaction mechanism of the acid-dissociation of substituted benzoic acids. PMID:27792148

Elastic least-squares reverse time migration with velocities and density perturbation

NASA Astrophysics Data System (ADS)

Qu, Yingming; Li, Jinli; Huang, Jianping; Li, Zhenchun

2018-02-01

Elastic least-squares reverse time migration (LSRTM) based on the non-density-perturbation assumption can generate false-migrated interfaces caused by density variations. We perform an elastic LSRTM scheme with density variations for multicomponent seismic data to produce high-quality images in Vp, Vs and ρ components. However, the migrated images may suffer from crosstalk artefacts caused by P- and S-waves coupling in elastic LSRTM no matter what model parametrizations used. We have proposed an elastic LSRTM with density variations method based on wave modes separation to reduce these crosstalk artefacts by using P- and S-wave decoupled elastic velocity-stress equations to derive demigration equations and gradient formulae with respect to Vp, Vs and ρ. Numerical experiments with synthetic data demonstrate the capability and superiority of the proposed method. The imaging results suggest that our method promises imaging results with higher quality and has a faster residual convergence rate. Sensitivity analysis of migration velocity, migration density and stochastic noise verifies the robustness of the proposed method for field data.

Density functional perturbational orbital theory of spin polarization in electronic systems. II. Transition metal dimer complexes.

PubMed

Seo, Dong-Kyun

2007-11-14

We present a theoretical scheme for a semiquantitative analysis of electronic structures of magnetic transition metal dimer complexes within spin density functional theory (DFT). Based on the spin polarization perturbational orbital theory [D.-K. Seo, J. Chem. Phys. 125, 154105 (2006)], explicit spin-dependent expressions of the spin orbital energies and coefficients are derived, which allows to understand how spin orbitals form and change their energies and shapes when two magnetic sites are coupled either ferromagnetically or antiferromagnetically. Upon employment of the concept of magnetic orbitals in the active-electron approximation, a general mathematical formula is obtained for the magnetic coupling constant J from the analytical expression for the electronic energy difference between low-spin broken-symmetry and high-spin states. The origin of the potential exchange and kinetic exchange terms based on the one-electron picture is also elucidated. In addition, we provide a general account of the DFT analysis of the magnetic exchange interactions in compounds for which the active-electron approximation is not appropriate.

Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard model

DOE PAGES

Kutepov, A. L.

2015-07-22

Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ₁ from the first-order perturbation theory, and the exact vertex Γ E). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. Results obtained with the exact vertex are directly related to the present open question—which approximation is more advantageous for future implementations, GW + DMFT or QPGW +more » DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on Perturbation Theory systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.« less

The running coupling of the minimal sextet composite Higgs model

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

Fodor, Zoltan; Holland, Kieran; Kuti, Julius

We compute the renormalized running coupling of SU(3) gauge theory coupled to N f = 2 flavors of massless Dirac fermions in the 2-index-symmetric (sextet) representation. This model is of particular interest as a minimal realization of the strongly interacting composite Higgs scenario. A recently proposed finite volume gradient flow scheme is used. The calculations are performed at several lattice spacings with two different implementations of the gradient flow allowing for a controlled continuum extrapolation and particular attention is paid to estimating the systematic uncertainties. For small values of the renormalized coupling our results for the β-function agree with perturbation theory. For moderate couplings we observe a downward deviation relative to the 2-loop β-function but in the coupling range where the continuum extrapolation is fully under control we do not observe an infrared fixed point. The explored range includes the locations of the zero of the 3-loop and the 4-loop β-functions in themore » $$\\overline{MS}$$ scheme. The absence of a non-trivial zero in the β-function in the explored range of the coupling is consistent with our earlier findings based on hadronic observables, the chiral condensate and the GMOR relation. The present work is the first to report continuum non-perturbative results for the sextet model.« less

Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: exactly solvable two-site Hubbard model.

PubMed

Kutepov, A L

2015-08-12

Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ1 from the first-order perturbation theory, and the exact vertex Γ(E)). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. The results obtained with the exact vertex are directly related to the present open question-which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on perturbation theory (PT) systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

Telephony-based voice pathology assessment using automated speech analysis.

PubMed

Moran, Rosalyn J; Reilly, Richard B; de Chazal, Philip; Lacy, Peter D

2006-03-01

A system for remotely detecting vocal fold pathologies using telephone-quality speech is presented. The system uses a linear classifier, processing measurements of pitch perturbation, amplitude perturbation and harmonic-to-noise ratio derived from digitized speech recordings. Voice recordings from the Disordered Voice Database Model 4337 system were used to develop and validate the system. Results show that while a sustained phonation, recorded in a controlled environment, can be classified as normal or pathologic with accuracy of 89.1%, telephone-quality speech can be classified as normal or pathologic with an accuracy of 74.2%, using the same scheme. Amplitude perturbation features prove most robust for telephone-quality speech. The pathologic recordings were then subcategorized into four groups, comprising normal, neuromuscular pathologic, physical pathologic and mixed (neuromuscular with physical) pathologic. A separate classifier was developed for classifying the normal group from each pathologic subcategory. Results show that neuromuscular disorders could be detected remotely with an accuracy of 87%, physical abnormalities with an accuracy of 78% and mixed pathology voice with an accuracy of 61%. This study highlights the real possibility for remote detection and diagnosis of voice pathology.

Approximate non-linear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-03-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-waves scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform (GRT). After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic non-linear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P-wave and S-wave information.

Updating signal typing in voice: addition of type 4 signals.

PubMed

Sprecher, Alicia; Olszewski, Aleksandra; Jiang, Jack J; Zhang, Yu

2010-06-01

The addition of a fourth type of voice to Titze's voice classification scheme is proposed. This fourth voice type is characterized by primarily stochastic noise behavior and is therefore unsuitable for both perturbation and correlation dimension analysis. Forty voice samples were classified into the proposed four types using narrowband spectrograms. Acoustic, perceptual, and correlation dimension analyses were completed for all voice samples. Perturbation measures tended to increase with voice type. Based on reliability cutoffs, the type 1 and type 2 voices were considered suitable for perturbation analysis. Measures of unreliability were higher for type 3 and 4 voices. Correlation dimension analyses increased significantly with signal type as indicated by a one-way analysis of variance. Notably, correlation dimension analysis could not quantify the type 4 voices. The proposed fourth voice type represents a subset of voices dominated by noise behavior. Current measures capable of evaluating type 4 voices provide only qualitative data (spectrograms, perceptual analysis, and an infinite correlation dimension). Type 4 voices are highly complex and the development of objective measures capable of analyzing these voices remains a topic of future investigation.

Approximate nonlinear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-07-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-wave scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform. After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic nonlinear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P- and S-wave information.

Projecting future precipitation and temperature at sites with diverse climate through multiple statistical downscaling schemes

NASA Astrophysics Data System (ADS)

Vallam, P.; Qin, X. S.

2017-10-01

Anthropogenic-driven climate change would affect the global ecosystem and is becoming a world-wide concern. Numerous studies have been undertaken to determine the future trends of meteorological variables at different scales. Despite these studies, there remains significant uncertainty in the prediction of future climates. To examine the uncertainty arising from using different schemes to downscale the meteorological variables for the future horizons, projections from different statistical downscaling schemes were examined. These schemes included statistical downscaling method (SDSM), change factor incorporated with LARS-WG, and bias corrected disaggregation (BCD) method. Global circulation models (GCMs) based on CMIP3 (HadCM3) and CMIP5 (CanESM2) were utilized to perturb the changes in the future climate. Five study sites (i.e., Alice Springs, Edmonton, Frankfurt, Miami, and Singapore) with diverse climatic conditions were chosen for examining the spatial variability of applying various statistical downscaling schemes. The study results indicated that the regions experiencing heavy precipitation intensities were most likely to demonstrate the divergence between the predictions from various statistical downscaling methods. Also, the variance computed in projecting the weather extremes indicated the uncertainty derived from selection of downscaling tools and climate models. This study could help gain an improved understanding about the features of different downscaling approaches and the overall downscaling uncertainty.

Perturbed dark and singular optical solitons in polarization preserving fibers by modified simple equation method

NASA Astrophysics Data System (ADS)

Yaşar, Emrullah; Yıldırım, Yakup; Zhou, Qin; Moshokoa, Seithuti P.; Ullah, Malik Zaka; Triki, Houria; Biswas, Anjan; Belic, Milivoj

2017-11-01

This paper obtains optical soliton solution to perturbed nonlinear Schrödinger's equation by modified simple equation method. There are four types of nonlinear fibers studied in this paper. They are Anti-cubic law, Quadratic-cubic law, Cubic-quintic-septic law and Triple-power law. Dark and singular soliton solutions are derived. Additional solutions such as singular periodic solutions also fall out of the integration scheme.

FBG Interrogation Method with High Resolution and Response Speed Based on a Reflective-Matched FBG Scheme

PubMed Central

Cui, Jiwen; Hu, Yang; Feng, Kunpeng; Li, Junying; Tan, Jiubin

2015-01-01

In this paper, a high resolution and response speed interrogation method based on a reflective-matched Fiber Bragg Grating (FBG) scheme is investigated in detail. The nonlinear problem of the reflective-matched FBG sensing interrogation scheme is solved by establishing and optimizing the mathematical model. A mechanical adjustment to optimize the interrogation method by tuning the central wavelength of the reference FBG to improve the stability and anti-temperature perturbation performance is investigated. To satisfy the measurement requirements of optical and electric signal processing, a well- designed acquisition circuit board is prepared, and experiments on the performance of the interrogation method are carried out. The experimental results indicate that the optical power resolution of the acquisition circuit border is better than 8 pW, and the stability of the interrogation method with the mechanical adjustment can reach 0.06%. Moreover, the nonlinearity of the interrogation method is 3.3% in the measurable range of 60 pm; the influence of temperature is significantly reduced to 9.5%; the wavelength resolution and response speed can achieve values of 0.3 pm and 500 kHz, respectively. PMID:26184195

FBG Interrogation Method with High Resolution and Response Speed Based on a Reflective-Matched FBG Scheme.

PubMed

Cui, Jiwen; Hu, Yang; Feng, Kunpeng; Li, Junying; Tan, Jiubin

2015-07-08

In this paper, a high resolution and response speed interrogation method based on a reflective-matched Fiber Bragg Grating (FBG) scheme is investigated in detail. The nonlinear problem of the reflective-matched FBG sensing interrogation scheme is solved by establishing and optimizing the mathematical model. A mechanical adjustment to optimize the interrogation method by tuning the central wavelength of the reference FBG to improve the stability and anti-temperature perturbation performance is investigated. To satisfy the measurement requirements of optical and electric signal processing, a well- designed acquisition circuit board is prepared, and experiments on the performance of the interrogation method are carried out. The experimental results indicate that the optical power resolution of the acquisition circuit border is better than 8 pW, and the stability of the interrogation method with the mechanical adjustment can reach 0.06%. Moreover, the nonlinearity of the interrogation method is 3.3% in the measurable range of 60 pm; the influence of temperature is significantly reduced to 9.5%; the wavelength resolution and response speed can achieve values of 0.3 pm and 500 kHz, respectively.

Mesoscale model response to random, surface-based perturbations — A sea-breeze experiment

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Pielke, R. A.; Miller, W. F.; Lee, T. J.

1990-09-01

The introduction into a mesoscale model of random (in space) variations in roughness length, or random (in space and time) surface perturbations of temperature and friction velocity, produces a measurable, but barely significant, response in the simulated flow dynamics of the lower atmosphere. The perturbations are an attempt to include the effects of sub-grid variability into the ensemble-mean parameterization schemes used in many numerical models. Their magnitude is set in our experiments by appeal to real-world observations of the spatial variations in roughness length and daytime surface temperature over the land on horizontal scales of one to several tens of kilometers. With sea-breeze simulations, comparisons of a number of realizations forced by roughness-length and surface-temperature perturbations with the standard simulation reveal no significant change in ensemble mean statistics, and only small changes in the sea-breeze vertical velocity. Changes in the updraft velocity for individual runs, of up to several cms-1 (compared to a mean of 14 cms-1), are directly the result of prefrontal temperature changes of 0.1 to 0.2K, produced by the random surface forcing. The correlation and magnitude of the changes are entirely consistent with a gravity-current interpretation of the sea breeze.

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

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

Mai, Sebastian; Marquetand, Philipp; González, Leticia

2014-08-21

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbitmore » coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.« less

Thrust at N{sup 3}LL with power corrections and a precision global fit for {alpha}{sub s}(m{sub Z})

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

Abbate, Riccardo; Stewart, Iain W.; Fickinger, Michael

2011-04-01

We give a factorization formula for the e{sup +}e{sup -} thrust distribution d{sigma}/d{tau} with {tau}=1-T based on the soft-collinear effective theory. The result is applicable for all {tau}, i.e. in the peak, tail, and far-tail regions. The formula includes O({alpha}{sub s}{sup 3}) fixed-order QCD results, resummation of singular partonic {alpha}{sub s}{sup j}ln{sup k}({tau})/{tau} terms with N{sup 3}LL accuracy, hadronization effects from fitting a universal nonperturbative soft function defined with field theory, bottom quark mass effects, QED corrections, and the dominant top mass dependent terms from the axial anomaly. We do not rely on Monte Carlo generators to determine nonperturbative effectsmore » since they are not compatible with higher order perturbative analyses. Instead our treatment is based on fitting nonperturbative matrix elements in field theory, which are moments {Omega}{sub i} of a nonperturbative soft function. We present a global analysis of all available thrust data measured at center-of-mass energies Q=35-207 GeV in the tail region, where a two-parameter fit to {alpha}{sub s}(m{sub Z}) and the first moment {Omega}{sub 1} suffices. We use a short-distance scheme to define {Omega}{sub 1}, called the R-gap scheme, thus ensuring that the perturbative d{sigma}/d{tau} does not suffer from an O({Lambda}{sub QCD}) renormalon ambiguity. We find {alpha}{sub s}(m{sub Z})=0.1135{+-}(0.0002){sub expt{+-}}(0.0005){sub hadr{+-}}(0.0009){sub pert}, with {chi}{sup 2}/dof=0.91, where the displayed 1-sigma errors are the total experimental error, the hadronization uncertainty, and the perturbative theory uncertainty, respectively. The hadronization uncertainty in {alpha}{sub s} is significantly decreased compared to earlier analyses by our two-parameter fit, which determines {Omega}{sub 1}=0.323 GeV with 16% uncertainty.« less

Asteroid mass estimation with Markov-chain Monte Carlo

NASA Astrophysics Data System (ADS)

Siltala, Lauri; Granvik, Mikael

2017-10-01

Estimates for asteroid masses are based on their gravitational perturbations on the orbits of other objects such as Mars, spacecraft, or other asteroids and/or their satellites. In the case of asteroid-asteroid perturbations, this leads to a 13-dimensional inverse problem at minimum where the aim is to derive the mass of the perturbing asteroid and six orbital elements for both the perturbing asteroid and the test asteroid by fitting their trajectories to their observed positions. The fitting has typically been carried out with linearized methods such as the least-squares method. These methods need to make certain assumptions regarding the shape of the probability distributions of the model parameters. This is problematic as these assumptions have not been validated. We have developed a new Markov-chain Monte Carlo method for mass estimation which does not require an assumption regarding the shape of the parameter distribution. Recently, we have implemented several upgrades to our MCMC method including improved schemes for handling observational errors and outlier data alongside the option to consider multiple perturbers and/or test asteroids simultaneously. These upgrades promise significantly improved results: based on two separate results for (19) Fortuna with different test asteroids we previously hypothesized that simultaneous use of both test asteroids would lead to an improved result similar to the average literature value for (19) Fortuna with substantially reduced uncertainties. Our upgraded algorithm indeed finds a result essentially equal to the literature value for this asteroid, confirming our previous hypothesis. Here we show these new results for (19) Fortuna and other example cases, and compare our results to previous estimates. Finally, we discuss our plans to improve our algorithm further, particularly in connection with Gaia.

Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems

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

Varandas, A. J. C., E-mail: varandas@uc.pt; Departamento de Física, Universidade Federal do Espírito Santo, 29075-910 Vitória; Pansini, F. N. N.

2014-12-14

A method previously suggested to calculate the correlation energy at the complete one-electron basis set limit by reassignment of the basis hierarchical numbers and use of the unified singlet- and triplet-pair extrapolation scheme is applied to a test set of 106 systems, some with up to 48 electrons. The approach is utilized to obtain extrapolated correlation energies from raw values calculated with second-order Møller-Plesset perturbation theory and the coupled-cluster singles and doubles excitations method, some of the latter also with the perturbative triples corrections. The calculated correlation energies have also been used to predict atomization energies within an additive scheme.more » Good agreement is obtained with the best available estimates even when the (d, t) pair of hierarchical numbers is utilized to perform the extrapolations. This conceivably justifies that there is no strong reason to exclude double-zeta energies in extrapolations, especially if the basis is calibrated to comply with the theoretical model.« less

Floating phase in the one-dimensional transverse axial next-nearest-neighbor Ising model.

PubMed

Chandra, Anjan Kumar; Dasgupta, Subinay

2007-02-01

To study the ground state of an axial next-nearest-neighbor Ising chain under transverse field as a function of frustration parameter kappa and field strength Gamma, we present here two different perturbative analyses. In one, we consider the (known) ground state at kappa=0.5 and Gamma=0 as the unperturbed state and treat an increase of the field from 0 to Gamma coupled with an increase of kappa from 0.5 to 0.5+rGamma/J as perturbation. The first-order perturbation correction to eigenvalue can be calculated exactly and we could conclude that there are only two phase-transition lines emanating from the point kappa=0.5, Gamma=0. In the second perturbation scheme, we consider the number of domains of length 1 as the perturbation and obtain the zeroth-order eigenfunction for the perturbed ground state. From the longitudinal spin-spin correlation, we conclude that floating phase exists for small values of transverse field over the entire region intermediate between the ferromagnetic phase and antiphase.

A perturbative solution to metadynamics ordinary differential equation

NASA Astrophysics Data System (ADS)

Tiwary, Pratyush; Dama, James F.; Parrinello, Michele

2015-12-01

Metadynamics is a popular enhanced sampling scheme wherein by periodic application of a repulsive bias, one can surmount high free energy barriers and explore complex landscapes. Recently, metadynamics was shown to be mathematically well founded, in the sense that the biasing procedure is guaranteed to converge to the true free energy surface in the long time limit irrespective of the precise choice of biasing parameters. A differential equation governing the post-transient convergence behavior of metadynamics was also derived. In this short communication, we revisit this differential equation, expressing it in a convenient and elegant Riccati-like form. A perturbative solution scheme is then developed for solving this differential equation, which is valid for any generic biasing kernel. The solution clearly demonstrates the robustness of metadynamics to choice of biasing parameters and gives further confidence in the widely used method.

A perturbative solution to metadynamics ordinary differential equation.

PubMed

Tiwary, Pratyush; Dama, James F; Parrinello, Michele

2015-12-21

Metadynamics is a popular enhanced sampling scheme wherein by periodic application of a repulsive bias, one can surmount high free energy barriers and explore complex landscapes. Recently, metadynamics was shown to be mathematically well founded, in the sense that the biasing procedure is guaranteed to converge to the true free energy surface in the long time limit irrespective of the precise choice of biasing parameters. A differential equation governing the post-transient convergence behavior of metadynamics was also derived. In this short communication, we revisit this differential equation, expressing it in a convenient and elegant Riccati-like form. A perturbative solution scheme is then developed for solving this differential equation, which is valid for any generic biasing kernel. The solution clearly demonstrates the robustness of metadynamics to choice of biasing parameters and gives further confidence in the widely used method.

Effect of the pump rate and loss perturbations on the lasing dynamics of a Fabry-Perot laser

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

Kumar, N; Ledenev, V I

2010-11-13

Transition from generation of the fundamental mode to generation of the fundamental and first modes is studied numerically under the action of nonstationary asymmetric perturbations of pump rate and loss distributions in the active medium layer. It is shown that emergence of perturbations directly leads to excitation of the first mode with significant amplitude. The regime of two-mode lasing in the presence of perturbations is shown to appear at a pump rate that is smaller than the threshold one for two-mode lasing in the absence of perturbations. It is found that the first-mode amplitude has a maximum at a frequencymore » of intermode beatings of an unfilled Fabry-Perot resonator. It is also determined that emergence of nonstationary asymmetric perturbations leads to an increase in the average intensity of the fundamental mode. Various transition regimes to two-mode lasing are compared in different types and periods of perturbations. The operability of the scheme controlling the mode composition of laser radiation is considered. (lasers)« less

Ideas for a pattern-oriented approach towards a VERA analysis ensemble

NASA Astrophysics Data System (ADS)

Gorgas, T.; Dorninger, M.

2010-09-01

Ideas for a pattern-oriented approach towards a VERA analysis ensemble For many applications in meteorology and especially for verification purposes it is important to have some information about the uncertainties of observation and analysis data. A high quality of these "reference data" is an absolute necessity as the uncertainties are reflected in verification measures. The VERA (Vienna Enhanced Resolution Analysis) scheme includes a sophisticated quality control tool which accounts for the correction of observational data and provides an estimation of the observation uncertainty. It is crucial for meteorologically and physically reliable analysis fields. VERA is based on a variational principle and does not need any first guess fields. It is therefore NWP model independent and can also be used as an unbiased reference for real time model verification. For downscaling purposes VERA uses an a priori knowledge on small-scale physical processes over complex terrain, the so called "fingerprint technique", which transfers information from rich to data sparse regions. The enhanced Joint D-PHASE and COPS data set forms the data base for the analysis ensemble study. For the WWRP projects D-PHASE and COPS a joint activity has been started to collect GTS and non-GTS data from the national and regional meteorological services in Central Europe for 2007. Data from more than 11.000 stations are available for high resolution analyses. The usage of random numbers as perturbations for ensemble experiments is a common approach in meteorology. In most implementations, like for NWP-model ensemble systems, the focus lies on error growth and propagation on the spatial and temporal scale. When defining errors in analysis fields we have to consider the fact that analyses are not time dependent and that no perturbation method aimed at temporal evolution is possible. Further, the method applied should respect two major sources of analysis errors: Observation errors AND analysis or interpolation errors. With the concept of an analysis ensemble we hope to get a more detailed sight on both sources of analysis errors. For the computation of the VERA ensemble members a sample of Gaussian random perturbations is produced for each station and parameter. The deviation of perturbations is based on the correction proposals by the VERA QC scheme to provide some "natural" limits for the ensemble. In order to put more emphasis on the weather situation we aim to integrate the main synoptic field structures as weighting factors for the perturbations. Two widely approved approaches are used for the definition of these main field structures: The Principal Component Analysis and a 2D-Discrete Wavelet Transform. The results of tests concerning the implementation of this pattern-supported analysis ensemble system and a comparison of the different approaches are given in the presentation.

Control of spiral waves and turbulent states in a cardiac model by travelling-wave perturbations

NASA Astrophysics Data System (ADS)

Wang, Peng-Ye; Xie, Ping; Yin, Hua-Wei

2003-06-01

We propose a travelling-wave perturbation method to control the spatiotemporal dynamics in a cardiac model. It is numerically demonstrated that the method can successfully suppress the wave instability (alternans in action potential duration) in the one-dimensional case and convert spiral waves and turbulent states to the normal travelling wave states in the two-dimensional case. An experimental scheme is suggested which may provide a new design for a cardiac defibrillator.

Controlling spiral waves and turbulent states in cardiac tissue by traveling wave perturbations

NASA Astrophysics Data System (ADS)

Wang, Peng-Ye; Xie, Ping

2000-03-01

We propose a traveling wave perturbation method to control the spatiotemporal dynamics in cardiac tissue. With a two-variable model we demonstrate that the method can successfully suppress the wave instability (alternans in action potential duration) in the one-dimensional case and convert spiral waves and turbulent states to the normal traveling wave state in the two-dimensional case. An experimental scheme is suggested which may provide a new design for a cardiac defibrillator.

Exceptional points enhance sensing in an optical microcavity

NASA Astrophysics Data System (ADS)

Chen, Weijian; Kaya Özdemir, Şahin; Zhao, Guangming; Wiersig, Jan; Yang, Lan

2017-08-01

Sensors play an important part in many aspects of daily life such as infrared sensors in home security systems, particle sensors for environmental monitoring and motion sensors in mobile phones. High-quality optical microcavities are prime candidates for sensing applications because of their ability to enhance light-matter interactions in a very confined volume. Examples of such devices include mechanical transducers, magnetometers, single-particle absorption spectrometers, and microcavity sensors for sizing single particles and detecting nanometre-scale objects such as single nanoparticles and atomic ions. Traditionally, a very small perturbation near an optical microcavity introduces either a change in the linewidth or a frequency shift or splitting of a resonance that is proportional to the strength of the perturbation. Here we demonstrate an alternative sensing scheme, by which the sensitivity of microcavities can be enhanced when operated at non-Hermitian spectral degeneracies known as exceptional points. In our experiments, we use two nanoscale scatterers to tune a whispering-gallery-mode micro-toroid cavity, in which light propagates along a concave surface by continuous total internal reflection, in a precise and controlled manner to exceptional points. A target nanoscale object that subsequently enters the evanescent field of the cavity perturbs the system from its exceptional point, leading to frequency splitting. Owing to the complex-square-root topology near an exceptional point, this frequency splitting scales as the square root of the perturbation strength and is therefore larger (for sufficiently small perturbations) than the splitting observed in traditional non-exceptional-point sensing schemes. Our demonstration of exceptional-point-enhanced sensitivity paves the way for sensors with unprecedented sensitivity.

On the solution of the complex eikonal equation in acoustic VTI media: A perturbation plus optimization scheme

NASA Astrophysics Data System (ADS)

Huang, Xingguo; Sun, Jianguo; Greenhalgh, Stewart

2018-04-01

We present methods for obtaining numerical and analytic solutions of the complex eikonal equation in inhomogeneous acoustic VTI media (transversely isotropic media with a vertical symmetry axis). The key and novel point of the method for obtaining numerical solutions is to transform the problem of solving the highly nonlinear acoustic VTI eikonal equation into one of solving the relatively simple eikonal equation for the background (isotropic) medium and a system of linear partial differential equations. Specifically, to obtain the real and imaginary parts of the complex traveltime in inhomogeneous acoustic VTI media, we generalize a perturbation theory, which was developed earlier for solving the conventional real eikonal equation in inhomogeneous anisotropic media, to the complex eikonal equation in such media. After the perturbation analysis, we obtain two types of equations. One is the complex eikonal equation for the background medium and the other is a system of linearized partial differential equations for the coefficients of the corresponding complex traveltime formulas. To solve the complex eikonal equation for the background medium, we employ an optimization scheme that we developed for solving the complex eikonal equation in isotropic media. Then, to solve the system of linearized partial differential equations for the coefficients of the complex traveltime formulas, we use the finite difference method based on the fast marching strategy. Furthermore, by applying the complex source point method and the paraxial approximation, we develop the analytic solutions of the complex eikonal equation in acoustic VTI media, both for the isotropic and elliptical anisotropic background medium. Our numerical results demonstrate the effectiveness of our derivations and illustrate the influence of the beam widths and the anisotropic parameters on the complex traveltimes.

Efficient algorithms for solution of interference cancellation and channel estimation for mobile OFDM system

NASA Astrophysics Data System (ADS)

Fan, Tong-liang; Wen, Yu-cang; Kadri, Chaibou

Orthogonal frequency-division multiplexing (OFDM) is robust against frequency selective fading because of the increase of the symbol duration. However, the time-varying nature of the channel causes inter-carrier interference (ICI) which destroys the orthogonal of sub-carriers and degrades the system performance severely. To alleviate the detrimental effect of ICI, there is a need for ICI mitigation within one OFDM symbol. We propose an iterative Inter-Carrier Interference (ICI) estimation and cancellation technique for OFDM systems based on regularized constrained total least squares. In the proposed scheme, ICI aren't treated as additional additive white Gaussian noise (AWGN). The effect of Inter-Carrier Interference (ICI) and inter-symbol interference (ISI) on channel estimation is regarded as perturbation of channel. We propose a novel algorithm for channel estimation o based on regularized constrained total least squares. Computer simulations show that significant improvement can be obtained by the proposed scheme in fast fading channels.

Optimal Diabatic Dynamics of Majoarana-based Topological Qubits

NASA Astrophysics Data System (ADS)

Seradjeh, Babak; Rahmani, Armin; Franz, Marcel

In topological quantum computing, unitary operations on qubits are performed by adiabatic braiding of non-Abelian quasiparticles such as Majorana zero modes and are protected from local environmental perturbations. This scheme requires slow operations. By using the Pontryagin's maximum principle, here we show the same quantum gates can be implemented in much shorter times through optimal diabatic pulses. While our fast diabatic gates no not enjoy topological protection, they provide significant practical advantages due to their optimal speed and remarkable robustness to calibration errors and noise. NSERC, CIfAR, NSF DMR- 1350663, BSF 2014345.

A Perturbation Analysis of Harmonics Generation from Saturated Elements in Power Systems

NASA Astrophysics Data System (ADS)

Kumano, Teruhisa

Nonlinear phenomena such as saturation in magnetic flux give considerable effects in power system analysis. It is reported that a failure in a real 500kV system triggered islanding operation, where resultant even harmonics caused malfunctions in protective relays. It is also reported that the major origin of this wave distortion is nothing but unidirectional magnetization of the transformer iron core. Time simulation is widely used today to analyze this type of phenomena, but it has basically two shortcomings. One is that the time simulation takes two much computing time in the vicinity of inflection points in the saturation characteristic curve because certain iterative procedure such as N-R (Newton-Raphson) should be used and such methods tend to be caught in an ill conditioned numerical hunting. The other is that such simulation methods sometimes do not help intuitive understanding of the studied phenomenon because the whole nonlinear equations are treated in a matrix form and not properly divided into understandable parts as done in linear systems. This paper proposes a new computation scheme which is based on so called perturbation method. Magnetic saturation in iron cores in a generator and a transformer are taken into account. The proposed method has a special feature against the first shortcoming of the N-R based time simulation method stated above. In the proposed method no iterative process is used to reduce the equation residue but uses perturbation series, which means free from the ill condition problem. Users have only to calculate each perturbation terms one by one until he reaches necessary accuracy. In a numerical example treated in the present paper the first order perturbation can make reasonably high accuracy, which means very fast computing. In numerical study three nonlinear elements are considered. Calculated results are almost identical to the conventional Newton-Raphson based time simulation, which shows the validity of the method. The proposed method would be effectively used in a screening where many case studies are needed.

The hydrogen atom in D = 3 - 2ɛ dimensions

NASA Astrophysics Data System (ADS)

Adkins, Gregory S.

2018-06-01

The nonrelativistic hydrogen atom in D = 3 - 2 ɛ dimensions is the reference system for perturbative schemes used in dimensionally regularized nonrelativistic effective field theories to describe hydrogen-like atoms. Solutions to the D-dimensional Schrödinger-Coulomb equation are given in the form of a double power series. Energies and normalization integrals are obtained numerically and also perturbatively in terms of ɛ. The utility of the series expansion is demonstrated by the calculation of the divergent expectation value <(V‧)2 >.

Symmetry of spherically converging shock waves through reflection, relating to the shock ignition fusion energy scheme.

PubMed

Davie, C J; Evans, R G

2013-05-03

We examine the properties of perturbed spherically imploding shock waves in an ideal fluid through the collapse, bounce, and development into an outgoing shock wave. We find broad conservation of the size and shape of ingoing and outgoing perturbations when viewed at the same radius. The outgoing shock recovers the velocity of the unperturbed shock outside the strongly distorted core. The results are presented in the context of the robustness of the shock ignition approach to inertial fusion energy.

Sensitivity of a Cloud-Resolving Model to the Bulk and Explicit Bin Microphysical Schemes. Part 1; Validations with a PRE-STORM Case

NASA Technical Reports Server (NTRS)

Li, Xiao-Wen; Tao, Wei-Kuo; Khain, Alexander P.; Simpson, Joanne; Johnson, Daniel E.

2004-01-01

A cloud-resolving model is used to study sensitivities of two different microphysical schemes, one is the bulk type, and the other is an explicit bin scheme, in simulating a mid-latitude squall line case (PRE-STORM, June 10-11, 1985). Simulations using different microphysical schemes are compared with each other and also with the observations. Both the bulk and bin models reproduce the general features during the developing and mature stage of the system. The leading convective zone, the trailing stratiform region, the horizontal wind flow patterns, pressure perturbation associated with the storm dynamics, and the cool pool in front of the system all agree well with the observations. Both the observations and the bulk scheme simulation serve as validations for the newly incorporated bin scheme. However, it is also shown that, the bulk and bin simulations have distinct differences, most notably in the stratiform region. Weak convective cells exist in the stratiform region in the bulk simulation, but not in the bin simulation. These weak convective cells in the stratiform region are remnants of the previous stronger convections at the leading edge of the system. The bin simulation, on the other hand, has a horizontally homogeneous stratiform cloud structure, which agrees better with the observations. Preliminary examinations of the downdraft core strength, the potential temperature perturbation, and the evaporative cooling rate show that the differences between the bulk and bin models are due mainly to the stronger low-level evaporative cooling in convective zone simulated in the bulk model. Further quantitative analysis and sensitivity tests for this case using both the bulk and bin models will be presented in a companion paper.

The Impact of STTP on the GEFS Forecast of Week-2 and Beyond in the Presence of Stochastic Physics

NASA Astrophysics Data System (ADS)

Hou, D.

2015-12-01

The Stochastic Total Tendency Perturbation (STTP) scheme was designed to represent the model related uncertainties not considered in the numerical model itself and the physics based stochastic schemes. It has been applied in NCEP's Global Ensemble Forecast System (GEFS) since 2010, showing significant positive impacts on the forecast with improved spread-error ratio and probabilistic forecast skills. The scheme is robust and it went well with the resolution increases and model improvements in 2012 and 2015 with minimum changes. Recently, a set of stochastic physics schemes are coded in the Global Forecast System model and tested in the GEFS package. With these schemes turned on and STTP off, the forecast performance is comparable or even superior to the operational GEFS, in which STTP is the only contributor to the model related uncertainties. This is true especially in week one. However, over the second week and beyond, both the experimental and the operational GEFS has insufficient spread, especially over the warmer seasons. This is a major challenge when the GEFS is extended to sub-seasonal (week 4-6) time scales. The impact of STTP on the GEFS forecast in the presence of stochastic physics is investigated by turning both the stochastic physics schemes and STTP on and carefully tuning their amplitudes. Analysis will be focused on the forecast of extended range, especially week 2. Its impacts on week 3-4 will also be addressed.

Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.

PubMed

Woo Kim, Hyun; Rhee, Young Min

2012-07-30

Recently, many polarizable force fields have been devised to describe induction effects between molecules. In popular polarizable models based on induced dipole moments, atomic polarizabilities are the essential parameters and should be derived carefully. Here, we present a parameterization scheme for atomic polarizabilities using a minimization target function containing both molecular and atomic information. The main idea is to adopt reference data only from quantum chemical calculations, to perform atomic polarizability parameterizations even when relevant experimental data are scarce as in the case of electronically excited molecules. Specifically, our scheme assigns the atomic polarizabilities of any given molecule in such a way that its molecular polarizability tensor is well reproduced. We show that our scheme successfully works for various molecules in mimicking dipole responses not only in ground states but also in valence excited states. The electrostatic potential around a molecule with an externally perturbing nearby charge also exhibits a near-quantitative agreement with the reference data from quantum chemical calculations. The limitation of the model with isotropic atoms is also discussed to examine the scope of its applicability. Copyright © 2012 Wiley Periodicals, Inc.

An Empirical Method for Determining the Lunar Gravity Field. Ph.D. Thesis - George Washington Univ.

NASA Technical Reports Server (NTRS)

Ferrari, A. J.

1971-01-01

A method has been devised to determine the spherical harmonic coefficients of the lunar gravity field. This method consists of a two-step data reduction and estimation process. In the first step, a weighted least-squares empirical orbit determination scheme is applied to Doppler tracking data from lunar orbits to estimate long-period Kepler elements and rates. Each of the Kepler elements is represented by an independent function of time. The long-period perturbing effects of the earth, sun, and solar radiation are explicitly modeled in this scheme. Kepler element variations estimated by this empirical processor are ascribed to the non-central lunar gravitation features. Doppler data are reduced in this manner for as many orbits as are available. In the second step, the Kepler element rates are used as input to a second least-squares processor that estimates lunar gravity coefficients using the long-period Lagrange perturbation equations.

Structure of UV divergences in maximally supersymmetric gauge theories

NASA Astrophysics Data System (ADS)

Kazakov, D. I.; Borlakov, A. T.; Tolkachev, D. M.; Vlasenko, D. E.

2018-06-01

We consider the UV divergences up to sub-subleading order for the four-point on-shell scattering amplitudes in D =8 supersymmetric Yang-Mills theory in the planar limit. We trace how the leading, subleading, etc divergences appear in all orders of perturbation theory. The structure of these divergences is typical for any local quantum field theory independently on renormalizability. We show how the generalized renormalization group equations allow one to evaluate the leading, subleading, etc. contributions in all orders of perturbation theory starting from one-, two-, etc. loop diagrams respectively. We focus then on subtraction scheme dependence of the results and show that in full analogy with renormalizable theories the scheme dependence can be absorbed into the redefinition of the couplings. The only difference is that the role of the couplings play dimensionless combinations like g2s2 or g2t2, where s and t are the Mandelstam variables.

Connecting the hadron mass scale to the fundamental mass scale of quantum chromodynamics

DOE PAGES

Deur, Alexandre; Brodsky, Stanley J.; de Teramond, Guy F.

2015-10-01

We establish an explicit connection between the long distance physics of confinement and the dynamical interactions of quarks and gluons at short distances and it has been a long-sought goal of quantum chromodynamics. Using holographic QCD, we derive a direct analytic relation between the scale κ which determines the masses of hadrons and the scale Λ s which controls the predictions of perturbative QCD at very short distances. The resulting prediction Λ s=0.341±0.032 GeV in the MS -scheme agrees well with the experimental average 0.339±0.016 GeV. We also derive a relation between Λs and the QCD string tension σ. Furthermore,more » this connection between the fundamental hadronic scale underlying the physics of quark confinement and the perturbative QCD scale controlling hard collisions can be carried out in any renormalization scheme.« less

Scheme variations of the QCD coupling

NASA Astrophysics Data System (ADS)

Boito, Diogo; Jamin, Matthias; Miravitllas, Ramon

2017-03-01

The Quantum Chromodynamics (QCD) coupling αs is a central parameter in the Standard Model of particle physics. However, it depends on theoretical conventions related to renormalisation and hence is not an observable quantity. In order to capture this dependence in a transparent way, a novel definition of the QCD coupling, denoted by â, is introduced, whose running is explicitly renormalisation scheme invariant. The remaining renormalisation scheme dependence is related to transformations of the QCD scale Λ, and can be parametrised by a single parameter C. Hence, we call â the C-scheme coupling. The dependence on C can be exploited to study and improve perturbative predictions of physical observables. This is demonstrated for the QCD Adler function and hadronic decays of the τ lepton.

Pragmatic approach to gravitational radiation reaction in binary black holes

PubMed

Lousto

2000-06-05

We study the relativistic orbit of binary black holes in systems with small mass ratio. The trajectory of the smaller object (another black hole or a neutron star), represented as a particle, is determined by the geodesic equation on the perturbed massive black hole spacetime. Here we study perturbations around a Schwarzschild black hole using Moncrief's gauge invariant formalism. We decompose the perturbations into l multipoles to show that all l-metric coefficients are C0 at the location of the particle. Summing over l, to reconstruct the full metric, gives a formally divergent result. We succeed in bringing this sum to a Riemann's zeta-function regularization scheme and numerically compute the first-order geodesics.

Structures and Intermittency in a Passive Scalar Model

NASA Astrophysics Data System (ADS)

Vergassola, M.; Mazzino, A.

1997-09-01

Perturbative expansions for intermittency scaling exponents in the Kraichnan passive scalar model [Phys. Rev. Lett. 72, 1016 (1994)] are investigated. A one-dimensional compressible model is considered for this purpose. High resolution Monte Carlo simulations using an Ito approach adapted to an advecting velocity field with a very short correlation time are performed and lead to clean scaling behavior for passive scalar structure functions. Perturbative predictions for the scaling exponents around the Gaussian limit of the model are derived as in the Kraichnan model. Their comparison with the simulations indicates that the scale-invariant perturbative scheme correctly captures the inertial range intermittency corrections associated with the intense localized structures observed in the dynamics.

Instability of Poiseuille flow at extreme Mach numbers: linear analysis and simulations.

PubMed

Xie, Zhimin; Girimaji, Sharath S

2014-04-01

We develop the perturbation equations to describe instability evolution in Poiseuille flow at the limit of very high Mach numbers. At this limit the equation governing the flow is the pressure-released Navier-Stokes equation. The ensuing semianalytical solution is compared against simulations performed using the gas-kinetic method (GKM), resulting in excellent agreement. A similar comparison between analytical and computational results of small perturbation growth is performed at the incompressible (zero Mach number) limit, again leading to excellent agreement. The study accomplishes two important goals: it (i) contrasts the small perturbation evolution in Poiseuille flows at extreme Mach numbers and (ii) provides important verification of the GKM simulation scheme.

Asymptotic-induced numerical methods for conservation laws

NASA Technical Reports Server (NTRS)

Garbey, Marc; Scroggs, Jeffrey S.

1990-01-01

Asymptotic-induced methods are presented for the numerical solution of hyperbolic conservation laws with or without viscosity. The methods consist of multiple stages. The first stage is to obtain a first approximation by using a first-order method, such as the Godunov scheme. Subsequent stages of the method involve solving internal-layer problems identified by using techniques derived via asymptotics. Finally, a residual correction increases the accuracy of the scheme. The method is derived and justified with singular perturbation techniques.

Geometrical effects on the concentrated behavior of heat flux in metamaterials thermal harvesting devices

NASA Astrophysics Data System (ADS)

Xu, Guoqiang; Zhang, Haochun; Xie, Ming; Jin, Yan

2017-10-01

Thermal harvesting devices based on transformation optics, which can manipulate the heat flux concentration significantly through rational arrangements of the conductivities, have attracted considerable interest owing to several great potential applications of the technique for high-efficiency thermal conversion and collection. However, quantitative studies on the geometrical effects, particularly wedge angles, on the harvesting behaviors are rare. In this paper, we adopt wedge structure-based thermal harvesting schemes, and focus on the effects of the geometrical parameters including the radii ratios and wedge angles on the harvesting performance. The temperature deformations at the boundaries of the compressional region and temperature gradients for the different schemes with varying design parameters are investigated. Moreover, a concept for temperature stabilization was derived to evaluate the fluctuation in the energy distributions. In addition, the effects of interface thermal resistances have been investigated. Considering the changes in the radii ratios and wedge angles, we proposed a modification of the harvesting efficiency to quantitatively assess the concentration performance, which was verified through random tests and previously fabricated devices. In general, this study indicates that a smaller radii ratio contributes to a better harvesting behavior, but causes larger perturbations in the thermal profiles owing to a larger heat loss. We also find that a smaller wedge angle is beneficial to ensuring a higher concentration efficiency with less energy perturbations. These findings can be used to guide the improvement of a thermal concentrator with a high efficiency in reference to its potential applications as novel heat storage, thermal sensors, solar cells, and thermoelectric devices.

Simultaneous Mean and Covariance Correction Filter for Orbit Estimation.

PubMed

Wang, Xiaoxu; Pan, Quan; Ding, Zhengtao; Ma, Zhengya

2018-05-05

This paper proposes a novel filtering design, from a viewpoint of identification instead of the conventional nonlinear estimation schemes (NESs), to improve the performance of orbit state estimation for a space target. First, a nonlinear perturbation is viewed or modeled as an unknown input (UI) coupled with the orbit state, to avoid the intractable nonlinear perturbation integral (INPI) required by NESs. Then, a simultaneous mean and covariance correction filter (SMCCF), based on a two-stage expectation maximization (EM) framework, is proposed to simply and analytically fit or identify the first two moments (FTM) of the perturbation (viewed as UI), instead of directly computing such the INPI in NESs. Orbit estimation performance is greatly improved by utilizing the fit UI-FTM to simultaneously correct the state estimation and its covariance. Third, depending on whether enough information is mined, SMCCF should outperform existing NESs or the standard identification algorithms (which view the UI as a constant independent of the state and only utilize the identified UI-mean to correct the state estimation, regardless of its covariance), since it further incorporates the useful covariance information in addition to the mean of the UI. Finally, our simulations demonstrate the superior performance of SMCCF via an orbit estimation example.

Higgs boson decay into b-quarks at NNLO accuracy

NASA Astrophysics Data System (ADS)

Del Duca, Vittorio; Duhr, Claude; Somogyi, Gábor; Tramontano, Francesco; Trócsányi, Zoltán

2015-04-01

We compute the fully differential decay rate of the Standard Model Higgs boson into b-quarks at next-to-next-to-leading order (NNLO) accuracy in αs. We employ a general subtraction scheme developed for the calculation of higher order perturbative corrections to QCD jet cross sections, which is based on the universal infrared factorization properties of QCD squared matrix elements. We show that the subtractions render the various contributions to the NNLO correction finite. In particular, we demonstrate analytically that the sum of integrated subtraction terms correctly reproduces the infrared poles of the two-loop double virtual contribution to this process. We present illustrative differential distributions obtained by implementing the method in a parton level Monte Carlo program. The basic ingredients of our subtraction scheme, used here for the first time to compute a physical observable, are universal and can be employed for the computation of more involved processes.

Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSe.

PubMed

Sharkas, Kamal; Gagliardi, Laura; Truhlar, Donald G

2017-12-07

We investigate the performance of multiconfiguration pair-density functional theory (MC-PDFT) and complete active space second-order perturbation theory for computing the bond dissociation energies of the diatomic molecules FeC, NiC, FeS, NiS, FeSe, and NiSe, for which accurate experimental data have become recently available [Matthew, D. J.; Tieu, E.; Morse, M. D. J. Chem. Phys. 2017, 146, 144310-144320]. We use three correlated participating orbital (CPO) schemes (nominal, moderate, and extended) to define the active spaces, and we consider both the complete active space (CAS) and the separated-pair (SP) schemes to specify the configurations included for a given active space. We found that the moderate SP-PDFT scheme with the tPBE on-top density functional has the smallest mean unsigned error (MUE) of the methods considered. This level of theory provides a balanced treatment of the static and dynamic correlation energies for the studied systems. This is encouraging because the method is low in cost even for much more complicated systems.

Climateprediction.com: Public Involvement, Multi-Million Member Ensembles and Systematic Uncertainty Analysis

NASA Astrophysics Data System (ADS)

Stainforth, D. A.; Allen, M.; Kettleborough, J.; Collins, M.; Heaps, A.; Stott, P.; Wehner, M.

2001-12-01

The climateprediction.com project is preparing to carry out the first systematic uncertainty analysis of climate forecasts using large ensembles of GCM climate simulations. This will be done by involving schools, businesses and members of the public, and utilizing the novel technology of distributed computing. Each participant will be asked to run one member of the ensemble on their PC. The model used will initially be the UK Met Office's Unified Model (UM). It will be run under Windows and software will be provided to enable those involved to view their model output as it develops. The project will use this method to carry out large perturbed physics GCM ensembles and thereby analyse the uncertainty in the forecasts from such models. Each participant/ensemble member will therefore have a version of the UM in which certain aspects of the model physics have been perturbed from their default values. Of course the non-linear nature of the system means that it will be necessary to look not just at perturbations to individual parameters in specific schemes, such as the cloud parameterization, but also to the many combinations of perturbations. This rapidly leads to the need for very large, perhaps multi-million member ensembles, which could only be undertaken using the distributed computing methodology. The status of the project will be presented and the Windows client will be demonstrated. In addition, initial results will be presented from beta test runs using a demo release for Linux PCs and Alpha workstations. Although small by comparison to the whole project, these pilot results constitute a 20-50 member perturbed physics climate ensemble with results indicating how climate sensitivity can be substantially affected by individual parameter values in the cloud scheme.

A Philosophical Approach to Quantum Field Theory

NASA Astrophysics Data System (ADS)

Öttinger, Hans Christian

2018-01-01

Preface; Acknowledgements; 1. Approach to quantum field theory; 2. Scalar field theory; 3. Quantum electrodynamics; 4. Perspectives; Appendix A. An efficient perturbation scheme; Appendix B. Properties of Dirac matrices; Appendix C. Baker-Campbell-Hausdorff formulas; References; Author index; Subject index.

Dimension-5 C P -odd operators: QCD mixing and renormalization

DOE PAGES

Bhattacharya, Tanmoy; Cirigliano, Vincenzo; Gupta, Rajan; ...

2015-12-23

Here, we study the off-shell mixing and renormalization of flavor-diagonal dimension-five T- and P-odd operators involving quarks, gluons, and photons, including quark electric dipole and chromoelectric dipole operators. Furthermore, we present the renormalization matrix to one loop in themore » $$\\bar{MS}$$ scheme. We also provide a definition of the quark chromoelectric dipole operator in a regularization-independent momentum-subtraction scheme suitable for nonperturbative lattice calculations and present the matching coefficients with the $$\\bar{MS}$$ scheme to one loop in perturbation theory, using both the naïve dimensional regularization and ’t Hooft–Veltman prescriptions for γ 5.« less

Power corrections in the N -jettiness subtraction scheme

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

Boughezal, Radja; Liu, Xiaohui; Petriello, Frank

We discuss the leading-logarithmic power corrections in the N-jettiness subtraction scheme for higher-order perturbative QCD calculations. We compute the next-to-leading order power corrections for an arbitrary N-jet process, and we explicitly calculate the power correction through next-to-next-to-leading order for color-singlet production for bothmore » $$q\\bar{q}$$ and gg initiated processes. Our results are compact and simple to implement numerically. Including the leading power correction in the N-jettiness subtraction scheme substantially improves its numerical efficiency. Finally, we discuss what features of our techniques extend to processes containing final-state jets.« less

Power corrections in the N -jettiness subtraction scheme

DOE PAGES

Boughezal, Radja; Liu, Xiaohui; Petriello, Frank

2017-03-30

We discuss the leading-logarithmic power corrections in the N-jettiness subtraction scheme for higher-order perturbative QCD calculations. We compute the next-to-leading order power corrections for an arbitrary N-jet process, and we explicitly calculate the power correction through next-to-next-to-leading order for color-singlet production for bothmore » $$q\\bar{q}$$ and gg initiated processes. Our results are compact and simple to implement numerically. Including the leading power correction in the N-jettiness subtraction scheme substantially improves its numerical efficiency. Finally, we discuss what features of our techniques extend to processes containing final-state jets.« less

Driven similarity renormalization group: Third-order multireference perturbation theory

DOE PAGES

Li, Chenyang; Evangelista, Francesco A.

2017-03-28

Here, a third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2, H 2O 2, C 2H 6, and N 2 along the F–F, O–O, C–C, and N–N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbationmore » theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST = E T–E S) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol –1, a value that is within 0.1 kcal mol –1 from multireference coupled cluster results.« less

Driven similarity renormalization group: Third-order multireference perturbation theory

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

Li, Chenyang; Evangelista, Francesco A.

Here, a third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2, H 2O 2, C 2H 6, and N 2 along the F–F, O–O, C–C, and N–N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbationmore » theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST = E T–E S) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol –1, a value that is within 0.1 kcal mol –1 from multireference coupled cluster results.« less

Forward-backward scheme on the B/E grid modified to suppress lattice separation: the two versions, and any impact of the choice made?

NASA Astrophysics Data System (ADS)

Mesinger, Fedor; Popovic, Jelena

2010-09-01

Ever since its introduction to meteorology in the early 1970s, the forward-backward scheme has proven to be a very efficient method of treating gravity waves, with an added bonus of avoiding the time computational mode of the leapfrog scheme. It has been and it is used today in a number of models. When used on a square grid other than the Arakawa C grid, modification is or modifications are available to suppress the noise-generating separation of solutions on elementary C grids. Yet, in spite of a number of papers addressing the scheme and its modification, or modifications, issues remain that have either not been addressed or have been commented upon in a misleading or even in an incorrect way. Specifically, restricting ourselves to the B/E grid does it matter and if so how which of the two equations, momentum and the continuity equation, is integrated forward? Is there just one modification suppressing the separation of solutions, or have there been proposed two modification schemes? Questions made are addressed and a number of misleading statements made are recalled and commented upon. In particular, it is demonstrated that there is no added computational cost in integrating the momentum equation forward, and it is pointed out that this would seem advantageous given the height perturbations excited in the first step following a perturbation at a single height point. Yet, 48-h numerical experiments with a full-physics model show only a barely visible difference between the forecasts done using one and the other equation forward.

A new line-of-sight approach to the non-linear Cosmic Microwave Background

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

Fidler, Christian; Koyama, Kazuya; Pettinari, Guido W., E-mail: christian.fidler@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk, E-mail: guido.pettinari@gmail.com

2015-04-01

We develop the transport operator formalism, a new line-of-sight integration framework to calculate the anisotropies of the Cosmic Microwave Background (CMB) at the linear and non-linear level. This formalism utilises a transformation operator that removes all inhomogeneous propagation effects acting on the photon distribution function, thus achieving a split between perturbative collisional effects at recombination and non-perturbative line-of-sight effects at later times. The former can be computed in the framework of standard cosmological perturbation theory with a second-order Boltzmann code such as SONG, while the latter can be treated within a separate perturbative scheme allowing the use of non-linear Newtonianmore » potentials. We thus provide a consistent framework to compute all physical effects contained in the Boltzmann equation and to combine the standard remapping approach with Boltzmann codes at any order in perturbation theory, without assuming that all sources are localised at recombination.« less

Renormalization group invariance and optimal QCD renormalization scale-setting: a key issues review

NASA Astrophysics Data System (ADS)

Wu, Xing-Gang; Ma, Yang; Wang, Sheng-Quan; Fu, Hai-Bing; Ma, Hong-Hao; Brodsky, Stanley J.; Mojaza, Matin

2015-12-01

A valid prediction for a physical observable from quantum field theory should be independent of the choice of renormalization scheme—this is the primary requirement of renormalization group invariance (RGI). Satisfying scheme invariance is a challenging problem for perturbative QCD (pQCD), since a truncated perturbation series does not automatically satisfy the requirements of the renormalization group. In a previous review, we provided a general introduction to the various scale setting approaches suggested in the literature. As a step forward, in the present review, we present a discussion in depth of two well-established scale-setting methods based on RGI. One is the ‘principle of maximum conformality’ (PMC) in which the terms associated with the β-function are absorbed into the scale of the running coupling at each perturbative order; its predictions are scheme and scale independent at every finite order. The other approach is the ‘principle of minimum sensitivity’ (PMS), which is based on local RGI; the PMS approach determines the optimal renormalization scale by requiring the slope of the approximant of an observable to vanish. In this paper, we present a detailed comparison of the PMC and PMS procedures by analyzing two physical observables R e+e- and Γ(H\\to b\\bar{b}) up to four-loop order in pQCD. At the four-loop level, the PMC and PMS predictions for both observables agree within small errors with those of conventional scale setting assuming a physically-motivated scale, and each prediction shows small scale dependences. However, the convergence of the pQCD series at high orders, behaves quite differently: the PMC displays the best pQCD convergence since it eliminates divergent renormalon terms; in contrast, the convergence of the PMS prediction is questionable, often even worse than the conventional prediction based on an arbitrary guess for the renormalization scale. PMC predictions also have the property that any residual dependence on the choice of initial scale is highly suppressed even for low-order predictions. Thus the PMC, based on the standard RGI, has a rigorous foundation; it eliminates an unnecessary systematic error for high precision pQCD predictions and can be widely applied to virtually all high-energy hadronic processes, including multi-scale problems.

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Viscous Fluxes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.; Nielsen, Eric J.; Nishikawa, Hiroaki; White, Jeffery A.

2010-01-01

Discretization of the viscous terms in current finite-volume unstructured-grid schemes are compared using node-centered and cell-centered approaches in two dimensions. Accuracy and complexity are studied for four nominally second-order accurate schemes: a node-centered scheme and three cell-centered schemes - a node-averaging scheme and two schemes with nearest-neighbor and adaptive compact stencils for least-square face gradient reconstruction. The grids considered range from structured (regular) grids to irregular grids composed of arbitrary mixtures of triangles and quadrilaterals, including random perturbations of the grid points to bring out the worst possible behavior of the solution. Two classes of tests are considered. The first class of tests involves smooth manufactured solutions on both isotropic and highly anisotropic grids with discontinuous metrics, typical of those encountered in grid adaptation. The second class concerns solutions and grids varying strongly anisotropically over a curved body, typical of those encountered in high-Reynolds number turbulent flow simulations. Tests from the first class indicate the face least-square methods, the node-averaging method without clipping, and the node-centered method demonstrate second-order convergence of discretization errors with very similar accuracies per degree of freedom. The tests of the second class are more discriminating. The node-centered scheme is always second order with an accuracy and complexity in linearization comparable to the best of the cell-centered schemes. In comparison, the cell-centered node-averaging schemes may degenerate on mixed grids, have a higher complexity in linearization, and can fail to converge to the exact solution when clipping of the node-averaged values is used. The cell-centered schemes using least-square face gradient reconstruction have more compact stencils with a complexity similar to that of the node-centered scheme. For simulations on highly anisotropic curved grids, the least-square methods have to be amended either by introducing a local mapping based on a distance function commonly available in practical schemes or modifying the scheme stencil to reflect the direction of strong coupling. The major conclusion is that accuracies of the node centered and the best cell-centered schemes are comparable at equivalent number of degrees of freedom.

The Capra Research Program for Modelling Extreme Mass Ratio Inspirals

NASA Astrophysics Data System (ADS)

Thornburg, Jonathan

2011-02-01

Suppose a small compact object (black hole or neutron star) of mass m orbits a large black hole of mass M ≫ m. This system emits gravitational waves (GWs) that have a radiation-reaction effect on the particle's motion. EMRIs (extreme-mass-ratio inspirals) of this type will be important GW sources for LISA. To fully analyze these GWs, and to detect weaker sources also present in the LISA data stream, will require highly accurate EMRI GW templates. In this article I outline the ``Capra'' research program to try to model EMRIs and calculate their GWs ab initio, assuming only that m ≪ M and that the Einstein equations hold. Because m ≪ M the timescale for the particle's orbit to shrink is too long for a practical direct numerical integration of the Einstein equations, and because this orbit may be deep in the large black hole's strong-field region, a post-Newtonian approximation would be inaccurate. Instead, we treat the EMRI spacetime as a perturbation of the large black hole's ``background'' (Schwarzschild or Kerr) spacetime and use the methods of black-hole perturbation theory, expanding in the small parameter m/M. The particle's motion can be described either as the result of a radiation-reaction ``self-force'' acting in the background spacetime or as geodesic motion in a perturbed spacetime. Several different lines of reasoning lead to the (same) basic O(m/M) ``MiSaTaQuWa'' equations of motion for the particle. In particular, the MiSaTaQuWa equations can be derived by modelling the particle as either a point particle or a small Schwarzschild black hole. The latter is conceptually elegant, but the former is technically much simpler and (surprisingly for a nonlinear field theory such as general relativity) still yields correct results. Modelling the small body as a point particle, its own field is singular along the particle worldline, so it's difficult to formulate a meaningful ``perturbation'' theory or equations of motion there. Detweiler and Whiting found an elegant decomposition of the particle's metric perturbation into a singular part which is spherically symmetric at the particle and a regular part which is smooth (and non-symmetric) at the particle. If we assume that the singular part (being spherically symmetric at the particle) exerts no force on the particle, then the MiSaTaQuWa equations follow immediately. The MiSaTaQuWa equations involve gradients of a (curved-spacetime) Green function, integrated over the particle's entire past worldline. These expressions aren't amenable to direct use in practical computations. By carefully analysing the singularity structure of each term in a spherical-harmonic expansion of the particle's field, Barack and Ori found that the self-force can be written as an infinite sum of modes, each of which can be calculated by (numerically) solving a set of wave equations in 1{+}1 dimensions, summing the gradients of the resulting fields at the particle position, and then subtracting certain analytically-calculable ``regularization parameters''. This ``mode-sum'' regularization scheme has been the basis for much further research including explicit numerical calculations of the self-force in a variety of situations, initially for Schwarzschild spacetime and more recently extending to Kerr spacetime. Recently Barack and Golbourn developed an alternative ``m-mode'' regularization scheme. This regularizes the physical metric perturbation by subtracting from it a suitable ``puncture function'' approximation to the Detweiler-Whiting singular field. The residual is then decomposed into a Fourier sum over azimuthal (e^{imϕ}) modes, and the resulting equations solved numerically in 2{+}1 dimensions. Vega and Detweiler have developed a related scheme that uses the same puncture-function regularization but then solves the regularized perturbation equation numerically in 3{+}1 dimensions, avoiding a mode-sum decomposition entirely. A number of research projects are now using these puncture-function regularization schemes, particularly for calculations in Kerr spacetime. Most Capra research to date has used 1st order perturbation theory, with the particle moving on a fixed (usually geodesic) worldline. Much current research is devoted to generalizing this to allow the particle worldline to be perturbed by the self-force, and to obtain approximation schemes which remain valid over long (EMRI-inspiral) timescales. To obtain the very high accuracies needed to fully exploit LISA's observations of the strongest EMRIs, 2nd order perturbation theory will probably also be needed; both this and long-time approximations remain frontiers for future Capra research.

SCISEAL: A CFD code for analysis of fluid dynamic forces in seals

NASA Technical Reports Server (NTRS)

Athavale, Mahesh; Przekwas, Andrzej

1994-01-01

A viewgraph presentation is made of the objectives, capabilities, and test results of the computer code SCISEAL. Currently, the seal code has: a finite volume, pressure-based integration scheme; colocated variables with strong conservation approach; high-order spatial differencing, up to third-order; up to second-order temporal differencing; a comprehensive set of boundary conditions; a variety of turbulence models and surface roughness treatment; moving grid formulation for arbitrary rotor whirl; rotor dynamic coefficients calculated by the circular whirl and numerical shaker methods; and small perturbation capabilities to handle centered and eccentric seals.

Speeding up local correlation methods

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

Kats, Daniel

2014-12-28

We present two techniques that can substantially speed up the local correlation methods. The first one allows one to avoid the expensive transformation of the electron-repulsion integrals from atomic orbitals to virtual space. The second one introduces an algorithm for the residual equations in the local perturbative treatment that, in contrast to the standard scheme, does not require holding the amplitudes or residuals in memory. It is shown that even an interpreter-based implementation of the proposed algorithm in the context of local MP2 method is faster and requires less memory than the highly optimized variants of conventional algorithms.

The analytical {\\mathscr{O}}({a}_{s}^{4}) expression for the polarized Bjorken sum rule in the miniMOM scheme and the consequences for the generalized Crewther relation

NASA Astrophysics Data System (ADS)

Kataev, A. L.; Molokoedov, V. S.

2017-12-01

The analytical {\\mathscr{O}}({a}s4) perturbative QCD expression for the flavour non-singlet contribution to the Bjorken polarized sum rule in the rather applicable at present gauge-dependent miniMOM scheme is obtained. For the considered three values of the gauge parameter, namely ξ = 0 (Landau gauge), ξ = -1 (anti-Feynman gauge) and ξ = -3 (Stefanis-Mikhailov gauge), the scheme-dependent coefficients are considerably smaller than the gauge-independent {\\overline{{MS}}} results. It is found that the fundamental property of the factorization of the QCD renormalization group β-function in the generalized Crewther relation, which is valid in the gauge-invariant {\\overline{{MS}}} scheme up to {\\mathscr{O}}({a}s4)-level at least, is unexpectedly valid at the same level in the miniMOM-scheme for ξ = 0, and for ξ = -1 and ξ = -3 in part.

Apparently noninvariant terms of nonlinear sigma models in lattice perturbation theory

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

Harada, Koji; Hattori, Nozomu; Kubo, Hirofumi

2009-03-15

Apparently noninvariant terms (ANTs) that appear in loop diagrams for nonlinear sigma models are revisited in lattice perturbation theory. The calculations have been done mostly with dimensional regularization so far. In order to establish that the existence of ANTs is independent of the regularization scheme, and of the potential ambiguities in the definition of the Jacobian of the change of integration variables from group elements to 'pion' fields, we employ lattice regularization, in which everything (including the Jacobian) is well defined. We show explicitly that lattice perturbation theory produces ANTs in the four-point functions of the pion fields at one-loopmore » and the Jacobian does not play an important role in generating ANTs.« less

Test problems for inviscid transonic flow

NASA Technical Reports Server (NTRS)

Carlson, L. A.

1979-01-01

Solving of test problems with the TRANDES program is discussed. This method utilizes the full, inviscid, perturbation potential flow equation in a Cartesian grid system that is stretched to infinity. This equation is represented by a nonconservative system of finite difference equations that includes at supersonic points a rotated difference scheme and is solved by column relaxation. The solution usually starts from a zero perturbation potential on a very coarse grid (typically 13 by 7) followed by several grid halvings until a final solution is obtained on a fine grid (97 by 49).

Influence diagnostics for count data under AB-BA crossover trials.

PubMed

Hao, Chengcheng; von Rosen, Dietrich; von Rosen, Tatjana

2017-12-01

This paper aims to develop diagnostic measures to assess the influence of data perturbations on estimates in AB-BA crossover studies with a Poisson distributed response. Generalised mixed linear models with normally distributed random effects are utilised. We show that in this special case, the model can be decomposed into two independent sub-models which allow to derive closed-form expressions to evaluate the changes in the maximum likelihood estimates under several perturbation schemes. The performance of the new influence measures is illustrated by simulation studies and the analysis of a real dataset.

Dynamic Considerations for Control of Closed Life Support Systems

NASA Technical Reports Server (NTRS)

Babcock, P. S.; Auslander, D. M.; Spear, R. C.

1985-01-01

Reliability of closed life support systems depend on their ability to continue supplying the crew's needs during perturbations and equipment failures. The dynamic considerations interact with the basic static design through the sizing of storages, the specification of excess capacities in processors, and the choice of system initial state. A very simple system flow model was used to examine the possibilities for system failures even when there is sufficient storage to buffer the immediate effects of the perturbation. Two control schemes are shown which have different dynamic consequences in response to component failures.

Anomaly free cosmological perturbations with generalised holonomy correction in loop quantum cosmology

NASA Astrophysics Data System (ADS)

Han, Yu; Liu, Molin

2018-05-01

In the spatially flat case of loop quantum cosmology, the connection is usually replaced by the holonomy in effective theory. In this paper, instead of the standard scheme, we use a generalised, undetermined function to represent the holonomy and by using the approach of anomaly free constraint algebra we fix all the counter terms in the constraints and find the restriction in the form of , then we derive the gauge-invariant equations of motion of the scalar, tensor and vector perturbations and study the inflationary power spectra with generalised holonomy correction.

Adler function and Bjorken polarized sum rule: Perturbation expansions in powers of the S U (Nc) conformal anomaly and studies of the conformal symmetry limit

NASA Astrophysics Data System (ADS)

Cvetič, Gorazd; Kataev, A. L.

2016-07-01

We consider a new form of analytical perturbation theory expansion in the massless S U (Nc) theory, for the nonsinglet part of the e+e--annihilation to hadrons Adler function Dn s and of the Bjorken sum rule of the polarized lepton-hadron deep-inelastic scattering Cns B j p, and demonstrate its validity at the O (αs4)-level at least. It is a two-fold series in powers of the conformal anomaly and of S U (Nc) coupling αs. Explicit expressions are obtained for the {β }-expanded perturbation coefficients at O (αs4) level in MS ¯ scheme, for both considered physical quantities. Comparisons of the terms in the {β }-expanded coefficients are made with the corresponding terms obtained by using extra gluino degrees of freedom, or skeleton-motivated expansion, or Rδ-scheme motivated expansion in the Principle of Maximal Conformality. Relations between terms of the {β }-expansion for the Dn s- and Cns B j p-functions, which follow from the conformal symmetry limit and its violation, are presented. The relevance to the possible new analyses of the experimental data for the Adler function and Bjorken sum rule is discussed.

Stability of nonuniform rotor blades in hover using a mixed formulation

NASA Technical Reports Server (NTRS)

Stephens, W. B.; Hodges, D. H.; Avila, J. H.; Kung, R. M.

1980-01-01

A mixed formulation for calculating static equilibrium and stability eigenvalues of nonuniform rotor blades in hover is presented. The static equilibrium equations are nonlinear and are solved by an accurate and efficient collocation method. The linearized perturbation equations are solved by a one step, second order integration scheme. The numerical results correlate very well with published results from a nearly identical stability analysis based on a displacement formulation. Slight differences in the results are traced to terms in the equations that relate moments to derivatives of rotations. With the present ordering scheme, in which terms of the order of squares of rotations are neglected with respect to unity, it is not possible to achieve completely equivalent models based on mixed and displacement formulations. The one step methods reveal that a second order Taylor expansion is necessary to achieve good convergence for nonuniform rotating blades. Numerical results for a hypothetical nonuniform blade, including the nonlinear static equilibrium solution, were obtained with no more effort or computer time than that required for a uniform blade.

Scheme Variations of the QCD Coupling and Hadronic τ Decays

NASA Astrophysics Data System (ADS)

Boito, Diogo; Jamin, Matthias; Miravitllas, Ramon

2016-10-01

The quantum chromodynamics (QCD) coupling αs is not a physical observable of the theory, since it depends on conventions related to the renormalization procedure. We introduce a definition of the QCD coupling, denoted by α^s, whose running is explicitly renormalization scheme invariant. The scheme dependence of the new coupling α^s is parametrized by a single parameter C , related to transformations of the QCD scale Λ . It is demonstrated that appropriate choices of C can lead to substantial improvements in the perturbative prediction of physical observables. As phenomenological applications, we study e+e- scattering and decays of the τ lepton into hadrons, both being governed by the QCD Adler function.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

DOE PAGES

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; ...

2018-05-16

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; Ho, Kai-Ming; Antropov, Vladimir P.

2018-05-01

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo5 (M  =  Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA  +  U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropy (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

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

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Nonperturbative QCD Coupling and its $$\\beta$$-function from Light-Front Holography

DOE PAGES

Brodskey, Stanley J.; de Teramond, Guy; Deur, Alexandre P.

2010-05-28

The light-front holographic mapping of classical gravity in AdS space, modified by a positive-sign dilaton background, leads to a non-perturbative effective couplingmore » $$\\alpha_s^{AdS}(Q^2)$$. It agrees with hadron physics data extracted from different observables, such as the effective charge defined by the Bjorken sum rule, as well as with the predictions of models with built-in confinement and lattice simulations. It also displays a transition from perturbative to nonperturbative conformal regimes at a momentum scale $$ \\sim 1$$ GeV. The resulting $$\\beta$$-function appears to capture the essential characteristics of the full $$\\beta$$-function of QCD, thus giving further support to the application of the gauge/gravity duality to the confining dynamics of strongly coupled QCD. Commensurate scale relations relate observables to each other without scheme or scale ambiguity. In this paper we extrapolate these relations to the nonperturbative domain, thus extending the range of predictions based on $$\\alpha_s^{AdS}(Q^2)$$.« less

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

Gur, Sourav; Frantziskonis, George N.; Univ. of Arizona, Tucson, AZ

Here, we report results from a numerical study of multi-time-scale bistable dynamics for CO oxidation on a catalytic surface in a flowing, well-mixed gas stream. The problem is posed in terms of surface and gas-phase submodels that dynamically interact in the presence of stochastic perturbations, reflecting the impact of molecular-scale fluctuations on the surface and turbulence in the gas. Wavelet-based methods are used to encode and characterize the temporal dynamics produced by each submodel and detect the onset of sudden state shifts (bifurcations) caused by nonlinear kinetics. When impending state shifts are detected, a more accurate but computationally expensive integrationmore » scheme can be used. This appears to make it possible, at least in some cases, to decrease the net computational burden associated with simulating multi-time-scale, nonlinear reacting systems by limiting the amount of time in which the more expensive integration schemes are required. Critical to achieving this is being able to detect unstable temporal transitions such as the bistable shifts in the example problem considered here. Lastly, our results indicate that a unique wavelet-based algorithm based on the Lipschitz exponent is capable of making such detections, even under noisy conditions, and may find applications in critical transition detection problems beyond catalysis.« less

A new radiation infrastructure for the Modular Earth Submodel System (MESSy, based on version 2.51)

NASA Astrophysics Data System (ADS)

Dietmüller, Simone; Jöckel, Patrick; Tost, Holger; Kunze, Markus; Gellhorn, Catrin; Brinkop, Sabine; Frömming, Christine; Ponater, Michael; Steil, Benedikt; Lauer, Axel; Hendricks, Johannes

2016-06-01

The Modular Earth Submodel System (MESSy) provides an interface to couple submodels to a base model via a highly flexible data management facility (Jöckel et al., 2010). In the present paper we present the four new radiation related submodels RAD, AEROPT, CLOUDOPT, and ORBIT. The submodel RAD (including the shortwave radiation scheme RAD_FUBRAD) simulates the radiative transfer, the submodel AEROPT calculates the aerosol optical properties, the submodel CLOUDOPT calculates the cloud optical properties, and the submodel ORBIT is responsible for Earth orbit calculations. These submodels are coupled via the standard MESSy infrastructure and are largely based on the original radiation scheme of the general circulation model ECHAM5, however, expanded with additional features. These features comprise, among others, user-friendly and flexibly controllable (by namelists) online radiative forcing calculations by multiple diagnostic calls of the radiation routines. With this, it is now possible to calculate radiative forcing (instantaneous as well as stratosphere adjusted) of various greenhouse gases simultaneously in only one simulation, as well as the radiative forcing of cloud perturbations. Examples of online radiative forcing calculations in the ECHAM/MESSy Atmospheric Chemistry (EMAC) model are presented.

Optimization of Antenna Current Feeding for the Alfvén Eigenmodes Active Diagnostic System of JET

NASA Astrophysics Data System (ADS)

Albarracin Manrique, Marcos A.; Ruchko, L.; Pires, C. J. A.; Galvão, R. M. O.; Elfimov, A. G.

2018-04-01

The possibility of exploring proper phasing of the feeding currents in the existing antenna of the Alfvén Eigenmodes Active Diagnostic system of JET, to excite pure toroidal spectra of Toroidal Alfvén Eigenmodes, is numerically investigated. Special attention is given to the actual perturbed fields excited in the plasma, which are calculated self-consistently using the antenna version of the CASTOR code. It is found that due to the close spacing of the JET antenna modules and quasi degeneracy of modes with medium to high values of the toroidal mode number n, although a proper choice of the phasing of the feeding currents of the antenna modules indeed leads to an increase of the perturbed fields of the selected mode, modes with nearby values of n are also excited with large amplitudes, so that a scheme to proper select the detected modes remains necessary. A scheme using different antenna position distribution is proposed to achieve successful optimization.

A New Approach on the Long Term Dynamics of NEO's Under Yarkovsky Effect.

NASA Astrophysics Data System (ADS)

Peláez, Jesús; Urrutxua, Hodei; Bombardelli, Claudio; Perez-Grande, Isabel

2011-12-01

A classical approach to the many-body problem is that of using special perturbation methods. Nowadays and due to the availability of high-speed computers is an essential tool in Space Dynamics which exhibits a great advantage: it is applicable to any orbit involving any number of bodies and all sorts of astrodynamical problems, especially when these problems fall into regions in which general perturbation theories are absent. One such case is, for example, that Near Earth Objects (NEO's) dynamics. In this field, the Group of Tether Dynamics of UPM (GDT) has developed a new regularisation scheme - called DROMO - which is characterised by only 8 ODE. This new regularisation scheme allows a new approach to the dynamics of NEO's in the long term, specially appropriated to consider the influence of the anisotropic thermal emission (Yarkovsky and YORP effects) on the dynamics. A new project, called NEODROMO, has been started in GDT that aims to provide a reliable tool for the long term dynamics of NEO's.

On the symmetry foundation of double soft theorems

NASA Astrophysics Data System (ADS)

Li, Zhi-Zhong; Lin, Hung-Hwa; Zhang, Shun-Qing

2017-12-01

Double-soft theorems, like its single-soft counterparts, arises from the underlying symmetry principles that constrain the interactions of massless particles. While single soft theorems can be derived in a non-perturbative fashion by employing current algebras, recent attempts of extending such an approach to known double soft theorems has been met with difficulties. In this work, we have traced the difficulty to two inequivalent expansion schemes, depending on whether the soft limit is taken asymmetrically or symmetrically, which we denote as type A and B respectively. The soft-behaviour for type A scheme can simply be derived from single soft theorems, and are thus non-perturbatively protected. For type B, the information of the four-point vertex is required to determine the corresponding soft theorems, and thus are in general not protected. This argument can be readily extended to general multi-soft theorems. We also ask whether unitarity can be emergent from locality together with the two kinds of soft theorems, which has not been fully investigated before.

Depletion Calculations Based on Perturbations. Application to the Study of a Rep-Like Assembly at Beginning of Cycle with TRIPOLI-4®.

NASA Astrophysics Data System (ADS)

Dieudonne, Cyril; Dumonteil, Eric; Malvagi, Fausto; M'Backé Diop, Cheikh

2014-06-01

For several years, Monte Carlo burnup/depletion codes have appeared, which couple Monte Carlo codes to simulate the neutron transport to deterministic methods, which handle the medium depletion due to the neutron flux. Solving Boltzmann and Bateman equations in such a way allows to track fine 3-dimensional effects and to get rid of multi-group hypotheses done by deterministic solvers. The counterpart is the prohibitive calculation time due to the Monte Carlo solver called at each time step. In this paper we present a methodology to avoid the repetitive and time-expensive Monte Carlo simulations, and to replace them by perturbation calculations: indeed the different burnup steps may be seen as perturbations of the isotopic concentration of an initial Monte Carlo simulation. In a first time we will present this method, and provide details on the perturbative technique used, namely the correlated sampling. In a second time the implementation of this method in the TRIPOLI-4® code will be discussed, as well as the precise calculation scheme a meme to bring important speed-up of the depletion calculation. Finally, this technique will be used to calculate the depletion of a REP-like assembly, studied at beginning of its cycle. After having validated the method with a reference calculation we will show that it can speed-up by nearly an order of magnitude standard Monte-Carlo depletion codes.

Robust control of the DC-DC boost converter based on the uncertainty and disturbance estimator

NASA Astrophysics Data System (ADS)

Oucheriah, Said

2017-11-01

In this paper, a robust non-linear controller based on the uncertainty and disturbance estimator (UDE) scheme is successfully developed and implemented for the output voltage regulation of the DC-DC boost converter. System uncertainties, external disturbances and unknown non-linear dynamics are lumped as a signal that is accurately estimated using a low-pass filter and their effects are cancelled by the controller. This methodology forms the basis of the UDE-based controller. A simple procedure is also developed that systematically determines the parameters of the controller to meet certain specifications. Using simulation, the effectiveness of the proposed controller is compared against the sliding-mode control (SMC). Experimental tests also show that the proposed controller is robust to system uncertainties, large input and load perturbations.

Physical control oriented model of large scale refrigerators to synthesize advanced control schemes. Design, validation, and first control results

NASA Astrophysics Data System (ADS)

Bonne, François; Alamir, Mazen; Bonnay, Patrick

2014-01-01

In this paper, a physical method to obtain control-oriented dynamical models of large scale cryogenic refrigerators is proposed, in order to synthesize model-based advanced control schemes. These schemes aim to replace classical user experience designed approaches usually based on many independent PI controllers. This is particularly useful in the case where cryoplants are submitted to large pulsed thermal loads, expected to take place in the cryogenic cooling systems of future fusion reactors such as the International Thermonuclear Experimental Reactor (ITER) or the Japan Torus-60 Super Advanced Fusion Experiment (JT-60SA). Advanced control schemes lead to a better perturbation immunity and rejection, to offer a safer utilization of cryoplants. The paper gives details on how basic components used in the field of large scale helium refrigeration (especially those present on the 400W @1.8K helium test facility at CEA-Grenoble) are modeled and assembled to obtain the complete dynamic description of controllable subsystems of the refrigerator (controllable subsystems are namely the Joule-Thompson Cycle, the Brayton Cycle, the Liquid Nitrogen Precooling Unit and the Warm Compression Station). The complete 400W @1.8K (in the 400W @4.4K configuration) helium test facility model is then validated against experimental data and the optimal control of both the Joule-Thompson valve and the turbine valve is proposed, to stabilize the plant under highly variable thermals loads. This work is partially supported through the European Fusion Development Agreement (EFDA) Goal Oriented Training Program, task agreement WP10-GOT-GIRO.

Physical control oriented model of large scale refrigerators to synthesize advanced control schemes. Design, validation, and first control results

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

Bonne, François; Bonnay, Patrick; Alamir, Mazen

2014-01-29

In this paper, a physical method to obtain control-oriented dynamical models of large scale cryogenic refrigerators is proposed, in order to synthesize model-based advanced control schemes. These schemes aim to replace classical user experience designed approaches usually based on many independent PI controllers. This is particularly useful in the case where cryoplants are submitted to large pulsed thermal loads, expected to take place in the cryogenic cooling systems of future fusion reactors such as the International Thermonuclear Experimental Reactor (ITER) or the Japan Torus-60 Super Advanced Fusion Experiment (JT-60SA). Advanced control schemes lead to a better perturbation immunity and rejection,more » to offer a safer utilization of cryoplants. The paper gives details on how basic components used in the field of large scale helium refrigeration (especially those present on the 400W @1.8K helium test facility at CEA-Grenoble) are modeled and assembled to obtain the complete dynamic description of controllable subsystems of the refrigerator (controllable subsystems are namely the Joule-Thompson Cycle, the Brayton Cycle, the Liquid Nitrogen Precooling Unit and the Warm Compression Station). The complete 400W @1.8K (in the 400W @4.4K configuration) helium test facility model is then validated against experimental data and the optimal control of both the Joule-Thompson valve and the turbine valve is proposed, to stabilize the plant under highly variable thermals loads. This work is partially supported through the European Fusion Development Agreement (EFDA) Goal Oriented Training Program, task agreement WP10-GOT-GIRO.« less

Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases.

PubMed

Tenti, Lorenzo; Maynau, Daniel; Angeli, Celestino; Calzado, Carmen J

2016-07-21

A new strategy based on orthogonal valence-bond analysis of the wave function combined with intermediate Hamiltonian theory has been applied to the evaluation of the magnetic coupling constants in two AF systems. This approach provides both a quantitative estimate of the J value and a detailed analysis of the main physical mechanisms controlling the coupling, using a combined perturbative + variational scheme. The procedure requires a selection of the dominant excitations to be treated variationally. Two methods have been employed: a brute-force selection, using a logic similar to that of the CIPSI approach, or entanglement measures, which identify the most interacting orbitals in the system. Once a reduced set of excitations (about 300 determinants) is established, the interaction matrix is dressed at the second-order of perturbation by the remaining excitations of the CI space. The diagonalization of the dressed matrix provides J values in good agreement with experimental ones, at a very low-cost. This approach demonstrates the key role of d → d* excitations in the quantitative description of the magnetic coupling, as well as the importance of using an extended active space, including the bridging ligand orbitals, for the binuclear model of the intermediates of multicopper oxidases. The method is a promising tool for dealing with complex systems containing several active centers, as an alternative to both pure variational and DFT approaches.

Use of Earth's magnetic field for mitigating gyroscope errors regardless of magnetic perturbation.

PubMed

Afzal, Muhammad Haris; Renaudin, Valérie; Lachapelle, Gérard

2011-01-01

Most portable systems like smart-phones are equipped with low cost consumer grade sensors, making them useful as Pedestrian Navigation Systems (PNS). Measurements of these sensors are severely contaminated by errors caused due to instrumentation and environmental issues rendering the unaided navigation solution with these sensors of limited use. The overall navigation error budget associated with pedestrian navigation can be categorized into position/displacement errors and attitude/orientation errors. Most of the research is conducted for tackling and reducing the displacement errors, which either utilize Pedestrian Dead Reckoning (PDR) or special constraints like Zero velocity UPdaTes (ZUPT) and Zero Angular Rate Updates (ZARU). This article targets the orientation/attitude errors encountered in pedestrian navigation and develops a novel sensor fusion technique to utilize the Earth's magnetic field, even perturbed, for attitude and rate gyroscope error estimation in pedestrian navigation environments where it is assumed that Global Navigation Satellite System (GNSS) navigation is denied. As the Earth's magnetic field undergoes severe degradations in pedestrian navigation environments, a novel Quasi-Static magnetic Field (QSF) based attitude and angular rate error estimation technique is developed to effectively use magnetic measurements in highly perturbed environments. The QSF scheme is then used for generating the desired measurements for the proposed Extended Kalman Filter (EKF) based attitude estimator. Results indicate that the QSF measurements are capable of effectively estimating attitude and gyroscope errors, reducing the overall navigation error budget by over 80% in urban canyon environment.

Use of Earth’s Magnetic Field for Mitigating Gyroscope Errors Regardless of Magnetic Perturbation

PubMed Central

Afzal, Muhammad Haris; Renaudin, Valérie; Lachapelle, Gérard

2011-01-01

Most portable systems like smart-phones are equipped with low cost consumer grade sensors, making them useful as Pedestrian Navigation Systems (PNS). Measurements of these sensors are severely contaminated by errors caused due to instrumentation and environmental issues rendering the unaided navigation solution with these sensors of limited use. The overall navigation error budget associated with pedestrian navigation can be categorized into position/displacement errors and attitude/orientation errors. Most of the research is conducted for tackling and reducing the displacement errors, which either utilize Pedestrian Dead Reckoning (PDR) or special constraints like Zero velocity UPdaTes (ZUPT) and Zero Angular Rate Updates (ZARU). This article targets the orientation/attitude errors encountered in pedestrian navigation and develops a novel sensor fusion technique to utilize the Earth’s magnetic field, even perturbed, for attitude and rate gyroscope error estimation in pedestrian navigation environments where it is assumed that Global Navigation Satellite System (GNSS) navigation is denied. As the Earth’s magnetic field undergoes severe degradations in pedestrian navigation environments, a novel Quasi-Static magnetic Field (QSF) based attitude and angular rate error estimation technique is developed to effectively use magnetic measurements in highly perturbed environments. The QSF scheme is then used for generating the desired measurements for the proposed Extended Kalman Filter (EKF) based attitude estimator. Results indicate that the QSF measurements are capable of effectively estimating attitude and gyroscope errors, reducing the overall navigation error budget by over 80% in urban canyon environment. PMID:22247672

Symmetries, invariants and generating functions: higher-order statistics of biased tracers

NASA Astrophysics Data System (ADS)

Munshi, Dipak

2018-01-01

Gravitationally collapsed objects are known to be biased tracers of an underlying density contrast. Using symmetry arguments, generalised biasing schemes have recently been developed to relate the halo density contrast δh with the underlying density contrast δ, divergence of velocity θ and their higher-order derivatives. This is done by constructing invariants such as s, t, ψ,η. We show how the generating function formalism in Eulerian standard perturbation theory (SPT) can be used to show that many of the additional terms based on extended Galilean and Lifshitz symmetry actually do not make any contribution to the higher-order statistics of biased tracers. Other terms can also be drastically simplified allowing us to write the vertices associated with δh in terms of the vertices of δ and θ, the higher-order derivatives and the bias coefficients. We also compute the cumulant correlators (CCs) for two different tracer populations. These perturbative results are valid for tree-level contributions but at an arbitrary order. We also take into account the stochastic nature bias in our analysis. Extending previous results of a local polynomial model of bias, we express the one-point cumulants Script SN and their two-point counterparts, the CCs i.e. Script Cpq, of biased tracers in terms of that of their underlying density contrast counterparts. As a by-product of our calculation we also discuss the results using approximations based on Lagrangian perturbation theory (LPT).

On decentralized control of large-scale systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.

1978-01-01

A scheme is presented for decentralized control of large-scale linear systems which are composed of a number of interconnected subsystems. By ignoring the interconnections, local feedback controls are chosen to optimize each decoupled subsystem. Conditions are provided to establish compatibility of the individual local controllers and achieve stability of the overall system. Besides computational simplifications, the scheme is attractive because of its structural features and the fact that it produces a robust decentralized regulator for large dynamic systems, which can tolerate a wide range of nonlinearities and perturbations among the subsystems.

Duality in a supersymmetric gauge theory from a perturbative viewpoint

NASA Astrophysics Data System (ADS)

Ryttov, Thomas A.; Shrock, Robert

2018-03-01

We study duality in N =1 supersymmetric QCD in the non-Abelian Coulomb phase, order-by-order in scheme-independent series expansions. Using exact results, we show how the dimensions of various fundamental and composite chiral superfields, and the quantities a , c , a /c , and b at superconformal fixed points of the renormalization group emerge in scheme-independent series expansions in the electric and magnetic theories. We further demonstrate that truncations of these series expansions to modest order yield very accurate approximations to these quantities and suggest possible implications for nonsupersymmetric theories.

Nonperturbative renormalization of quark bilinear operators and B{sub K} using domain wall fermions

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

Aoki, Y.; Dawson, C.; Brookhaven National Laboratory, Upton, New York 11973

2008-09-01

We present a calculation of the renormalization coefficients of the quark bilinear operators and the K-K mixing parameter B{sub K}. The coefficients relating the bare lattice operators to those in the RI/MOM scheme are computed nonperturbatively and then matched perturbatively to the MS scheme. The coefficients are calculated on the RBC/UKQCD 2+1 flavor dynamical lattice configurations. Specifically we use a 16{sup 3}x32 lattice volume, the Iwasaki gauge action at {beta}=2.13 and domain wall fermions with L{sub s}=16.

A comparison between EDA-EnVar and ETKF-EnVar data assimilation techniques using radar observations at convective scales through a case study of Hurricane Ike (2008)

NASA Astrophysics Data System (ADS)

Shen, Feifei; Xu, Dongmei; Xue, Ming; Min, Jinzhong

2017-07-01

This study examines the impacts of assimilating radar radial velocity (Vr) data for the simulation of hurricane Ike (2008) with two different ensemble generation techniques in the framework of the hybrid ensemble-variational (EnVar) data assimilation system of Weather Research and Forecasting model. For the generation of ensemble perturbations we apply two techniques, the ensemble transform Kalman filter (ETKF) and the ensemble of data assimilation (EDA). For the ETKF-EnVar, the forecast ensemble perturbations are updated by the ETKF, while for the EDA-EnVar, the hybrid is employed to update each ensemble member with perturbed observations. The ensemble mean is analyzed by the hybrid method with flow-dependent ensemble covariance for both EnVar. The sensitivity of analyses and forecasts to the two applied ensemble generation techniques is investigated in our current study. It is found that the EnVar system is rather stable with different ensemble update techniques in terms of its skill on improving the analyses and forecasts. The EDA-EnVar-based ensemble perturbations are likely to include slightly less organized spatial structures than those in ETKF-EnVar, and the perturbations of the latter are constructed more dynamically. Detailed diagnostics reveal that both of the EnVar schemes not only produce positive temperature increments around the hurricane center but also systematically adjust the hurricane location with the hurricane-specific error covariance. On average, the analysis and forecast from the ETKF-EnVar have slightly smaller errors than that from the EDA-EnVar in terms of track, intensity, and precipitation forecast. Moreover, ETKF-EnVar yields better forecasts when verified against conventional observations.

Ernst potentials for vacuum Bianchi models

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

Breton, N.

The authors derive Ernst potentials for vacuum Bianchi I through VII models. A scheme to find inhomogeneous generalizations of such models by using generating techniques which incorporate electromagnetic fields or gravitational wave perturbations to a [open quotes]seed[close quotes] Bianchi solution is presented. 35 refs., 2 tabs.

A complete system for head tracking using motion-based particle filter and randomly perturbed active contour

NASA Astrophysics Data System (ADS)

Bouaynaya, N.; Schonfeld, Dan

2005-03-01

Many real world applications in computer and multimedia such as augmented reality and environmental imaging require an elastic accurate contour around a tracked object. In the first part of the paper we introduce a novel tracking algorithm that combines a motion estimation technique with the Bayesian Importance Sampling framework. We use Adaptive Block Matching (ABM) as the motion estimation technique. We construct the proposal density from the estimated motion vector. The resulting algorithm requires a small number of particles for efficient tracking. The tracking is adaptive to different categories of motion even with a poor a priori knowledge of the system dynamics. Particulary off-line learning is not needed. A parametric representation of the object is used for tracking purposes. In the second part of the paper, we refine the tracking output from a parametric sample to an elastic contour around the object. We use a 1D active contour model based on a dynamic programming scheme to refine the output of the tracker. To improve the convergence of the active contour, we perform the optimization over a set of randomly perturbed initial conditions. Our experiments are applied to head tracking. We report promising tracking results in complex environments.

Smeared quasidistributions in perturbation theory

NASA Astrophysics Data System (ADS)

Monahan, Christopher

2018-03-01

Quasi- and pseudodistributions provide a new approach to determining parton distribution functions from first principles' calculations of QCD. Here, I calculate the flavor nonsinglet unpolarized quasidistribution at one loop in perturbation theory, using the gradient flow to remove ultraviolet divergences. I demonstrate that, as expected, the gradient flow does not change the infrared structure of the quasidistribution at one loop and use the results to match the smeared matrix elements to those in the MS ¯ scheme. This matching calculation is required to relate numerical results obtained from nonperturbative lattice QCD computations to light-front parton distribution functions extracted from global analyses of experimental data.

Application of Wavelet-Based Methods for Accelerating Multi-Time-Scale Simulation of Bistable Heterogeneous Catalysis

DOE PAGES

Gur, Sourav; Frantziskonis, George N.; Univ. of Arizona, Tucson, AZ; ...

2017-02-16

Here, we report results from a numerical study of multi-time-scale bistable dynamics for CO oxidation on a catalytic surface in a flowing, well-mixed gas stream. The problem is posed in terms of surface and gas-phase submodels that dynamically interact in the presence of stochastic perturbations, reflecting the impact of molecular-scale fluctuations on the surface and turbulence in the gas. Wavelet-based methods are used to encode and characterize the temporal dynamics produced by each submodel and detect the onset of sudden state shifts (bifurcations) caused by nonlinear kinetics. When impending state shifts are detected, a more accurate but computationally expensive integrationmore » scheme can be used. This appears to make it possible, at least in some cases, to decrease the net computational burden associated with simulating multi-time-scale, nonlinear reacting systems by limiting the amount of time in which the more expensive integration schemes are required. Critical to achieving this is being able to detect unstable temporal transitions such as the bistable shifts in the example problem considered here. Lastly, our results indicate that a unique wavelet-based algorithm based on the Lipschitz exponent is capable of making such detections, even under noisy conditions, and may find applications in critical transition detection problems beyond catalysis.« less

An Enhanced Differential Evolution Algorithm Based on Multiple Mutation Strategies.

PubMed

Xiang, Wan-li; Meng, Xue-lei; An, Mei-qing; Li, Yin-zhen; Gao, Ming-xia

2015-01-01

Differential evolution algorithm is a simple yet efficient metaheuristic for global optimization over continuous spaces. However, there is a shortcoming of premature convergence in standard DE, especially in DE/best/1/bin. In order to take advantage of direction guidance information of the best individual of DE/best/1/bin and avoid getting into local trap, based on multiple mutation strategies, an enhanced differential evolution algorithm, named EDE, is proposed in this paper. In the EDE algorithm, an initialization technique, opposition-based learning initialization for improving the initial solution quality, and a new combined mutation strategy composed of DE/current/1/bin together with DE/pbest/bin/1 for the sake of accelerating standard DE and preventing DE from clustering around the global best individual, as well as a perturbation scheme for further avoiding premature convergence, are integrated. In addition, we also introduce two linear time-varying functions, which are used to decide which solution search equation is chosen at the phases of mutation and perturbation, respectively. Experimental results tested on twenty-five benchmark functions show that EDE is far better than the standard DE. In further comparisons, EDE is compared with other five state-of-the-art approaches and related results show that EDE is still superior to or at least equal to these methods on most of benchmark functions.

A small perturbation based optimization approach for the frequency placement of high aspect ratio wings

NASA Astrophysics Data System (ADS)

Goltsch, Mandy

Design denotes the transformation of an identified need to its physical embodiment in a traditionally iterative approach of trial and error. Conceptual design plays a prominent role but an almost infinite number of possible solutions at the outset of design necessitates fast evaluations. The corresponding practice of empirical equations and low fidelity analyses becomes obsolete in the light of novel concepts. Ever increasing system complexity and resource scarcity mandate new approaches to adequately capture system characteristics. Contemporary concerns in atmospheric science and homeland security created an operational need for unconventional configurations. Unmanned long endurance flight at high altitudes offers a unique showcase for the exploration of new design spaces and the incidental deficit of conceptual modeling and simulation capabilities. Structural and aerodynamic performance requirements necessitate light weight materials and high aspect ratio wings resulting in distinct structural and aeroelastic response characteristics that stand in close correlation with natural vibration modes. The present research effort evolves around the development of an efficient and accurate optimization algorithm for high aspect ratio wings subject to natural frequency constraints. Foundational corner stones are beam dimensional reduction and modal perturbation redesign. Local and global analyses inherent to the former suggest corresponding levels of local and global optimization. The present approach departs from this suggestion. It introduces local level surrogate models to capacitate a methodology that consists of multi level analyses feeding into a single level optimization. The innovative heart of the new algorithm originates in small perturbation theory. A sequence of small perturbation solutions allows the optimizer to make incremental movements within the design space. It enables a directed search that is free of costly gradients. System matrices are decomposed based on a Timoshenko stiffness effect separation. The formulation of respective linear changes falls back on surrogate models that approximate cross sectional properties. Corresponding functional responses are readily available. Their direct use by the small perturbation based optimizer ensures constitutive laws and eliminates a previously necessary optimization at the local level. The scope of the present work is derived from an existing configuration such as a conceptual baseline or a prototype that experiences aeroelastic instabilities. Due to the lack of respective design studies in the traditional design process it is not uncommon for an initial wing design to have such stability problems. The developed optimization scheme allows the effective redesign of high aspect ratio wings subject to natural frequency objectives. Its successful application is demonstrated by three separate optimization studies. The implementation results of all three studies confirm that the gradient liberation of the new methodology brings about great computational savings. A generic wing study is used to indicate the connection between the proposed methodology and the aeroelastic stability problems outlined in the motivation. It is also used to illustrate an important practical aspect of structural redesign, i.e., a minimum departure from the existing baseline configuration. The proposed optimization scheme is naturally conducive to this practical aspect by using a minimum change optimization criterion. However, only an elemental formulation truly enables a minimum change solution. It accounts for the spanwise significance of a structural modification to the mode of interest. This idea of localized reinforcement greatly benefits the practical realization of structural redesign efforts. The implementation results also highlight the fundamental limitation of the proposed methodology. The exclusive consideration of mass and stiffness effects on modal response characteristics disregards other disciplinary problems such as allowable stresses or buckling loads. Both are of central importance to the structural integrity of an aircraft but are currently not accounted for in the proposed optimization scheme. The concluding discussion thus outlines the need for respective constraints and/or additional analyses to capture all requirements necessary for a comprehensive structural redesign study.

Identifying sensitive ranges in global warming precipitation change dependence on convective parameters

DOE PAGES

Bernstein, Diana N.; Neelin, J. David

2016-04-28

A branch-run perturbed-physics ensemble in the Community Earth System Model estimates impacts of parameters in the deep convection scheme on current hydroclimate and on end-of-century precipitation change projections under global warming. Regional precipitation change patterns prove highly sensitive to these parameters, especially in the tropics with local changes exceeding 3mm/d, comparable to the magnitude of the predicted change and to differences in global warming predictions among the Coupled Model Intercomparison Project phase 5 models. This sensitivity is distributed nonlinearly across the feasible parameter range, notably in the low-entrainment range of the parameter for turbulent entrainment in the deep convection scheme.more » This suggests that a useful target for parameter sensitivity studies is to identify such disproportionately sensitive dangerous ranges. Here, the low-entrainment range is used to illustrate the reduction in global warming regional precipitation sensitivity that could occur if this dangerous range can be excluded based on evidence from current climate.« less

Identifying sensitive ranges in global warming precipitation change dependence on convective parameters

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

Bernstein, Diana N.; Neelin, J. David

A branch-run perturbed-physics ensemble in the Community Earth System Model estimates impacts of parameters in the deep convection scheme on current hydroclimate and on end-of-century precipitation change projections under global warming. Regional precipitation change patterns prove highly sensitive to these parameters, especially in the tropics with local changes exceeding 3mm/d, comparable to the magnitude of the predicted change and to differences in global warming predictions among the Coupled Model Intercomparison Project phase 5 models. This sensitivity is distributed nonlinearly across the feasible parameter range, notably in the low-entrainment range of the parameter for turbulent entrainment in the deep convection scheme.more » This suggests that a useful target for parameter sensitivity studies is to identify such disproportionately sensitive dangerous ranges. Here, the low-entrainment range is used to illustrate the reduction in global warming regional precipitation sensitivity that could occur if this dangerous range can be excluded based on evidence from current climate.« less

Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation

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

Nakajima, Yuya; Seino, Junji; Nakai, Hiromi, E-mail: nakai@waseda.jp

In this study, the analytical energy gradient for the spin-free infinite-order Douglas-Kroll-Hess (IODKH) method at the levels of the Hartree-Fock (HF), density functional theory (DFT), and second-order Møller-Plesset perturbation theory (MP2) is developed. Furthermore, adopting the local unitary transformation (LUT) scheme for the IODKH method improves the efficiency in computation of the analytical energy gradient. Numerical assessments of the present gradient method are performed at the HF, DFT, and MP2 levels for the IODKH with and without the LUT scheme. The accuracies are examined for diatomic molecules such as hydrogen halides, halogen dimers, coinage metal (Cu, Ag, and Au) halides,more » and coinage metal dimers, and 20 metal complexes, including the fourth–sixth row transition metals. In addition, the efficiencies are investigated for one-, two-, and three-dimensional silver clusters. The numerical results confirm the accuracy and efficiency of the present method.« less

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

Taddese, Biniyam Tesfaye; Antonsen, Thomas M.; Ott, Edward

Classical analogs of the quantum mechanical concepts of the Loschmidt Echo and quantum fidelity are developed with the goal of detecting small perturbations in a closed wave chaotic region. Sensing techniques that employ a one-recording-channel time-reversal-mirror, which in turn relies on time reversal invariance and spatial reciprocity of the classical wave equation, are introduced. In analogy with quantum fidelity, we employ scattering fidelity techniques which work by comparing response signals of the scattering region, by means of cross correlation and mutual information of signals. The performance of the sensing techniques is compared for various perturbations induced experimentally in an acousticmore » resonant cavity. The acoustic signals are parametrically processed to mitigate the effect of dissipation and to vary the spatial diversity of the sensing schemes. In addition to static boundary condition perturbations at specified locations, perturbations to the medium of wave propagation are shown to be detectable, opening up various real world sensing applications in which a false negative cannot be tolerated.« less

Comparing multilayer brain networks between groups: Introducing graph metrics and recommendations.

PubMed

Mandke, Kanad; Meier, Jil; Brookes, Matthew J; O'Dea, Reuben D; Van Mieghem, Piet; Stam, Cornelis J; Hillebrand, Arjan; Tewarie, Prejaas

2018-02-01

There is an increasing awareness of the advantages of multi-modal neuroimaging. Networks obtained from different modalities are usually treated in isolation, which is however contradictory to accumulating evidence that these networks show non-trivial interdependencies. Even networks obtained from a single modality, such as frequency-band specific functional networks measured from magnetoencephalography (MEG) are often treated independently. Here, we discuss how a multilayer network framework allows for integration of multiple networks into a single network description and how graph metrics can be applied to quantify multilayer network organisation for group comparison. We analyse how well-known biases for single layer networks, such as effects of group differences in link density and/or average connectivity, influence multilayer networks, and we compare four schemes that aim to correct for such biases: the minimum spanning tree (MST), effective graph resistance cost minimisation, efficiency cost optimisation (ECO) and a normalisation scheme based on singular value decomposition (SVD). These schemes can be applied to the layers independently or to the multilayer network as a whole. For correction applied to whole multilayer networks, only the SVD showed sufficient bias correction. For correction applied to individual layers, three schemes (ECO, MST, SVD) could correct for biases. By using generative models as well as empirical MEG and functional magnetic resonance imaging (fMRI) data, we further demonstrated that all schemes were sensitive to identify network topology when the original networks were perturbed. In conclusion, uncorrected multilayer network analysis leads to biases. These biases may differ between centres and studies and could consequently lead to unreproducible results in a similar manner as for single layer networks. We therefore recommend using correction schemes prior to multilayer network analysis for group comparisons. Copyright © 2017 Elsevier Inc. All rights reserved.

Numerical Simulations of Reacting Flows Using Asynchrony-Tolerant Schemes for Exascale Computing

NASA Astrophysics Data System (ADS)

Cleary, Emmet; Konduri, Aditya; Chen, Jacqueline

2017-11-01

Communication and data synchronization between processing elements (PEs) are likely to pose a major challenge in scalability of solvers at the exascale. Recently developed asynchrony-tolerant (AT) finite difference schemes address this issue by relaxing communication and synchronization between PEs at a mathematical level while preserving accuracy, resulting in improved scalability. The performance of these schemes has been validated for simple linear and nonlinear homogeneous PDEs. However, many problems of practical interest are governed by highly nonlinear PDEs with source terms, whose solution may be sensitive to perturbations caused by communication asynchrony. The current work applies the AT schemes to combustion problems with chemical source terms, yielding a stiff system of PDEs with nonlinear source terms highly sensitive to temperature. Examples shown will use single-step and multi-step CH4 mechanisms for 1D premixed and nonpremixed flames. Error analysis will be discussed both in physical and spectral space. Results show that additional errors introduced by the AT schemes are negligible and the schemes preserve their accuracy. We acknowledge funding from the DOE Computational Science Graduate Fellowship administered by the Krell Institute.

Nonlinear gravitational self-force: Field outside a small body

NASA Astrophysics Data System (ADS)

Pound, Adam

2012-10-01

A small extended body moving through an external spacetime gαβ creates a metric perturbation hαβ, which forces the body away from geodesic motion in gαβ. The foundations of this effect, called the gravitational self-force, are now well established, but concrete results have mostly been limited to linear order. Accurately modeling the dynamics of compact binaries requires proceeding to nonlinear orders. To that end, I show how to obtain the metric perturbation outside the body at all orders in a class of generalized wave gauges. In a small buffer region surrounding the body, the form of the perturbation can be found analytically as an expansion for small distances r from a representative worldline. Given only a specification of the body’s multipole moments, the field obtained in the buffer region suffices to find the metric everywhere outside the body via a numerical puncture scheme. Following this procedure at first and second order, I calculate the field in the buffer region around an arbitrarily structured compact body at sufficiently high order in r to numerically implement a second-order puncture scheme, including effects of the body’s spin. I also define nth-order (local) generalizations of the Detweiler-Whiting singular and regular fields and show that in a certain sense, the body can be viewed as a skeleton of multipole moments.

Dynamic field theory and equations of motion in cosmology

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

Kopeikin, Sergei M., E-mail: kopeikins@missouri.edu; Petrov, Alexander N., E-mail: alex.petrov55@gmail.com

2014-11-15

We discuss a field-theoretical approach based on general-relativistic variational principle to derive the covariant field equations and hydrodynamic equations of motion of baryonic matter governed by cosmological perturbations of dark matter and dark energy. The action depends on the gravitational and matter Lagrangian. The gravitational Lagrangian depends on the metric tensor and its first and second derivatives. The matter Lagrangian includes dark matter, dark energy and the ordinary baryonic matter which plays the role of a bare perturbation. The total Lagrangian is expanded in an asymptotic Taylor series around the background cosmological manifold defined as a solution of Einstein’s equationsmore » in the form of the Friedmann–Lemaître–Robertson–Walker (FLRW) metric tensor. The small parameter of the decomposition is the magnitude of the metric tensor perturbation. Each term of the series expansion is gauge-invariant and all of them together form a basis for the successive post-Friedmannian approximations around the background metric. The approximation scheme is covariant and the asymptotic nature of the Lagrangian decomposition does not require the post-Friedmannian perturbations to be small though computationally it works the most effectively when the perturbed metric is close enough to the background FLRW metric. The temporal evolution of the background metric is governed by dark matter and dark energy and we associate the large scale inhomogeneities in these two components as those generated by the primordial cosmological perturbations with an effective matter density contrast δρ/ρ≤1. The small scale inhomogeneities are generated by the condensations of baryonic matter considered as the bare perturbations of the background manifold that admits δρ/ρ≫1. Mathematically, the large scale perturbations are given by the homogeneous solution of the linearized field equations while the small scale perturbations are described by a particular solution of these equations with the bare stress–energy tensor of the baryonic matter. We explicitly work out the covariant field equations of the successive post-Friedmannian approximations of Einstein’s equations in cosmology and derive equations of motion of large and small scale inhomogeneities of dark matter and dark energy. We apply these equations to derive the post-Friedmannian equations of motion of baryonic matter comprising stars, galaxies and their clusters.« less

Understanding the large-distance behavior of transverse-momentum-dependent parton densities and the Collins-Soper evolution kernel

DOE PAGES

Collins, John; Rogers, Ted

2015-04-01

There is considerable controversy about the size and importance of non-perturbative contributions to the evolution of transverse momentum dependent (TMD) parton distribution functions. Standard fits to relatively high-energy Drell-Yan data give evolution that when taken to lower Q is too rapid to be consistent with recent data in semi-inclusive deeply inelastic scattering. Some authors provide very different forms for TMD evolution, even arguing that non-perturbative contributions at large transverse distance bT are not needed or are irrelevant. Here, we systematically analyze the issues, both perturbative and non-perturbative. We make a motivated proposal for the parameterization of the non-perturbative part ofmore » the TMD evolution kernel that could give consistency: with the variety of apparently conflicting data, with theoretical perturbative calculations where they are applicable, and with general theoretical non-perturbative constraints on correlation functions at large distances. We propose and use a scheme- and scale-independent function A(bT) that gives a tool to compare and diagnose different proposals for TMD evolution. We also advocate for phenomenological studies of A(bT) as a probe of TMD evolution. The results are important generally for applications of TMD factorization. In particular, they are important to making predictions for proposed polarized Drell- Yan experiments to measure the Sivers function.« less

Understanding the large-distance behavior of transverse-momentum-dependent parton densities and the Collins-Soper evolution kernel

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

Collins, John; Rogers, Ted

There is considerable controversy about the size and importance of non-perturbative contributions to the evolution of transverse momentum dependent (TMD) parton distribution functions. Standard fits to relatively high-energy Drell-Yan data give evolution that when taken to lower Q is too rapid to be consistent with recent data in semi-inclusive deeply inelastic scattering. Some authors provide very different forms for TMD evolution, even arguing that non-perturbative contributions at large transverse distance bT are not needed or are irrelevant. Here, we systematically analyze the issues, both perturbative and non-perturbative. We make a motivated proposal for the parameterization of the non-perturbative part ofmore » the TMD evolution kernel that could give consistency: with the variety of apparently conflicting data, with theoretical perturbative calculations where they are applicable, and with general theoretical non-perturbative constraints on correlation functions at large distances. We propose and use a scheme- and scale-independent function A(bT) that gives a tool to compare and diagnose different proposals for TMD evolution. We also advocate for phenomenological studies of A(bT) as a probe of TMD evolution. The results are important generally for applications of TMD factorization. In particular, they are important to making predictions for proposed polarized Drell- Yan experiments to measure the Sivers function.« less

Control of AUVs using differential flatness theory and the derivative-free nonlinear Kalman Filter

NASA Astrophysics Data System (ADS)

Rigatos, Gerasimos; Raffo, Guilerme

2015-12-01

The paper proposes nonlinear control and filtering for Autonomous Underwater Vessels (AUVs) based on differential flatness theory and on the use of the Derivative-free nonlinear Kalman Filter. First, it is shown that the 6-DOF dynamic model of the AUV is a differentially flat one. This enables its transformation into the linear canonical (Brunovsky) form and facilitates the design of a state feedback controller. A problem that has to be dealt with is the uncertainty about the parameters of the AUV's dynamic model, as well the external perturbations which affect its motion. To cope with this, it is proposed to use a disturbance observer which is based on the Derivative-free nonlinear Kalman Filter. The considered filtering method consists of the standard Kalman Filter recursion applied on the linearized model of the vessel and of an inverse transformation based on differential flatness theory, which enables to obtain estimates of the state variables of the initial nonlinear model of the vessel. The Kalman Filter-based disturbance observer performs simultaneous estimation of the non-measurable state variables of the AUV and of the perturbation terms that affect its dynamics. By estimating such disturbances, their compensation is also succeeded through suitable modification of the feedback control input. The efficiency of the proposed AUV control and estimation scheme is confirmed through simulation experiments.

Immunity-based detection, identification, and evaluation of aircraft sub-system failures

NASA Astrophysics Data System (ADS)

Moncayo, Hever Y.

This thesis describes the design, development, and flight-simulation testing of an integrated Artificial Immune System (AIS) for detection, identification, and evaluation of a wide variety of sensor, actuator, propulsion, and structural failures/damages including the prediction of the achievable states and other limitations on performance and handling qualities. The AIS scheme achieves high detection rate and low number of false alarms for all the failure categories considered. Data collected using a motion-based flight simulator are used to define the self for an extended sub-region of the flight envelope. The NASA IFCS F-15 research aircraft model is used and represents a supersonic fighter which include model following adaptive control laws based on non-linear dynamic inversion and artificial neural network augmentation. The flight simulation tests are designed to analyze and demonstrate the performance of the immunity-based aircraft failure detection, identification and evaluation (FDIE) scheme. A general robustness analysis is also presented by determining the achievable limits for a desired performance in the presence of atmospheric perturbations. For the purpose of this work, the integrated AIS scheme is implemented based on three main components. The first component performs the detection when one of the considered failures is present in the system. The second component consists in the identification of the failure category and the classification according to the failed element. During the third phase a general evaluation of the failure is performed with the estimation of the magnitude/severity of the failure and the prediction of its effect on reducing the flight envelope of the aircraft system. Solutions and alternatives to specific design issues of the AIS scheme, such as data clustering and empty space optimization, data fusion and duplication removal, definition of features, dimensionality reduction, and selection of cluster/detector shape are also analyzed in this thesis. They showed to have an important effect on detection performance and are a critical aspect when designing the configuration of the AIS. The results presented in this thesis show that the AIS paradigm addresses directly the complexity and multi-dimensionality associated with a damaged aircraft dynamic response and provides the tools necessary for a comprehensive/integrated solution to the FDIE problem. Excellent detection, identification, and evaluation performance has been recorded for all types of failures considered. The implementation of the proposed AIS-based scheme can potentially have a significant impact on the safety of aircraft operation. The output information obtained from the scheme will be useful to increase pilot situational awareness and determine automated compensation.

Non-resonant zeugmatography with muons (μ SI) and radioactive isotopes

NASA Astrophysics Data System (ADS)

Kaplan, N.; Kreitzman, S. R.; Schneider, J. W.; Brewer, J. H.; Hitti, B.

1994-12-01

The procedure of zeugmatographic imaging — hitherto implemented only with nuclear magnetic resonance to form the well known MRI technique — is examined with the aim of utilizing it also in combination with non resonant phenomena. It is shown that in principle, one may indeed use zeugmatographic schemes with Perturbed Angular Correlations (PAC) or with muon spin rotations ( μSR) to obtain image information from material bodies. The preliminary experimentation with zeugmatographic μ Spin Imaging scheme, ( μSI), will be described. Some μSI imaging results will be presented and the inherent limitations of the method will be discussed.

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

Xing, Yulong; Shu, Chi-wang; Noelle, Sebastian

This note aims at demonstrating the advantage of moving-water well-balanced schemes over still-water well-balanced schemes for the shallow water equations. We concentrate on numerical examples with solutions near a moving-water equilibrium. For such examples, still-water well-balanced methods are not capable of capturing the small perturbations of the moving-water equilibrium and may generate significant spurious oscillations, unless an extremely refined mesh is used. On the other hand, moving-water well-balanced methods perform well in these tests. The numerical examples in this note clearly demonstrate the importance of utilizing moving-water well-balanced methods for solutions near a moving-water equilibrium.

Renormalization constants for 2-twist operators in twisted mass QCD

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

Alexandrou, C.; Computation-based Science and Technology Research Center, The Cyprus Institute, 15 Kypranoros Str., 1645 Nicosia; Constantinou, M.

2011-01-01

Perturbative and nonperturbative results on the renormalization constants of the fermion field and the twist-2 fermion bilinears are presented with emphasis on the nonperturbative evaluation of the one-derivative twist-2 vector and axial-vector operators. Nonperturbative results are obtained using the twisted mass Wilson fermion formulation employing two degenerate dynamical quarks and the tree-level Symanzik improved gluon action. The simulations have been performed for pion masses in the range of about 450-260 MeV and at three values of the lattice spacing a corresponding to {beta}=3.9, 4.05, 4.20. Subtraction of O(a{sup 2}) terms is carried out by performing the perturbative evaluation of thesemore » operators at 1-loop and up to O(a{sup 2}). The renormalization conditions are defined in the RI{sup '}-MOM scheme, for both perturbative and nonperturbative results. The renormalization factors, obtained for different values of the renormalization scale, are evolved perturbatively to a reference scale set by the inverse of the lattice spacing. In addition, they are translated to MS at 2 GeV using 3-loop perturbative results for the conversion factors.« less

ProteinAC: a frequency domain technique for analyzing protein dynamics

NASA Astrophysics Data System (ADS)

Bozkurt Varolgunes, Yasemin; Demir, Alper

2018-03-01

It is widely believed that the interactions of proteins with ligands and other proteins are determined by their dynamic characteristics as opposed to only static, time-invariant processes. We propose a novel computational technique, called ProteinAC (PAC), that can be used to analyze small scale functional protein motions as well as interactions with ligands directly in the frequency domain. PAC was inspired by a frequency domain analysis technique that is widely used in electronic circuit design, and can be applied to both coarse-grained and all-atom models. It can be considered as a generalization of previously proposed static perturbation-response methods, where the frequency of the perturbation becomes the key. We discuss the precise relationship of PAC to static perturbation-response schemes. We show that the frequency of the perturbation may be an important factor in protein dynamics. Perturbations at different frequencies may result in completely different response behavior while magnitude and direction are kept constant. Furthermore, we introduce several novel frequency dependent metrics that can be computed via PAC in order to characterize response behavior. We present results for the ferric binding protein that demonstrate the potential utility of the proposed techniques.

Blind ICA detection based on second-order cone programming for MC-CDMA systems

NASA Astrophysics Data System (ADS)

Jen, Chih-Wei; Jou, Shyh-Jye

2014-12-01

The multicarrier code division multiple access (MC-CDMA) technique has received considerable interest for its potential application to future wireless communication systems due to its high data rate. A common problem regarding the blind multiuser detectors used in MC-CDMA systems is that they are extremely sensitive to the complex channel environment. Besides, the perturbation of colored noise may negatively affect the performance of the system. In this paper, a new coherent detection method will be proposed, which utilizes the modified fast independent component analysis (FastICA) algorithm, based on approximate negentropy maximization that is subject to the second-order cone programming (SOCP) constraint. The aim of the proposed coherent detection is to provide robustness against small-to-medium channel estimation mismatch (CEM) that may arise from channel frequency response estimation error in the MC-CDMA system, which is modulated by downlink binary phase-shift keying (BPSK) under colored noise. Noncoherent demodulation schemes are preferable to coherent demodulation schemes, as the latter are difficult to implement over time-varying fading channels. Differential phase-shift keying (DPSK) is therefore the natural choice for an alternative modulation scheme. Furthermore, the new blind differential SOCP-based ICA (SOCP-ICA) detection without channel estimation and compensation will be proposed to combat Doppler spread caused by time-varying fading channels in the DPSK-modulated MC-CDMA system under colored noise. In this paper, numerical simulations are used to illustrate the robustness of the proposed blind coherent SOCP-ICA detector against small-to-medium CEM and to emphasize the advantage of the blind differential SOCP-ICA detector in overcoming Doppler spread.

Anharmonic, dimensionality and size effects in phonon transport

NASA Astrophysics Data System (ADS)

Thomas, Iorwerth O.; Srivastava, G. P.

2017-12-01

We have developed and employed a numerically efficient semi- ab initio theory, based on density-functional and relaxation-time schemes, to examine anharmonic, dimensionality and size effects in phonon transport in three- and two-dimensional solids of different crystal symmetries. Our method uses third- and fourth-order terms in crystal Hamiltonian expressed in terms of a temperature-dependent Grüneisen’s constant. All input to numerical calculations are generated from phonon calculations based on the density-functional perturbation theory. It is found that four-phonon processes make important and measurable contribution to lattice thermal resistivity above the Debye temperature. From our numerical results for bulk Si, bulk Ge, bulk MoS2 and monolayer MoS2 we find that the sample length dependence of phonon conductivity is significantly stronger in low-dimensional solids.

Solutions of the epidemic of EIAV infection by HPM

NASA Astrophysics Data System (ADS)

Balamuralitharan, S.; Geethamalini, S.

2018-04-01

In this article, Homotopy Perturbation Method (HPM) is to process of estimate to the arrangements to a model for Equine Infectious Anemia Virus (EIAV) disease. This technique allows a direct scheme for solving the problem. MATLAB is operated to complete the computations. Graphical results are displayed and discussed quantitatively and simplicity of the method.

Z -Boson Production in Association with a Jet at Next-To-Next-To-Leading Order in Perturbative QCD

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

Boughezal, Radja; Campbell, John; Ellis, R. Keith

2016-04-01

We present the first complete calculation of Z-boson production in association with a jet in hadronic collisions through next-to-next-to-leading order in perturbative QCD. Our computation uses the recently proposed N-jettiness subtraction scheme to regulate the infrared divergences that appear in the real-emission contributions. We present phenomenological results for 13 TeV proton-proton collisions with fully realistic fiducial cuts on the final-state particles. The remaining theoretical uncertainties after the inclusion of our calculations are at the percent level, making the Z + jet channel ready for precision studies at the LHC run II.

Homotopy perturbation method: a versatile tool to evaluate linear and nonlinear fuzzy Volterra integral equations of the second kind.

PubMed

Narayanamoorthy, S; Sathiyapriya, S P

2016-01-01

In this article, we focus on linear and nonlinear fuzzy Volterra integral equations of the second kind and we propose a numerical scheme using homotopy perturbation method (HPM) to obtain fuzzy approximate solutions to them. To facilitate the benefits of this proposal, an algorithmic form of the HPM is also designed to handle the same. In order to illustrate the potentiality of the approach, two test problems are offered and the obtained numerical results are compared with the existing exact solutions and are depicted in terms of plots to reveal its precision and reliability.

Development of solution techniques for nonlinear structural analysis

NASA Technical Reports Server (NTRS)

Vos, R. G.; Andrews, J. S.

1974-01-01

Nonlinear structural solution methods in the current research literature are classified according to order of the solution scheme, and it is shown that the analytical tools for these methods are uniformly derivable by perturbation techniques. A new perturbation formulation is developed for treating an arbitrary nonlinear material, in terms of a finite-difference generated stress-strain expansion. Nonlinear geometric effects are included in an explicit manner by appropriate definition of an applicable strain tensor. A new finite-element pilot computer program PANES (Program for Analysis of Nonlinear Equilibrium and Stability) is presented for treatment of problems involving material and geometric nonlinearities, as well as certain forms on nonconservative loading.

Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory.

PubMed

Kussmann, Jörg; Ochsenfeld, Christian

2007-08-07

Details of a new density matrix-based formulation for calculating nuclear magnetic resonance chemical shifts at both Hartree-Fock and density functional theory levels are presented. For systems with a nonvanishing highest occupied molecular orbital-lowest unoccupied molecular orbital gap, the method allows us to reduce the asymptotic scaling order of the computational effort from cubic to linear, so that molecular systems with 1000 and more atoms can be tackled with today's computers. The key feature is a reformulation of the coupled-perturbed self-consistent field (CPSCF) theory in terms of the one-particle density matrix (D-CPSCF), which avoids entirely the use of canonical MOs. By means of a direct solution for the required perturbed density matrices and the adaptation of linear-scaling integral contraction schemes, the overall scaling of the computational effort is reduced to linear. A particular focus of our formulation is to ensure numerical stability when sparse-algebra routines are used to obtain an overall linear-scaling behavior.

A hybrid variational ensemble data assimilation for the HIgh Resolution Limited Area Model (HIRLAM)

NASA Astrophysics Data System (ADS)

Gustafsson, N.; Bojarova, J.; Vignes, O.

2014-02-01

A hybrid variational ensemble data assimilation has been developed on top of the HIRLAM variational data assimilation. It provides the possibility of applying a flow-dependent background error covariance model during the data assimilation at the same time as full rank characteristics of the variational data assimilation are preserved. The hybrid formulation is based on an augmentation of the assimilation control variable with localised weights to be assigned to a set of ensemble member perturbations (deviations from the ensemble mean). The flow-dependency of the hybrid assimilation is demonstrated in single simulated observation impact studies and the improved performance of the hybrid assimilation in comparison with pure 3-dimensional variational as well as pure ensemble assimilation is also proven in real observation assimilation experiments. The performance of the hybrid assimilation is comparable to the performance of the 4-dimensional variational data assimilation. The sensitivity to various parameters of the hybrid assimilation scheme and the sensitivity to the applied ensemble generation techniques are also examined. In particular, the inclusion of ensemble perturbations with a lagged validity time has been examined with encouraging results.

Finite-time containment control of perturbed multi-agent systems based on sliding-mode control

NASA Astrophysics Data System (ADS)

Yu, Di; Ji, Xiang Yang

2018-01-01

Aimed at faster convergence rate, this paper investigates finite-time containment control problem for second-order multi-agent systems with norm-bounded non-linear perturbation. When topology between the followers are strongly connected, the nonsingular fast terminal sliding-mode error is defined, corresponding discontinuous control protocol is designed and the appropriate value range of control parameter is obtained by applying finite-time stability analysis, so that the followers converge to and move along the desired trajectories within the convex hull formed by the leaders in finite time. Furthermore, on the basis of the sliding-mode error defined, the corresponding distributed continuous control protocols are investigated with fast exponential reaching law and double exponential reaching law, so as to make the followers move to the small neighbourhoods of their desired locations and keep within the dynamic convex hull formed by the leaders in finite time to achieve practical finite-time containment control. Meanwhile, we develop the faster control scheme according to comparison of the convergence rate of these two different reaching laws. Simulation examples are given to verify the correctness of theoretical results.

A displacement-based finite element formulation for incompressible and nearly-incompressible cardiac mechanics

PubMed Central

Hadjicharalambous, Myrianthi; Lee, Jack; Smith, Nicolas P.; Nordsletten, David A.

2014-01-01

The Lagrange Multiplier (LM) and penalty methods are commonly used to enforce incompressibility and compressibility in models of cardiac mechanics. In this paper we show how both formulations may be equivalently thought of as a weakly penalized system derived from the statically condensed Perturbed Lagrangian formulation, which may be directly discretized maintaining the simplicity of penalty formulations with the convergence characteristics of LM techniques. A modified Shamanskii–Newton–Raphson scheme is introduced to enhance the nonlinear convergence of the weakly penalized system and, exploiting its equivalence, modifications are developed for the penalty form. Focusing on accuracy, we proceed to study the convergence behavior of these approaches using different interpolation schemes for both a simple test problem and more complex models of cardiac mechanics. Our results illustrate the well-known influence of locking phenomena on the penalty approach (particularly for lower order schemes) and its effect on accuracy for whole-cycle mechanics. Additionally, we verify that direct discretization of the weakly penalized form produces similar convergence behavior to mixed formulations while avoiding the use of an additional variable. Combining a simple structure which allows the solution of computationally challenging problems with good convergence characteristics, the weakly penalized form provides an accurate and efficient alternative to incompressibility and compressibility in cardiac mechanics. PMID:25187672

A displacement-based finite element formulation for incompressible and nearly-incompressible cardiac mechanics.

PubMed

Hadjicharalambous, Myrianthi; Lee, Jack; Smith, Nicolas P; Nordsletten, David A

2014-06-01

The Lagrange Multiplier (LM) and penalty methods are commonly used to enforce incompressibility and compressibility in models of cardiac mechanics. In this paper we show how both formulations may be equivalently thought of as a weakly penalized system derived from the statically condensed Perturbed Lagrangian formulation, which may be directly discretized maintaining the simplicity of penalty formulations with the convergence characteristics of LM techniques. A modified Shamanskii-Newton-Raphson scheme is introduced to enhance the nonlinear convergence of the weakly penalized system and, exploiting its equivalence, modifications are developed for the penalty form. Focusing on accuracy, we proceed to study the convergence behavior of these approaches using different interpolation schemes for both a simple test problem and more complex models of cardiac mechanics. Our results illustrate the well-known influence of locking phenomena on the penalty approach (particularly for lower order schemes) and its effect on accuracy for whole-cycle mechanics. Additionally, we verify that direct discretization of the weakly penalized form produces similar convergence behavior to mixed formulations while avoiding the use of an additional variable. Combining a simple structure which allows the solution of computationally challenging problems with good convergence characteristics, the weakly penalized form provides an accurate and efficient alternative to incompressibility and compressibility in cardiac mechanics.

Preliminary Analysis of the BASALA-H Experimental Programme

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

Blaise, Patrick; Fougeras, Philippe; Philibert, Herve

2002-07-01

This paper is focused on the preliminary analysis of results obtained on the first cores of the first phase of the BASALA (Boiling water reactor Advanced core physics Study Aimed at mox fuel Lattice) programme, aimed at studying the neutronic parameters in ABWR core in hot conditions, currently under investigation in the French EOLE critical facility, within the framework of a cooperation between NUPEC, CEA and Cogema. The first 'on-line' analysis of the results has been made, using a new preliminary design and safety scheme based on the French APOLLO-2 code in its 2.4 qualified version and associated CEA-93 V4more » (JEF-2.2) Library, that will enable the Experimental Physics Division (SPEx) to perform future core designs. It describes the scheme adopted and the results obtained in various cases, going to the critical size determination to the reactivity worth of the perturbed configurations (voided, over-moderated, and poisoned with Gd{sub 2}O{sub 3}-UO{sub 2} pins). A preliminary study on the experimental results on the MISTRAL-4 is resumed, and the comparison of APOLLO-2 versus MCNP-4C calculations on these cores is made. The results obtained show very good agreements between the two codes, and versus the experiment. This work opens the way to the future full analysis of the experimental results of the qualifying teams with completely validated schemes, based on the new 2.5 version of the APOLLO-2 code. (authors)« less

Application of perturbation theory to lattice calculations based on method of cyclic characteristics

NASA Astrophysics Data System (ADS)

Assawaroongruengchot, Monchai

Perturbation theory is a technique used for the estimation of changes in performance functionals, such as linear reaction rate ratio and eigenvalue affected by small variations in reactor core compositions. Here the algorithm of perturbation theory is developed for the multigroup integral neutron transport problems in 2D fuel assemblies with isotropic scattering. The integral transport equation is used in the perturbative formulation because it represents the interconnecting neutronic systems of the lattice assemblies via the tracking lines. When the integral neutron transport equation is used in the formulation, one needs to solve the resulting integral transport equations for the flux importance and generalized flux importance functions. The relationship between the generalized flux importance and generalized source importance functions is defined in order to transform the generalized flux importance transport equations into the integro-differential equations for the generalized adjoints. Next we develop the adjoint and generalized adjoint transport solution algorithms based on the method of cyclic characteristics (MOCC) in DRAGON code. In the MOCC method, the adjoint characteristics equations associated with a cyclic tracking line are formulated in such a way that a closed form for the adjoint angular function can be obtained. The MOCC method then requires only one cycle of scanning over the cyclic tracking lines in each spatial iteration. We also show that the source importance function by CP method is mathematically equivalent to the adjoint function by MOCC method. In order to speed up the MOCC solution algorithm, a group-reduction and group-splitting techniques based on the structure of the adjoint scattering matrix are implemented. A combined forward flux/adjoint function iteration scheme, based on the group-splitting technique and the common use of a large number of variables storing tracking-line data and exponential values, is proposed to reduce the computing time when both direct and adjoint solutions are required. A problem that arises for the generalized adjoint problem is that the direct use of the negative external generalized adjoint sources in the adjoint solution algorithm results in negative generalized adjoint functions. A coupled flux biasing/decontamination scheme is applied to make the generalized adjoint functions positive using the adjoint functions in such a way that it can be used for the multigroup rebalance technique. Next we consider the application of the perturbation theory to the reactor problems. Since the coolant void reactivity (CVR) is a important factor in reactor safety analysis, we have decided to select this parameter for optimization studies. We consider the optimization and adjoint sensitivity techniques for the adjustments of CVR at beginning of burnup cycle (BOC) and k eff at end of burnup cycle (EOC) for a 2D Advanced CANDU Reactor (ACR) lattice. The sensitivity coefficients are evaluated using the perturbation theory based on the integral transport equations. Three sets of parameters for CVR-BOC and keff-EOC adjustments are studied: (1) Dysprosium density in the central pin with Uranium enrichment in the outer fuel rings, (2) Dysprosium density and Uranium enrichment both in the central pin, and (3) the same parameters as in the first case but the objective is to obtain a negative checkerboard CVR at beginning of cycle (CBCVR-BOC). To approximate the sensitivity coefficient at EOC, we perform constant-power burnup/depletion calculations for 600 full power days (FPD) using a slightly perturbed nuclear library and the unperturbed neutron fluxes to estimate the variation of nuclide densities at EOC. Sensitivity analyses of CVR and eigenvalue are included in the study. In addition the optimization and adjoint sensitivity techniques are applied to the CBCVR-BOC and keff-EOC adjustment of the ACR lattices with Gadolinium in the central pin. Finally we apply these techniques to the CVR-BOC, CVR-EOC and keff-EOC adjustment of a CANDU lattice of which the burnup period is extended from 300 to 450 FPDs. The cases with the central pin containing either Dysprosium or Gadolinium in the natural Uranium are considered in our study. (Abstract shortened by UMI.)

Two-loop matching factors for light quark masses and three-loop mass anomalous dimensions in the regularization invariant symmetric momentum-subtraction schemes

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

Almeida, Leandro G.; Physics Department, Brookhaven National Laboratory, Upton, New York 11973; Sturm, Christian

2010-09-01

Light quark masses can be determined through lattice simulations in regularization invariant momentum-subtraction (RI/MOM) schemes. Subsequently, matching factors, computed in continuum perturbation theory, are used in order to convert these quark masses from a RI/MOM scheme to the MS scheme. We calculate the two-loop corrections in QCD to these matching factors as well as the three-loop mass anomalous dimensions for the RI/SMOM and RI/SMOM{sub {gamma}{sub {mu}} }schemes. These two schemes are characterized by a symmetric subtraction point. Providing the conversion factors in the two different schemes allows for a better understanding of the systematic uncertainties. The two-loop expansion coefficients ofmore » the matching factors for both schemes turn out to be small compared to the traditional RI/MOM schemes. For n{sub f}=3 quark flavors they are about 0.6%-0.7% and 2%, respectively, of the leading order result at scales of about 2 GeV. Therefore, they will allow for a significant reduction of the systematic uncertainty of light quark mass determinations obtained through this approach. The determination of these matching factors requires the computation of amputated Green's functions with the insertions of quark bilinear operators. As a by-product of our calculation we also provide the corresponding results for the tensor operator.« less

Two-loop matching factors for light quark masses and three-loop mass anomalous dimensions in the RI/SMOM schemes

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

Sturm, C.; Almeida, L.

2010-04-26

Light quark masses can be determined through lattice simulations in regularization invariant momentum-subtraction (RI/MOM) schemes. Subsequently, matching factors, computed in continuum perturbation theory, are used in order to convert these quark masses from a RI/MOM scheme to the {ovr MS} scheme. We calculate the two-loop corrections in QCD to these matching factors as well as the three-loop mass anomalous dimensions for the RI/SMOM and RI/SMOM{sub {gamma}{mu}} schemes. These two schemes are characterized by a symmetric subtraction point. Providing the conversion factors in the two different schemes allows for a better understanding of the systematic uncertainties. The two-loop expansion coefficients ofmore » the matching factors for both schemes turn out to be small compared to the traditional RI/MOM schemes. For n{sub f} = 3 quark flavors they are about 0.6%-0.7% and 2%, respectively, of the leading order result at scales of about 2 GeV. Therefore, they will allow for a significant reduction of the systematic uncertainty of light quark mass determinations obtained through this approach. The determination of these matching factors requires the computation of amputated Green's functions with the insertions of quark bilinear operators. As a by-product of our calculation we also provide the corresponding results for the tensor operator.« less

Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs.

PubMed

Czyznikowska, Z; Góra, R W; Zaleśny, R; Lipkowski, P; Jarzembska, K N; Dominiak, P M; Leszczynski, J

2010-07-29

A set of nearly 100 crystallographic structures was analyzed using ab initio methods in order to verify the effect of the conformational variability of Watson-Crick guanine-cytosine and adenine-thymine base pairs on the intermolecular interaction energy and its components. Furthermore, for the representative structures, a potential energy scan of the structural parameters describing mutual orientation of the base pairs was carried out. The results were obtained using the hybrid variational-perturbational interaction energy decomposition scheme. The electron correlation effects were estimated by means of the second-order Møller-Plesset perturbation theory and coupled clusters with singles and doubles method adopting AUG-cc-pVDZ basis set. Moreover, the characteristics of hydrogen bonds in complexes, mimicking those appearing in B-DNA, were evaluated using topological analysis of the electron density. Although the first-order electrostatic energy is usually the largest stabilizing component, it is canceled out by the associated exchange repulsion in majority of the studied crystallographic structures. Therefore, the analyzed complexes of the nucleic acid bases appeared to be stabilized mainly by the delocalization component of the intermolecular interaction energy which, in terms of symmetry adapted perturbation theory, encompasses the second- and higher-order induction and exchange-induction terms. Furthermore, it was found that the dispersion contribution, albeit much smaller in terms of magnitude, is also a vital stabilizing factor. It was also revealed that the intermolecular interaction energy and its components are strongly influenced by four (out of six) structural parameters describing mutual orientation of bases in Watson-Crick pairs, namely shear, stagger, stretch, and opening. Finally, as a part of a model study, much of the effort was devoted to an extensive testing of the UBDB databank. It was shown that the databank quite successfully reproduces the electrostatic energy determined with the aid of ab initio methods.

Aeroacoustic simulation of a linear cascade by a prefactored compact scheme

NASA Astrophysics Data System (ADS)

Ghillani, Pietro

This work documents the development of a three-dimensional high-order prefactored compact finite-difference solver for computational aeroacoustics (CAA) based on the inviscid Euler equations. This time explicit scheme is applied to representative problems of sound generation by flow interacting with solid boundaries. Four aeroacoustic problems are explored and the results validated against available reference analytical solution. Selected mesh convergence studies are conducted to determine the effective order of accuracy of the complete scheme. The first test case simulates the noise emitted by a still cylinder in an oscillating field. It provides a simple validation for the CAA-compatible solid wall condition used in the remainder of the work. The following test cases are increasingly complex versions of the turbomachinery rotor-stator interaction problem taken from NASA CAA workshops. In all the cases the results are compared against the available literature. The numerical method features some appreciable contributions to computational aeroacoustics. A reduced data exchange technique for parallel computations is implemented, which requires the exchange of just two values for each boundary node, independently of the size of the zone overlap. A modified version of the non-reflecting buffer layer by Chen is used to allow aerodynamic perturbations at the through flow boundaries. The Giles subsonic boundary conditions are extended to three-dimensional curvilinear coordinates. These advances have enabled to resolve the aerodynamic noise generation and near-field propagation on a representative cascade geometry with a time-marching scheme, with accuracy similar to spectral methods..

Impact of Stochastic Parameterization Schemes on Coupled and Uncoupled Climate Simulations with the Community Earth System Model

NASA Astrophysics Data System (ADS)

Christensen, H. M.; Berner, J.; Coleman, D.; Palmer, T.

2015-12-01

Stochastic parameterizations have been used for more than a decade in atmospheric models to represent the variability of unresolved sub-grid processes. They have a beneficial effect on the spread and mean state of medium- and extended-range forecasts (Buizza et al. 1999, Palmer et al. 2009). There is also increasing evidence that stochastic parameterization of unresolved processes could be beneficial for the climate of an atmospheric model through noise enhanced variability, noise-induced drift (Berner et al. 2008), and by enabling the climate simulator to explore other flow regimes (Christensen et al. 2015; Dawson and Palmer 2015). We present results showing the impact of including the Stochastically Perturbed Parameterization Tendencies scheme (SPPT) in coupled runs of the National Center for Atmospheric Research (NCAR) Community Atmosphere Model, version 4 (CAM4) with historical forcing. The SPPT scheme accounts for uncertainty in the CAM physical parameterization schemes, including the convection scheme, by perturbing the parametrised temperature, moisture and wind tendencies with a multiplicative noise term. SPPT results in a large improvement in the variability of the CAM4 modeled climate. In particular, SPPT results in a significant improvement to the representation of the El Nino-Southern Oscillation in CAM4, improving the power spectrum, as well as both the inter- and intra-annual variability of tropical pacific sea surface temperatures. References: Berner, J., Doblas-Reyes, F. J., Palmer, T. N., Shutts, G. J., & Weisheimer, A., 2008. Phil. Trans. R. Soc A, 366, 2559-2577 Buizza, R., Miller, M. and Palmer, T. N., 1999. Q.J.R. Meteorol. Soc., 125, 2887-2908. Christensen, H. M., I. M. Moroz & T. N. Palmer, 2015. Clim. Dynam., doi: 10.1007/s00382-014-2239-9 Dawson, A. and T. N. Palmer, 2015. Clim. Dynam., doi: 10.1007/s00382-014-2238-x Palmer, T.N., R. Buizza, F. Doblas-Reyes, et al., 2009, ECMWF technical memorandum 598.

The generalized scheme-independent Crewther relation in QCD

NASA Astrophysics Data System (ADS)

Shen, Jian-Ming; Wu, Xing-Gang; Ma, Yang; Brodsky, Stanley J.

2017-07-01

The Principle of Maximal Conformality (PMC) provides a systematic way to set the renormalization scales order-by-order for any perturbative QCD calculable processes. The resulting predictions are independent of the choice of renormalization scheme, a requirement of renormalization group invariance. The Crewther relation, which was originally derived as a consequence of conformally invariant field theory, provides a remarkable connection between two observables when the β function vanishes: one can show that the product of the Bjorken sum rule for spin-dependent deep inelastic lepton-nucleon scattering times the Adler function, defined from the cross section for electron-positron annihilation into hadrons, has no pQCD radiative corrections. The ;Generalized Crewther Relation; relates these two observables for physical QCD with nonzero β function; specifically, it connects the non-singlet Adler function (Dns) to the Bjorken sum rule coefficient for polarized deep-inelastic electron scattering (CBjp) at leading twist. A scheme-dependent ΔCSB-term appears in the analysis in order to compensate for the conformal symmetry breaking (CSB) terms from perturbative QCD. In conventional analyses, this normally leads to unphysical dependence in both the choice of the renormalization scheme and the choice of the initial scale at any finite order. However, by applying PMC scale-setting, we can fix the scales of the QCD coupling unambiguously at every order of pQCD. The result is that both Dns and the inverse coefficient CBjp-1 have identical pQCD coefficients, which also exactly match the coefficients of the corresponding conformal theory. Thus one obtains a new generalized Crewther relation for QCD which connects two effective charges, αˆd (Q) =∑i≥1 αˆg1 i (Qi), at their respective physical scales. This identity is independent of the choice of the renormalization scheme at any finite order, and the dependence on the choice of the initial scale is negligible. Similar scale-fixed commensurate scale relations also connect other physical observables at their physical momentum scales, thus providing convention-independent, fundamental precision tests of QCD.

A new Method for the Estimation of Initial Condition Uncertainty Structures in Mesoscale Models

NASA Astrophysics Data System (ADS)

Keller, J. D.; Bach, L.; Hense, A.

2012-12-01

The estimation of fast growing error modes of a system is a key interest of ensemble data assimilation when assessing uncertainty in initial conditions. Over the last two decades three methods (and variations of these methods) have evolved for global numerical weather prediction models: ensemble Kalman filter, singular vectors and breeding of growing modes (or now ensemble transform). While the former incorporates a priori model error information and observation error estimates to determine ensemble initial conditions, the latter two techniques directly address the error structures associated with Lyapunov vectors. However, in global models these structures are mainly associated with transient global wave patterns. When assessing initial condition uncertainty in mesoscale limited area models, several problems regarding the aforementioned techniques arise: (a) additional sources of uncertainty on the smaller scales contribute to the error and (b) error structures from the global scale may quickly move through the model domain (depending on the size of the domain). To address the latter problem, perturbation structures from global models are often included in the mesoscale predictions as perturbed boundary conditions. However, the initial perturbations (when used) are often generated with a variant of an ensemble Kalman filter which does not necessarily focus on the large scale error patterns. In the framework of the European regional reanalysis project of the Hans-Ertel-Center for Weather Research we use a mesoscale model with an implemented nudging data assimilation scheme which does not support ensemble data assimilation at all. In preparation of an ensemble-based regional reanalysis and for the estimation of three-dimensional atmospheric covariance structures, we implemented a new method for the assessment of fast growing error modes for mesoscale limited area models. The so-called self-breeding is development based on the breeding of growing modes technique. Initial perturbations are integrated forward for a short time period and then rescaled and added to the initial state again. Iterating this rapid breeding cycle provides estimates for the initial uncertainty structure (or local Lyapunov vectors) given a specific norm. To avoid that all ensemble perturbations converge towards the leading local Lyapunov vector we apply an ensemble transform variant to orthogonalize the perturbations in the sub-space spanned by the ensemble. By choosing different kind of norms to measure perturbation growth, this technique allows for estimating uncertainty patterns targeted at specific sources of errors (e.g. convection, turbulence). With case study experiments we show applications of the self-breeding method for different sources of uncertainty and different horizontal scales.

A hybrid model for coupling kinetic corrections of fusion reactivity to hydrodynamic implosion simulations

NASA Astrophysics Data System (ADS)

Tang, Xian-Zhu; McDevitt, C. J.; Guo, Zehua; Berk, H. L.

2014-03-01

Inertial confinement fusion requires an imploded target in which a central hot spot is surrounded by a cold and dense pusher. The hot spot/pusher interface can take complicated shape in three dimensions due to hydrodynamic mix. It is also a transition region where the Knudsen and inverse Knudsen layer effect can significantly modify the fusion reactivity in comparison with the commonly used value evaluated with background Maxwellians. Here, we describe a hybrid model that couples the kinetic correction of fusion reactivity to global hydrodynamic implosion simulations. The key ingredient is a non-perturbative treatment of the tail ions in the interface region where the Gamow ion Knudsen number approaches or surpasses order unity. The accuracy of the coupling scheme is controlled by the precise criteria for matching the non-perturbative kinetic model to perturbative solutions in both configuration space and velocity space.

Baryon chiral perturbation theory extended beyond the low-energy region.

PubMed

Epelbaum, E; Gegelia, J; Meißner, Ulf-G; Yao, De-Liang

We consider an extension of the one-nucleon sector of baryon chiral perturbation theory beyond the low-energy region. The applicability of this approach for higher energies is restricted to small scattering angles, i.e. the kinematical region, where the quark structure of hadrons cannot be resolved. The main idea is to re-arrange the low-energy effective Lagrangian according to a new power counting and to exploit the freedom of the choice of the renormalization condition for loop diagrams. We generalize the extended on-mass-shell scheme for the one-nucleon sector of baryon chiral perturbation theory by choosing a sliding scale, that is, we expand the physical amplitudes around kinematical points beyond the threshold. This requires the introduction of complex-valued renormalized coupling constants, which can be either extracted from experimental data, or calculated using the renormalization group evolution of coupling constants fixed in threshold region.

Perturbed cooperative-state feedback strategy for model predictive networked control of interconnected systems.

PubMed

Tran, Tri; Ha, Q P

2018-01-01

A perturbed cooperative-state feedback (PSF) strategy is presented for the control of interconnected systems in this paper. The subsystems of an interconnected system can exchange data via the communication network that has multiple connection topologies. The PSF strategy can resolve both issues, the sensor data losses and the communication network breaks, thanks to the two components of the control including a cooperative-state feedback and a perturbation variable, e.g., u i =K ij x j +w i . The PSF is implemented in a decentralized model predictive control scheme with a stability constraint and a non-monotonic storage function (ΔV(x(k))≥0), derived from the dissipative systems theory. Numerical simulation for the automatic generation control problem in power systems is studied to illustrate the effectiveness of the presented PSF strategy. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

A new mathematical adjoint for the modified SAAF -SN equations

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

Schunert, Sebastian; Wang, Yaqi; Martineau, Richard

2015-01-01

We present a new adjoint FEM weak form, which can be directly used for evaluating the mathematical adjoint, suitable for perturbation calculations, of the self-adjoint angular flux SN equations (SAAF -SN) without construction and transposition of the underlying coefficient matrix. Stabilization schemes incorporated in the described SAAF -SN method make the mathematical adjoint distinct from the physical adjoint, i.e. the solution of the continuous adjoint equation with SAAF -SN . This weak form is implemented into RattleSnake, the MOOSE (Multiphysics Object-Oriented Simulation Environment) based transport solver. Numerical results verify the correctness of the implementation and show its utility both formore » fixed source and eigenvalue problems.« less

Analytic integration of real-virtual counterterms in NNLO jet cross sections I

NASA Astrophysics Data System (ADS)

Aglietti, Ugo; Del Duca, Vittorio; Duhr, Claude; Somogyi, Gábor; Trócsányi, Zoltán

2008-09-01

We present analytic evaluations of some integrals needed to give explicitly the integrated real-virtual counterterms, based on a recently proposed subtraction scheme for next-to-next-to-leading order (NNLO) jet cross sections. After an algebraic reduction of the integrals, integration-by-parts identities are used for the reduction to master integrals and for the computation of the master integrals themselves by means of differential equations. The results are written in terms of one- and two-dimensional harmonic polylogarithms, once an extension of the standard basis is made. We expect that the techniques described here will be useful in computing other integrals emerging in calculations in perturbative quantum field theories.

Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

PubMed

Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

2017-02-14

We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

A well-balanced finite volume scheme for the Euler equations with gravitation. The exact preservation of hydrostatic equilibrium with arbitrary entropy stratification

NASA Astrophysics Data System (ADS)

Käppeli, R.; Mishra, S.

2016-03-01

Context. Many problems in astrophysics feature flows which are close to hydrostatic equilibrium. However, standard numerical schemes for compressible hydrodynamics may be deficient in approximating this stationary state, where the pressure gradient is nearly balanced by gravitational forces. Aims: We aim to develop a second-order well-balanced scheme for the Euler equations. The scheme is designed to mimic a discrete version of the hydrostatic balance. It therefore can resolve a discrete hydrostatic equilibrium exactly (up to machine precision) and propagate perturbations, on top of this equilibrium, very accurately. Methods: A local second-order hydrostatic equilibrium preserving pressure reconstruction is developed. Combined with a standard central gravitational source term discretization and numerical fluxes that resolve stationary contact discontinuities exactly, the well-balanced property is achieved. Results: The resulting well-balanced scheme is robust and simple enough to be very easily implemented within any existing computer code that solves time explicitly or implicitly the compressible hydrodynamics equations. We demonstrate the performance of the well-balanced scheme for several astrophysically relevant applications: wave propagation in stellar atmospheres, a toy model for core-collapse supernovae, convection in carbon shell burning, and a realistic proto-neutron star.

Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response.

PubMed

Caricato, Marco

2018-04-07

We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

Linear response coupled cluster theory with the polarizable continuum model within the singles approximation for the solvent response

NASA Astrophysics Data System (ADS)

Caricato, Marco

2018-04-01

We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.

Techniques of orbital decay and long-term ephemeris prediction for satellites in earth orbit

NASA Technical Reports Server (NTRS)

Barry, B. F.; Pimm, R. S.; Rowe, C. K.

1971-01-01

In the special perturbation method, Cowell and variation-of-parameters formulations of the motion equations are implemented and numerically integrated. Variations in the orbital elements due to drag are computed using the 1970 Jacchia atmospheric density model, which includes the effects of semiannual variations, diurnal bulge, solar activity, and geomagnetic activity. In the general perturbation method, two-variable asymptotic series and automated manipulation capabilities are used to obtain analytical solutions to the variation-of-parameters equations. Solutions are obtained considering the effect of oblateness only and the combined effects of oblateness and drag. These solutions are then numerically evaluated by means of a FORTRAN program in which an updating scheme is used to maintain accurate epoch values of the elements. The atmospheric density function is approximated by a Fourier series in true anomaly, and the 1970 Jacchia model is used to periodically update the Fourier coefficients. The accuracy of both methods is demonstrated by comparing computed orbital elements to actual elements over time spans of up to 8 days for the special perturbation method and up to 356 days for the general perturbation method.

Structural adjustment for accurate conditioning in large-scale subsurface systems

NASA Astrophysics Data System (ADS)

Tahmasebi, Pejman

2017-03-01

Most of the current subsurface simulation approaches consider a priority list for honoring the well and any other auxiliary data, and eventually adopt a middle ground between the quality of the model and conditioning it to hard data. However, as the number of datasets increases, such methods often produce undesirable features in the subsurface model. Due to their high flexibility, subsurface modeling based on training images (TIs) is becoming popular. Providing comprehensive TIs remains, however, an outstanding problem. In addition, identifying a pattern similar to those in the TI that honors the well and other conditioning data is often difficult. Moreover, the current subsurface modeling approaches do not account for small perturbations that may occur in a subsurface system. Such perturbations are active in most of the depositional systems. In this paper, a new methodology is presented that is based on an irregular gridding scheme that accounts for incomplete TIs and minor offsets. Use of the methodology enables one to use a small or incomplete TI and adaptively change the patterns in the simulation grid in order to simultaneously honor the well data and take into account the effect of the local offsets. Furthermore, the proposed method was used on various complex process-based models and their structures are deformed for matching with the conditioning point data. The accuracy and robustness of the proposed algorithm are successfully demonstrated by applying it to models of several complex examples.

Development of a point-kinetic verification scheme for nuclear reactor applications

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

Demazière, C., E-mail: demaz@chalmers.se; Dykin, V.; Jareteg, K.

In this paper, a new method that can be used for checking the proper implementation of time- or frequency-dependent neutron transport models and for verifying their ability to recover some basic reactor physics properties is proposed. This method makes use of the application of a stationary perturbation to the system at a given frequency and extraction of the point-kinetic component of the system response. Even for strongly heterogeneous systems for which an analytical solution does not exist, the point-kinetic component follows, as a function of frequency, a simple analytical form. The comparison between the extracted point-kinetic component and its expectedmore » analytical form provides an opportunity to verify and validate neutron transport solvers. The proposed method is tested on two diffusion-based codes, one working in the time domain and the other working in the frequency domain. As long as the applied perturbation has a non-zero reactivity effect, it is demonstrated that the method can be successfully applied to verify and validate time- or frequency-dependent neutron transport solvers. Although the method is demonstrated in the present paper in a diffusion theory framework, higher order neutron transport methods could be verified based on the same principles.« less

A comparison of two multi-variable integrator windup protection schemes

NASA Technical Reports Server (NTRS)

Mattern, Duane

1993-01-01

Two methods are examined for limit and integrator wind-up protection for multi-input, multi-output linear controllers subject to actuator constraints. The methods begin with an existing linear controller that satisfies the specifications for the nominal, small perturbation, linear model of the plant. The controllers are formulated to include an additional contribution to the state derivative calculations. The first method to be examined is the multi-variable version of the single-input, single-output, high gain, Conventional Anti-Windup (CAW) scheme. Except for the actuator limits, the CAW scheme is linear. The second scheme to be examined, denoted the Modified Anti-Windup (MAW) scheme, uses a scalar to modify the magnitude of the controller output vector while maintaining the vector direction. The calculation of the scalar modifier is a nonlinear function of the controller outputs and the actuator limits. In both cases the constrained actuator is tracked. These two integrator windup protection methods are demonstrated on a turbofan engine control system with five measurements, four control variables, and four actuators. The closed-loop responses of the two schemes are compared and contrasted during limit operation. The issue of maintaining the direction of the controller output vector using the Modified Anti-Windup scheme is discussed and the advantages and disadvantages of both of the IWP methods are presented.

Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

PubMed

Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

2011-11-14

We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

Perturbative Yang-Mills theory without Faddeev-Popov ghost fields

NASA Astrophysics Data System (ADS)

Huffel, Helmuth; Markovic, Danijel

2018-05-01

A modified Faddeev-Popov path integral density for the quantization of Yang-Mills theory in the Feynman gauge is discussed, where contributions of the Faddeev-Popov ghost fields are replaced by multi-point gauge field interactions. An explicit calculation to O (g2) shows the equivalence of the usual Faddeev-Popov scheme and its modified version.

Computational investigation and experimental considerations for the classical implementation of a full adder on SO2 by optical pump-probe schemes.

PubMed

Bomble, L; Lavorel, B; Remacle, F; Desouter-Lecomte, M

2008-05-21

Following the scheme recently proposed by Remacle and Levine [Phys. Rev. A 73, 033820 (2006)], we investigate the concrete implementation of a classical full adder on two electronic states (X 1A1 and C 1B2) of the SO2 molecule by optical pump-probe laser pulses using intuitive and counterintuitive (stimulated Raman adiabatic passage) excitation schemes. The resources needed for providing the inputs and reading out are discussed, as well as the conditions for achieving robustness in both the intuitive and counterintuitive pump-dump sequences. The fidelity of the scheme is analyzed with respect to experimental noise and two kinds of perturbations: The coupling to the neighboring rovibrational states and a finite rotational temperature that leads to a mixture for the initial state. It is shown that the logic processing of a full addition cycle can be realistically experimentally implemented on a picosecond time scale while the readout takes a few nanoseconds.

Damping efficiency of the Tchamwa-Wielgosz explicit dissipative scheme under instantaneous loading conditions

NASA Astrophysics Data System (ADS)

Mahéo, Laurent; Grolleau, Vincent; Rio, Gérard

2009-11-01

To deal with dynamic and wave propagation problems, dissipative methods are often used to reduce the effects of the spurious oscillations induced by the spatial and time discretization procedures. Among the many dissipative methods available, the Tchamwa-Wielgosz (TW) explicit scheme is particularly useful because it damps out the spurious oscillations occurring in the highest frequency domain. The theoretical study performed here shows that the TW scheme is decentered to the right, and that the damping can be attributed to a nodal displacement perturbation. The FEM study carried out using instantaneous 1-D and 3-D compression loads shows that it is useful to display the damping versus the number of time steps in order to obtain a constant damping efficiency whatever the size of element used for the regular meshing. A study on the responses obtained with irregular meshes shows that the TW scheme is only slightly sensitive to the spatial discretization procedure used. To cite this article: L. Mahéo et al., C. R. Mecanique 337 (2009).

Time domain numerical calculations of unsteady vortical flows about a flat plate airfoil

NASA Technical Reports Server (NTRS)

Hariharan, S. I.; Yu, Ping; Scott, J. R.

1989-01-01

A time domain numerical scheme is developed to solve for the unsteady flow about a flat plate airfoil due to imposed upstream, small amplitude, transverse velocity perturbations. The governing equation for the resulting unsteady potential is a homogeneous, constant coefficient, convective wave equation. Accurate solution of the problem requires the development of approximate boundary conditions which correctly model the physics of the unsteady flow in the far field. A uniformly valid far field boundary condition is developed, and numerical results are presented using this condition. The stability of the scheme is discussed, and the stability restriction for the scheme is established as a function of the Mach number. Finally, comparisons are made with the frequency domain calculation by Scott and Atassi, and the relative strengths and weaknesses of each approach are assessed.

Exploring extra dimensions through inflationary tensor modes

NASA Astrophysics Data System (ADS)

Im, Sang Hui; Nilles, Hans Peter; Trautner, Andreas

2018-03-01

Predictions of inflationary schemes can be influenced by the presence of extra dimensions. This could be of particular relevance for the spectrum of gravitational waves in models where the extra dimensions provide a brane-world solution to the hierarchy problem. Apart from models of large as well as exponentially warped extra dimensions, we analyze the size of tensor modes in the Linear Dilaton scheme recently revived in the discussion of the "clockwork mechanism". The results are model dependent, significantly enhanced tensor modes on one side and a suppression on the other. In some cases we are led to a scheme of "remote inflation", where the expansion is driven by energies at a hidden brane. In all cases where tensor modes are enhanced, the requirement of perturbativity of gravity leads to a stringent upper limit on the allowed Hubble rate during inflation.

Precise control of molecular dynamics with a femtosecond frequency comb.

PubMed

Pe'er, Avi; Shapiro, Evgeny A; Stowe, Matthew C; Shapiro, Moshe; Ye, Jun

2007-03-16

We present a general and highly efficient scheme for performing narrow-band Raman transitions between molecular vibrational levels using a coherent train of weak pump-dump pairs of shaped ultrashort pulses. The use of weak pulses permits an analytic description within the framework of coherent control in the perturbative regime, while coherent accumulation of many pulse pairs enables near unity transfer efficiency with a high spectral selectivity, thus forming a powerful combination of pump-dump control schemes and the precision of the frequency comb. Simulations verify the feasibility and robustness of this concept, with the aim to form deeply bound, ultracold molecules.

Stable boundary conditions and difference schemes for Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Dutt, P.

1985-01-01

The Navier-Stokes equations can be viewed as an incompletely elliptic perturbation of the Euler equations. By using the entropy function for the Euler equations as a measure of energy for the Navier-Stokes equations, it was possible to obtain nonlinear energy estimates for the mixed initial boundary value problem. These estimates are used to derive boundary conditions which guarantee L2 boundedness even when the Reynolds number tends to infinity. Finally, a new difference scheme for modelling the Navier-Stokes equations in multidimensions for which it is possible to obtain discrete energy estimates exactly analogous to those we obtained for the differential equation was proposed.

Stochastic Approaches Within a High Resolution Rapid Refresh Ensemble

NASA Astrophysics Data System (ADS)

Jankov, I.

2017-12-01

It is well known that global and regional numerical weather prediction (NWP) ensemble systems are under-dispersive, producing unreliable and overconfident ensemble forecasts. Typical approaches to alleviate this problem include the use of multiple dynamic cores, multiple physics suite configurations, or a combination of the two. While these approaches may produce desirable results, they have practical and theoretical deficiencies and are more difficult and costly to maintain. An active area of research that promotes a more unified and sustainable system is the use of stochastic physics. Stochastic approaches include Stochastic Parameter Perturbations (SPP), Stochastic Kinetic Energy Backscatter (SKEB), and Stochastic Perturbation of Physics Tendencies (SPPT). The focus of this study is to assess model performance within a convection-permitting ensemble at 3-km grid spacing across the Contiguous United States (CONUS) using a variety of stochastic approaches. A single physics suite configuration based on the operational High-Resolution Rapid Refresh (HRRR) model was utilized and ensemble members produced by employing stochastic methods. Parameter perturbations (using SPP) for select fields were employed in the Rapid Update Cycle (RUC) land surface model (LSM) and Mellor-Yamada-Nakanishi-Niino (MYNN) Planetary Boundary Layer (PBL) schemes. Within MYNN, SPP was applied to sub-grid cloud fraction, mixing length, roughness length, mass fluxes and Prandtl number. In the RUC LSM, SPP was applied to hydraulic conductivity and tested perturbing soil moisture at initial time. First iterative testing was conducted to assess the initial performance of several configuration settings (e.g. variety of spatial and temporal de-correlation lengths). Upon selection of the most promising candidate configurations using SPP, a 10-day time period was run and more robust statistics were gathered. SKEB and SPPT were included in additional retrospective tests to assess the impact of using all three stochastic approaches to address model uncertainty. Results from the stochastic perturbation testing were compared to a baseline multi-physics control ensemble. For probabilistic forecast performance the Model Evaluation Tools (MET) verification package was used.

Predictive Sampling of Rare Conformational Events in Aqueous Solution: Designing a Generalized Orthogonal Space Tempering Method.

PubMed

Lu, Chao; Li, Xubin; Wu, Dongsheng; Zheng, Lianqing; Yang, Wei

2016-01-12

In aqueous solution, solute conformational transitions are governed by intimate interplays of the fluctuations of solute-solute, solute-water, and water-water interactions. To promote molecular fluctuations to enhance sampling of essential conformational changes, a common strategy is to construct an expanded Hamiltonian through a series of Hamiltonian perturbations and thereby broaden the distribution of certain interactions of focus. Due to a lack of active sampling of configuration response to Hamiltonian transitions, it is challenging for common expanded Hamiltonian methods to robustly explore solvent mediated rare conformational events. The orthogonal space sampling (OSS) scheme, as exemplified by the orthogonal space random walk and orthogonal space tempering methods, provides a general framework for synchronous acceleration of slow configuration responses. To more effectively sample conformational transitions in aqueous solution, in this work, we devised a generalized orthogonal space tempering (gOST) algorithm. Specifically, in the Hamiltonian perturbation part, a solvent-accessible-surface-area-dependent term is introduced to implicitly perturb near-solute water-water fluctuations; more importantly in the orthogonal space response part, the generalized force order parameter is generalized as a two-dimension order parameter set, in which essential solute-solvent and solute-solute components are separately treated. The gOST algorithm is evaluated through a molecular dynamics simulation study on the explicitly solvated deca-alanine (Ala10) peptide. On the basis of a fully automated sampling protocol, the gOST simulation enabled repetitive folding and unfolding of the solvated peptide within a single continuous trajectory and allowed for detailed constructions of Ala10 folding/unfolding free energy surfaces. The gOST result reveals that solvent cooperative fluctuations play a pivotal role in Ala10 folding/unfolding transitions. In addition, our assessment analysis suggests that because essential conformational events are mainly driven by the compensating fluctuations of essential solute-solvent and solute-solute interactions, commonly employed "predictive" sampling methods are unlikely to be effective on this seemingly "simple" system. The gOST development presented in this paper illustrates how to employ the OSS scheme for physics-based sampling method designs.

Comparison of dynamical approximation schemes for nonlinear gravitaional clustering

NASA Technical Reports Server (NTRS)

Melott, Adrian L.

1994-01-01

We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the lognormal approximation, the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of the approximation by truncation, i.e., by smoothing the initial conditions with various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was cross-correlation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(sub G(exp 2)), where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even when subcondensations are present. This in turn provides a natural explanation for the presence of sheets and filaments in the observed galaxy distribution. Use of the approximation scheme can permit extremely rapid generation of large numbers of realizations of model universes with good accuracy down to galaxy group mass scales.

BP-Dock: A Flexible Docking Scheme for Exploring Protein–Ligand Interactions Based on Unbound Structures

PubMed Central

Bolia, Ashini; Gerek, Z. Nevin; Ozkan, S. Banu

2016-01-01

Molecular docking serves as an important tool in modeling protein–ligand interactions. However, it is still challenging to incorporate overall receptor flexibility, especially backbone flexibility, in docking due to the large conformational space that needs to be sampled. To overcome this problem, we developed a novel flexible docking approach, BP-Dock (Backbone Perturbation-Dock) that can integrate both backbone and side chain conformational changes induced by ligand binding through a multi-scale approach. In the BP-Dock method, we mimic the nature of binding-induced events as a first-order approximation by perturbing the residues along the protein chain with a small Brownian kick one at a time. The response fluctuation profile of the chain upon these perturbations is computed using the perturbation response scanning method. These response fluctuation profiles are then used to generate binding-induced multiple receptor conformations for ensemble docking. To evaluate the performance of BP-Dock, we applied our approach on a large and diverse data set using unbound structures as receptors. We also compared the BP-Dock results with bound and unbound docking, where overall receptor flexibility was not taken into account. Our results highlight the importance of modeling backbone flexibility in docking for recapitulating the experimental binding affinities, especially when an unbound structure is used. With BP-Dock, we can generate a wide range of binding site conformations realized in nature even in the absence of a ligand that can help us to improve the accuracy of unbound docking. We expect that our fast and efficient flexible docking approach may further aid in our understanding of protein–ligand interactions as well as virtual screening of novel targets for rational drug design. PMID:24380381

Z-boson production in association with a jet at next-to-next-to-leading order in perturbative QCD

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

Boughezal, Radja; Campbell, John M.; Ellis, R. Keith

2016-04-14

Here, we present the first complete calculation of Z-boson production in association with a jet in hadronic collisions through next-to-next-to-leading order in perturbative QCD. Our computation uses the recently proposed N-jettiness subtraction scheme to regulate the infrared divergences that appear in the real-emission contributions. We present phenomenological results for 13 TeV proton-proton collisions with fully realistic fiducial cuts on the final-state particles. The remaining theoretical uncertainties after the inclusion of our calculations are at the percent level, making the Z+jet channel ready for precision studies at the LHC run II.

Covariant approach of perturbations in Lovelock type brane gravity

NASA Astrophysics Data System (ADS)

Bagatella-Flores, Norma; Campuzano, Cuauhtemoc; Cruz, Miguel; Rojas, Efraín

2016-12-01

We develop a covariant scheme to describe the dynamics of small perturbations on Lovelock type extended objects propagating in a flat Minkowski spacetime. The higher-dimensional analogue of the Jacobi equation in this theory becomes a wave type equation for a scalar field Φ . Whithin this framework, we analyse the stability of membranes with a de Sitter geometry where we find that the Jacobi equation specializes to a Klein-Gordon (KG) equation for Φ possessing a tachyonic mass. This shows that, to some extent, these types of extended objects share the symmetries of the Dirac-Nambu-Goto (DNG) action which is by no means coincidental because the DNG model is the simplest included in this type of gravity.

Instability analysis of expansion-free sphere in f(𝒢) gravity

NASA Astrophysics Data System (ADS)

Sharif, M.; Ikram, Ayesha

The aim of this paper is to study the dynamical instability of expansion-free spherically symmetric anisotropic fluid in the framework of f(𝒢) gravity. We apply perturbation scheme of the first-order to the metric functions as well as matter variables and construct modified field equations for both static and perturbed configurations using power-law f(𝒢) model. To discuss the instability dynamics, we use the contracted Bianchi identities to formulate the dynamical equations in both Newtonian and post-Newtonian regimes. It is found that the range of instability is independent of adiabatic index for expansion-free fluid but depends on anisotropic pressures, energy density and Gauss-Bonnet (GB) terms.

Ab Initio Calculations of Spin-Orbit Coupling for Heavy-Metal Containing Radicals

NASA Astrophysics Data System (ADS)

Cheng, Lan

2016-06-01

The perturbative treatment of spin-orbit coupling (SOC) on top of scalar-relativistic calculations is a cost-effective alternative to rigorous fully relativistic calculations. In this work the applicability of the perturbative scheme in the framework of spin-free exact two-component theory is demonstrated with calculations of SO splittings and SOC contributions to molecular properties in small heavy-metal containing radicals, including AuO, AuS, and ThO^+. The equation of motion coupled cluster techniques have been used to accurately account for the electron-correlation effects in these radicals, and basis-set effects are carefully analyzed. The computed results are compared with experimental measurements for SO splittings and dipole moments when available.

Decentralization, stabilization, and estimation of large-scale linear systems

NASA Technical Reports Server (NTRS)

Siljak, D. D.; Vukcevic, M. B.

1976-01-01

In this short paper we consider three closely related aspects of large-scale systems: decentralization, stabilization, and estimation. A method is proposed to decompose a large linear system into a number of interconnected subsystems with decentralized (scalar) inputs or outputs. The procedure is preliminary to the hierarchic stabilization and estimation of linear systems and is performed on the subsystem level. A multilevel control scheme based upon the decomposition-aggregation method is developed for stabilization of input-decentralized linear systems Local linear feedback controllers are used to stabilize each decoupled subsystem, while global linear feedback controllers are utilized to minimize the coupling effect among the subsystems. Systems stabilized by the method have a tolerance to a wide class of nonlinearities in subsystem coupling and high reliability with respect to structural perturbations. The proposed output-decentralization and stabilization schemes can be used directly to construct asymptotic state estimators for large linear systems on the subsystem level. The problem of dimensionality is resolved by constructing a number of low-order estimators, thus avoiding a design of a single estimator for the overall system.

Uncertainty analysis and robust trajectory linearization control of a flexible air-breathing hypersonic vehicle

NASA Astrophysics Data System (ADS)

Pu, Zhiqiang; Tan, Xiangmin; Fan, Guoliang; Yi, Jianqiang

2014-08-01

Flexible air-breathing hypersonic vehicles feature significant uncertainties which pose huge challenges to robust controller designs. In this paper, four major categories of uncertainties are analyzed, that is, uncertainties associated with flexible effects, aerodynamic parameter variations, external environmental disturbances, and control-oriented modeling errors. A uniform nonlinear uncertainty model is explored for the first three uncertainties which lumps all uncertainties together and consequently is beneficial for controller synthesis. The fourth uncertainty is additionally considered in stability analysis. Based on these analyses, the starting point of the control design is to decompose the vehicle dynamics into five functional subsystems. Then a robust trajectory linearization control (TLC) scheme consisting of five robust subsystem controllers is proposed. In each subsystem controller, TLC is combined with the extended state observer (ESO) technique for uncertainty compensation. The stability of the overall closed-loop system with the four aforementioned uncertainties and additional singular perturbations is analyzed. Particularly, the stability of nonlinear ESO is also discussed from a Liénard system perspective. At last, simulations demonstrate the great control performance and the uncertainty rejection ability of the robust scheme.

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

NASA Astrophysics Data System (ADS)

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

2013-02-01

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

Sound Emission of Rotor Induced Deformations of Generator Casings

NASA Technical Reports Server (NTRS)

Polifke, W.; Mueller, B.; Yee, H. C.; Mansour, Nagi (Technical Monitor)

2001-01-01

The casing of large electrical generators can be deformed slightly by the rotor's magnetic field. The sound emission produced by these periodic deformations, which could possibly exceed guaranteed noise emission limits, is analysed analytically and numerically. From the deformation of the casing, the normal velocity of the generator's surface is computed. Taking into account the corresponding symmetry, an analytical solution for the acoustic pressure outside the generator is round in terms of the Hankel function of second order. The normal velocity or the generator surface provides the required boundary condition for the acoustic pressure and determines the magnitude of pressure oscillations. For the numerical simulation, the nonlinear 2D Euler equations are formulated In a perturbation form for low Mach number Computational Aeroacoustics (CAA). The spatial derivatives are discretized by the classical sixth-order central interior scheme and a third-order boundary scheme. Spurious high frequency oscillations are damped by a characteristic-based artificial compression method (ACM) filter. The time derivatives are approximated by the classical 4th-order Runge-Kutta method. The numerical results are In excellent agreement with the analytical solution.

Fidelity of Majorana-based quantum operations

NASA Astrophysics Data System (ADS)

Tanhayi Ahari, Mostafa; Ortiz, Gerardo; Seradjeh, Babak

2015-03-01

It is well known that one-dimensional p-wave superconductor, the so-called Kitaev model, has topologically distinct phases that are distinguished by the presence of Majorana fermions. Owing to their topological protection, these Majorana fermions have emerged as candidates for fault-tolerant quantum computation. They furnish the operation of such a computation via processes that produce, braid, and annihilate them in pairs. In this work we study some of these processes from the dynamical perspective. In particular, we determine the fidelity of the Majorana fermions when they are produced or annihilated by tuning the system through the corresponding topological phase transition. For a simple linear protocol, we derive analytical expressions for fidelity and test various perturbative schemes. For more general protocols, we present exact numerics. Our results are relevant for the operation of Majorana-based quantum gates and quantum memories.

Methods for the calculation of axial wave numbers in lined ducts with mean flow

NASA Technical Reports Server (NTRS)

Eversman, W.

1981-01-01

A survey is made of the methods available for the calculation of axial wave numbers in lined ducts. Rectangular and circular ducts with both uniform and non-uniform flow are considered as are ducts with peripherally varying liners. A historical perspective is provided by a discussion of the classical methods for computing attenuation when no mean flow is present. When flow is present these techniques become either impractical or impossible. A number of direct eigenvalue determination schemes which have been used when flow is present are discussed. Methods described are extensions of the classical no-flow technique, perturbation methods based on the no-flow technique, direct integration methods for solution of the eigenvalue equation, an integration-iteration method based on the governing differential equation for acoustic transmission, Galerkin methods, finite difference methods, and finite element methods.

Improved scheme for Cross-track Infrared Sounder geolocation assessment and optimization

NASA Astrophysics Data System (ADS)

Wang, Likun; Zhang, Bin; Tremblay, Denis; Han, Yong

2017-01-01

An improved scheme for Cross-track Infrared Sounder (CrIS) geolocation assessment for all scan angles (from -48.5° to 48.5°) is developed in this study. The method uses spatially collocated radiance measurements from the Visible Infrared Imaging Radiometer Suite (VIIRS) image band I5 to evaluate the geolocation performance of the CrIS Sensor Data Records (SDR) by taking advantage of its high spatial resolution (375 m at nadir) and accurate geolocation. The basic idea is to perturb CrIS line-of-sight vectors along the in-track and cross-track directions to find a position where CrIS and VIIRS data matches more closely. The perturbation angles at this best matched position are then used to evaluate the CrIS geolocation accuracy. More importantly, the new method is capable of performing postlaunch on-orbit geometric calibration by optimizing mapping angle parameters based on the assessment results and thus can be further extended to the following CrIS sensors on new satellites. Finally, the proposed method is employed to evaluate the CrIS geolocation accuracy on current Suomi National Polar-orbiting Partnership satellite. The error characteristics are revealed along the scan positions in the in-track and cross-track directions. It is found that there are relatively large errors ( 4 km) in the cross-track direction close to the end of scan positions. With newly updated mapping angles, the geolocation accuracy is greatly improved for all scan positions (less than 0.3 km). This makes CrIS and VIIRS spatially align together and thus benefits the application that needs combination of CrIS and VIIRS measurements and products.

Validation of an In-Water, Tower-Shading Correction Scheme

NASA Technical Reports Server (NTRS)

Hooker, Stanford B. (Editor); Firestone, Elaine R. (Editor); Doyle, John P.; Zibordi, Giuseppe; vanderLinde, Dirk

2003-01-01

Large offshore structures used for the deployment of optical instruments can significantly perturb the intensity of the light field surrounding the optical measurement point, where different portions of the visible spectrum are subject to different shadowing effects. These effects degrade the quality of the acquired optical data and can reduce the accuracy of several derived quantities, such as those obtained by applying bio-optical algorithms directly to the shadow-perturbed data. As a result, optical remote sensing calibration and validation studies can be impaired if shadowing artifacts are not fully accounted for. In this work, the general in-water shadowing problem is examined for a particular case study. Backward Monte Carlo (MC) radiative transfer computations- performed in a vertically stratified, horizontally inhomogeneous, and realistic ocean-atmosphere system are shown to accurately simulate the shadow-induced relative percent errors affecting the radiance and irradiance data profiles acquired close to an oceanographic tower. Multiparameter optical data processing has provided adequate representation of experimental uncertainties allowing consistent comparison with simulations. The more detailed simulations at the subsurface depth appear to be essentially equivalent to those obtained assuming a simplified ocean-atmosphere system, except in highly stratified waters. MC computations performed in the simplified system can be assumed, therefore, to accurately simulate the optical measurements conducted under more complex sampling conditions (i.e., within waters presenting moderate stratification at most). A previously reported correction scheme, based on the simplified MC simulations, and developed for subsurface shadow-removal processing of in-water optical data taken close to the investigated oceanographic tower, is then validated adequately under most experimental conditions. It appears feasible to generalize the present tower-specific approach to solve other optical sensor shadowing problems pertaining to differently shaped deployment platforms, and also including surrounding structures and instrument casings.

Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations.

PubMed

Jiang, Wei; Roux, Benoît

2010-07-01

Free Energy Perturbation with Replica Exchange Molecular Dynamics (FEP/REMD) offers a powerful strategy to improve the convergence of free energy computations. In particular, it has been shown previously that a FEP/REMD scheme allowing random moves within an extended replica ensemble of thermodynamic coupling parameters "lambda" can improve the statistical convergence in calculations of absolute binding free energy of ligands to proteins [J. Chem. Theory Comput. 2009, 5, 2583]. In the present study, FEP/REMD is extended and combined with an accelerated MD simulations method based on Hamiltonian replica-exchange MD (H-REMD) to overcome the additional problems arising from the existence of kinetically trapped conformations within the protein receptor. In the combined strategy, each system with a given thermodynamic coupling factor lambda in the extended ensemble is further coupled with a set of replicas evolving on a biased energy surface with boosting potentials used to accelerate the inter-conversion among different rotameric states of the side chains in the neighborhood of the binding site. Exchanges are allowed to occur alternatively along the axes corresponding to the thermodynamic coupling parameter lambda and the boosting potential, in an extended dual array of coupled lambda- and H-REMD simulations. The method is implemented on the basis of new extensions to the REPDSTR module of the biomolecular simulation program CHARMM. As an illustrative example, the absolute binding free energy of p-xylene to the nonpolar cavity of the L99A mutant of T4 lysozyme was calculated. The tests demonstrate that the dual lambda-REMD and H-REMD simulation scheme greatly accelerates the configurational sampling of the rotameric states of the side chains around the binding pocket, thereby improving the convergence of the FEP computations.

Nonperturbative evaluation for anomalous dimension in 2-dimensional O (3 ) sigma model

NASA Astrophysics Data System (ADS)

Calle Jimenez, Sergio; Oka, Makoto; Sasaki, Kiyoshi

2018-06-01

We nonperturbatively calculate the wave-function renormalization in the two-dimensional O (3 ) sigma model. It is evaluated in a box with a finite spatial extent. We determine the anomalous dimension in the finite-volume scheme through an analysis of the step-scaling function. Results are compared with a perturbative evaluation, and reasonable behavior is observed.

How nonperturbative is the infrared regime of Landau gauge Yang-Mills correlators?

NASA Astrophysics Data System (ADS)

Reinosa, U.; Serreau, J.; Tissier, M.; Wschebor, N.

2017-07-01

We study the Landau gauge correlators of Yang-Mills fields for infrared Euclidean momenta in the context of a massive extension of the Faddeev-Popov Lagrangian which, we argue, underlies a variety of continuum approaches. Standard (perturbative) renormalization group techniques with a specific, infrared-safe renormalization scheme produce so-called decoupling and scaling solutions for the ghost and gluon propagators, which correspond to nontrivial infrared fixed points. The decoupling fixed point is infrared stable and weakly coupled, while the scaling fixed point is unstable and generically strongly coupled except for low dimensions d →2 . Under the assumption that such a scaling fixed point exists beyond one-loop order, we find that the corresponding ghost and gluon scaling exponents are, respectively, 2 αF=2 -d and 2 αG=d at all orders of perturbation theory in the present renormalization scheme. We discuss the relation between the ghost wave function renormalization, the gluon screening mass, the scale of spectral positivity violation, and the gluon mass parameter. We also show that this scaling solution does not realize the standard Becchi-Rouet-Stora-Tyutin symmetry of the Faddeev-Popov Lagrangian. Finally, we discuss our findings in relation to the results of nonperturbative continuum methods.

CGC factorization for forward particle production in proton-nucleus collisions at next-to-leading order

DOE PAGES

Iancu, E.; Mueller, A. H.; Triantafyllopoulos, D. N.

2016-12-13

Within the Color Glass Condensate effective theory, we reconsider the next-to-leading order (NLO) calculation of the single inclusive particle production at forward rapidities in proton-nucleus collisions at high energy. Focusing on quark production for definiteness, we establish a new factorization scheme, perturbatively correct through NLO, in which there is no ‘rapidity subtraction’. That is, the NLO correction to the impact factor is not explicitly separated from the high-energy evolution. Our construction exploits the skeleton structure of the (NLO) Balitsky-Kovchegov equation, in which the first step of the evolution is explicitly singled out. The NLO impact factor is included by computingmore » this first emission with the exact kinematics for the emitted gluon, rather than by using the eikonal approximation. This particular calculation has already been presented in the literature, but the reorganization of the perturbation theory that we propose is new. As compared to the proposal in, our scheme is free of the fine-tuning inherent in the rapidity subtraction, which might be the origin of the negativity of the NLO cross-section observed in previous studies.« less

Impacts of a Fire Smoke Plume on Deep Convective Clouds Observed during DC3

NASA Astrophysics Data System (ADS)

Takeishi, A.; Storelvmo, T.; Zagar, M.

2014-12-01

While the ability of aerosols to act as cloud condensation nuclei (CCN) and ice nuclei (IN) is well recognized, the effects of changing aerosol number concentrations on convective clouds have only been studied extensively in recent years. As deep convective clouds can produce heavy precipitation and may sometimes bring severe damages, especially in the tropics, we need to understand the changes in the convective systems that could stem from aerosol perturbations. By perturbing convective clouds, it has also been proposed that aerosols can affect large-scale climate. According to the convective invigoration mechanism, an increase in the aerosol concentration could lead to a larger amount of rainfall and higher vertical velocities in convective clouds, due to an increase in the latent heat release aloft. With some of the satellite observations supporting this mechanism, it is necessary to understand how sensitive the model simulations actually are to aerosol perturbations. This study uses the Weather Research and Forecasting (WRF) model as a cloud-resolving model to reproduce deep convective clouds observed during the Deep Convective Clouds and Chemistry (DC3) field campaign. The convective cloud of our interest was observed in northeastern Colorado on June 22nd in 2012, with a plume of forest fire smoke flowing into its core. Compared to other convective cells observed in the same area on different days, our aircraft data analysis shows that the convective cloud in question included more organic aerosols and more CCN. These indicate the influence of the biomass burning. We compare the results from simulations with different microphysics schemes and different cloud or ice number concentrations. These sensitivity tests tell us how different the amount and the pattern of precipitation would have been if the aerosol concentration had been higher or lower on that day. Both the sensitivity to aerosol perturbation and the reproducibility of the storm are shown to highly depend on the choice of the microphysics scheme.

Highly Parallel Alternating Directions Algorithm for Time Dependent Problems

NASA Astrophysics Data System (ADS)

Ganzha, M.; Georgiev, K.; Lirkov, I.; Margenov, S.; Paprzycki, M.

2011-11-01

In our work, we consider the time dependent Stokes equation on a finite time interval and on a uniform rectangular mesh, written in terms of velocity and pressure. For this problem, a parallel algorithm based on a novel direction splitting approach is developed. Here, the pressure equation is derived from a perturbed form of the continuity equation, in which the incompressibility constraint is penalized in a negative norm induced by the direction splitting. The scheme used in the algorithm is composed of two parts: (i) velocity prediction, and (ii) pressure correction. This is a Crank-Nicolson-type two-stage time integration scheme for two and three dimensional parabolic problems in which the second-order derivative, with respect to each space variable, is treated implicitly while the other variable is made explicit at each time sub-step. In order to achieve a good parallel performance the solution of the Poison problem for the pressure correction is replaced by solving a sequence of one-dimensional second order elliptic boundary value problems in each spatial direction. The parallel code is implemented using the standard MPI functions and tested on two modern parallel computer systems. The performed numerical tests demonstrate good level of parallel efficiency and scalability of the studied direction-splitting-based algorithm.

Learning to Generate Sequences with Combination of Hebbian and Non-hebbian Plasticity in Recurrent Spiking Neural Networks

PubMed Central

Panda, Priyadarshini; Roy, Kaushik

2017-01-01

Synaptic Plasticity, the foundation for learning and memory formation in the human brain, manifests in various forms. Here, we combine the standard spike timing correlation based Hebbian plasticity with a non-Hebbian synaptic decay mechanism for training a recurrent spiking neural model to generate sequences. We show that inclusion of the adaptive decay of synaptic weights with standard STDP helps learn stable contextual dependencies between temporal sequences, while reducing the strong attractor states that emerge in recurrent models due to feedback loops. Furthermore, we show that the combined learning scheme suppresses the chaotic activity in the recurrent model substantially, thereby enhancing its' ability to generate sequences consistently even in the presence of perturbations. PMID:29311774

Simulation and analysis of chemical release in the ionosphere

NASA Astrophysics Data System (ADS)

Gao, Jing-Fan; Guo, Li-Xin; Xu, Zheng-Wen; Zhao, Hai-Sheng; Feng, Jie

2018-05-01

Ionospheric inhomogeneous plasma produced by single point chemical release has simple space-time structure, and cannot impact radio wave frequencies higher than Very High Frequency (VHF) band. In order to produce more complicated ionospheric plasma perturbation structure and trigger instabilities phenomena, multiple-point chemical release scheme is presented in this paper. The effects of chemical release on low latitude ionospheric plasma are estimated by linear instability growth rate theory that high growth rate represents high irregularities, ionospheric scintillation occurrence probability and high scintillation intension in scintillation duration. The amplitude scintillations and the phase scintillations of 150 MHz, 400 MHz, and 1000 MHz are calculated based on the theory of multiple phase screen (MPS), when they propagate through the disturbed area.

Resilience of hybrid optical angular momentum qubits to turbulence

PubMed Central

Farías, Osvaldo Jiménez; D'Ambrosio, Vincenzo; Taballione, Caterina; Bisesto, Fabrizio; Slussarenko, Sergei; Aolita, Leandro; Marrucci, Lorenzo; Walborn, Stephen P.; Sciarrino, Fabio

2015-01-01

Recent schemes to encode quantum information into the total angular momentum of light, defining rotation-invariant hybrid qubits composed of the polarization and orbital angular momentum degrees of freedom, present interesting applications for quantum information technology. However, there remains the question as to how detrimental effects such as random spatial perturbations affect these encodings. Here, we demonstrate that alignment-free quantum communication through a turbulent channel based on hybrid qubits can be achieved with unit transmission fidelity. In our experiment, alignment-free qubits are produced with q-plates and sent through a homemade turbulence chamber. The decoding procedure, also realized with q-plates, relies on both degrees of freedom and renders an intrinsic error-filtering mechanism that maps errors into losses. PMID:25672667

Charge separation at nanoscale interfaces: energy-level alignment including two-quasiparticle interactions.

PubMed

Li, Huashan; Lin, Zhibin; Lusk, Mark T; Wu, Zhigang

2014-10-21

The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.

Multipoint propagators for non-Gaussian initial conditions

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

Bernardeau, Francis; Sefusatti, Emiliano; Crocce, Martin

2010-10-15

We show here how renormalized perturbation theory calculations applied to the quasilinear growth of the large-scale structure can be carried on in presence of primordial non-Gaussian (PNG) initial conditions. It is explicitly demonstrated that the series reordering scheme proposed in Bernardeau, Crocce, and Scoccimarro [Phys. Rev. D 78, 103521 (2008)] is preserved for non-Gaussian initial conditions. This scheme applies to the power spectrum and higher-order spectra and is based on a reorganization of the contributing terms into the sum of products of multipoint propagators. In case of PNG, new contributing terms appear, the importance of which is discussed in themore » context of current PNG models. The properties of the building blocks of such resummation schemes, the multipoint propagators, are then investigated. It is first remarked that their expressions are left unchanged at one-loop order irrespective of statistical properties of the initial field. We furthermore show that the high-momentum limit of each of these propagators can be explicitly computed even for arbitrary initial conditions. They are found to be damped by an exponential cutoff whose expression is directly related to the moment generating function of the one-dimensional displacement field. This extends what had been established for multipoint propagators for Gaussian initial conditions. Numerical forms of the cutoff are shown for the so-called local model of PNG.« less

Feedback control of plasma instabilities with charged particle beams and study of plasma turbulence

NASA Technical Reports Server (NTRS)

Tham, Philip Kin-Wah

1994-01-01

A new non-perturbing technique for feedback control of plasma instabilities has been developed in the Columbia Linear Machine (CLM). The feedback control scheme involves the injection of a feedback modulated ion beam as a remote suppressor. The ion beam was obtained from a compact ion beam source which was developed for this purpose. A Langmuir probe was used as the feedback sensor. The feedback controller consisted of a phase-shifter and amplifiers. This technique was demonstrated by stabilizing various plasma instabilities to the background noise level, like the trapped particle instability, the ExB instability and the ion-temperature-gradient (ITG) driven instability. An important feature of this scheme is that the injected ion beam is non-perturbing to the plasma equilibrium parameters. The robustness of this feedback stabilization scheme was also investigated. The principal result is that the scheme is fairly robust, tolerating about 100% variation about the nominal parameter values. Next, this scheme is extended to the unsolved general problem of controlling multimode plasma instabilities simultaneously with a single sensor-suppressor pair. A single sensor-suppressor pair of feedback probes is desirable to reduce the perturbation caused by the probes. Two plasma instabilities the ExB and the ITG modes, were simultaneously stabilized. A simple 'state' feedback type method was used where more state information was generated from the single sensor Langmuir probe by appropriate signal processing, in this case, by differentiation. This proof-of-principle experiment demonstrated for the first time that by designing a more sophisticated electronic feedback controller, many plasma instabilities may be simultaneously controlled. Simple theoretical models showed generally good agreement with the feedback experimental results. On a parallel research front, a better understanding of the saturated state of a plasma instability was sought partly with the help of feedback. A plasma instability is usually observed in its saturated state and appears as a single feature in the frequency spectrum with a single azimuthal and parallel wavenumbers. The physics of the non-zero spectral width was investigated in detail because the finite spectral width can cause "turbulent" transport. One aspect of the "turbulence" was investigated by obtaining the scaling of the linear growth rate of the instabilities with the fluctuation levels. The linear growth rates were measured with the established gated feedback technique. The research showed that the ExB instability evolves into a quasi-coherent state when the fluctuation level is high. The coherent aspects were studied with a bispectral analysis. Moreover, the single spectral feature was discovered to be actually composed of a few radial harmonics. The radial harmonics play a role in the nonlinear saturation of the instability via three-wave coupling.

Nonlinear dynamic-based analysis of severe dysphonia in patients with vocal fold scar and sulcus vocalis

PubMed Central

Choi, Seong Hee; Zhang, Yu; Jiang, Jack J.; Bless, Diane M.; Welham, Nathan V.

2011-01-01

Objective The primary goal of this study was to evaluate a nonlinear dynamic approach to the acoustic analysis of dysphonia associated with vocal fold scar and sulcus vocalis. Study Design Case-control study. Methods Acoustic voice samples from scar/sulcus patients and age/sex-matched controls were analyzed using correlation dimension (D2) and phase plots, time-domain based perturbation indices (jitter, shimmer, signal-to-noise ratio [SNR]), and an auditory-perceptual rating scheme. Signal typing was performed to identify samples with bifurcations and aperiodicity. Results Type 2 and 3 acoustic signals were highly represented in the scar/sulcus patient group. When data were analyzed irrespective of signal type, all perceptual and acoustic indices successfully distinguished scar/sulcus patients from controls. Removal of type 2 and 3 signals eliminated the previously identified differences between experimental groups for all acoustic indices except D2. The strongest perceptual-acoustic correlation in our dataset was observed for SNR; the weakest correlation was observed for D2. Conclusions These findings suggest that D2 is inferior to time-domain based perturbation measures for the analysis of dysphonia associated with scar/sulcus; however, time-domain based algorithms are inherently susceptible to inflation under highly aperiodic (i.e., type 2 and 3) signal conditions. Auditory-perceptual analysis, unhindered by signal aperiodicity, is therefore a robust strategy for distinguishing scar/sulcus patient voices from normal voices. Future acoustic analysis research in this area should consider alternative (e.g., frequency- and quefrency-domain based) measures alongside additional nonlinear approaches. PMID:22516315

Electronic excitation of molecules in solution calculated using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model

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

Fukuda, Ryoichi, E-mail: fukuda@ims.ac.jp; Ehara, Masahiro; Elements Strategy Initiative for Catalysts and Batteries

2015-12-31

The effects from solvent environment are specific to the electronic states; therefore, a computational scheme for solvent effects consistent with the electronic states is necessary to discuss electronic excitation of molecules in solution. The PCM (polarizable continuum model) SAC (symmetry-adapted cluster) and SAC-CI (configuration interaction) methods are developed for such purposes. The PCM SAC-CI adopts the state-specific (SS) solvation scheme where solvent effects are self-consistently considered for every ground and excited states. For efficient computations of many excited states, we develop a perturbative approximation for the PCM SAC-CI method, which is called corrected linear response (cLR) scheme. Our test calculationsmore » show that the cLR PCM SAC-CI is a very good approximation of the SS PCM SAC-CI method for polar and nonpolar solvents.« less

A hybrid model for computing nonthermal ion distributions in a long mean-free-path plasma

NASA Astrophysics Data System (ADS)

Tang, Xianzhu; McDevitt, Chris; Guo, Zehua; Berk, Herb

2014-10-01

Non-thermal ions, especially the suprathermal ones, are known to make a dominant contribution to a number of important physics such as the fusion reactivity in controlled fusion, the ion heat flux, and in the case of a tokamak, the ion bootstrap current. Evaluating the deviation from a local Maxwellian distribution of these non-thermal ions can be a challenging task in the context of a global plasma fluid model that evolves the plasma density, flow, and temperature. Here we describe a hybrid model for coupling such constrained kinetic calculation to global plasma fluid models. The key ingredient is a non-perturbative treatment of the tail ions where the ion Knudsen number approaches or surpasses order unity. This can be sharply constrasted with the standard Chapman-Enskog approach which relies on a perturbative treatment that is frequently invalidated. The accuracy of our coupling scheme is controlled by the precise criteria for matching the non-perturbative kinetic model to perturbative solutions in both configuration space and velocity space. Although our specific application examples will be drawn from laboratory controlled fusion experiments, the general approach is applicable to space and astrophysical plasmas as well. Work supported by DOE.

Robust Adaptive Synchronization of Ring Configured Uncertain Chaotic FitzHugh–Nagumo Neurons under Direction-Dependent Coupling

PubMed Central

Iqbal, Muhammad; Rehan, Muhammad; Hong, Keum-Shik

2018-01-01

This paper exploits the dynamical modeling, behavior analysis, and synchronization of a network of four different FitzHugh–Nagumo (FHN) neurons with unknown parameters linked in a ring configuration under direction-dependent coupling. The main purpose is to investigate a robust adaptive control law for the synchronization of uncertain and perturbed neurons, communicating in a medium of bidirectional coupling. The neurons are assumed to be different and interconnected in a ring structure. The strength of the gap junctions is taken to be different for each link in the network, owing to the inter-neuronal coupling medium properties. Robust adaptive control mechanism based on Lyapunov stability analysis is employed and theoretical criteria are derived to realize the synchronization of the network of four FHN neurons in a ring form with unknown parameters under direction-dependent coupling and disturbances. The proposed scheme for synchronization of dissimilar neurons, under external electrical stimuli, coupled in a ring communication topology, having all parameters unknown, and subject to directional coupling medium and perturbations, is addressed for the first time as per our knowledge. To demonstrate the efficacy of the proposed strategy, simulation results are provided. PMID:29535622

Elastic pion-nucleon scattering in chiral perturbation theory: A fresh look

NASA Astrophysics Data System (ADS)

Siemens, D.; Bernard, V.; Epelbaum, E.; Gasparyan, A.; Krebs, H.; Meißner, Ulf-G.

2016-07-01

Elastic pion-nucleon scattering is analyzed in the framework of chiral perturbation theory up to fourth order within the heavy-baryon expansion and a covariant approach based on an extended on-mass-shell renormalization scheme. We discuss in detail the renormalization of the various low-energy constants and provide explicit expressions for the relevant β functions and the finite subtractions of the power-counting breaking terms within the covariant formulation. To estimate the theoretical uncertainty from the truncation of the chiral expansion, we employ an approach which has been successfully applied in the most recent analysis of the nuclear forces. This allows us to reliably extract the relevant low-energy constants from the available scattering data at low energy. The obtained results provide clear evidence that the breakdown scale of the chiral expansion for this reaction is related to the Δ resonance. The explicit inclusion of the leading contributions of the Δ isobar is demonstrated to substantially increase the range of applicability of the effective field theory. The resulting predictions for the phase shifts are in an excellent agreement with the predictions from the recent Roy-Steiner-equation analysis of pion-nucleon scattering.

Application of ab initio many-body perturbation theory with Gaussian basis sets to the singlet and triplet excitations of organic molecules

NASA Astrophysics Data System (ADS)

Hamed, Samia; Rangel, Tonatiuh; Bruneval, Fabien; Neaton, Jeffrey B.

Quantitative understanding of charged and neutral excitations of organic molecules is critical in diverse areas of study that include astrophysics and the development of energy technologies that are clean and efficient. The recent use of local basis sets with ab initio many-body perturbation theory in the GW approximation and the Bethe-Saltpeter equation approach (BSE), methods traditionally applied to periodic condensed phases with a plane-wave basis, has opened the door to detailed study of such excitations for molecules, as well as accurate numerical benchmarks. Here, through a series of systematic benchmarks with a Gaussian basis, we report on the extent to which the predictive power and utility of this approach depend critically on interdependent underlying approximations and choices for molecules, including the mean-field starting point (eg optimally-tuned range separated hybrids, pure DFT functionals, and untuned hybrids), the GW scheme, and the Tamm Dancoff approximation. We demonstrate the effects of these choices in the context of Thiels' set while drawing analogies to linear-response time-dependent DFT and making comparisons to best theoretical estimates from higher-order wavefunction-based theories.

Girsanov reweighting for path ensembles and Markov state models

NASA Astrophysics Data System (ADS)

Donati, L.; Hartmann, C.; Keller, B. G.

2017-06-01

The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules. We present a method to obtain path ensemble averages of a perturbed dynamics from a set of paths generated by a reference dynamics. It is based on the concept of path probability measure and the Girsanov theorem, a result from stochastic analysis to estimate a change of measure of a path ensemble. Since Markov state models (MSMs) of the molecular dynamics can be formulated as a combined phase-space and path ensemble average, the method can be extended to reweight MSMs by combining it with a reweighting of the Boltzmann distribution. We demonstrate how to efficiently implement the Girsanov reweighting in a molecular dynamics simulation program by calculating parts of the reweighting factor "on the fly" during the simulation, and we benchmark the method on test systems ranging from a two-dimensional diffusion process and an artificial many-body system to alanine dipeptide and valine dipeptide in implicit and explicit water. The method can be used to study the sensitivity of molecular dynamics on external perturbations as well as to reweight trajectories generated by enhanced sampling schemes to the original dynamics.

Straightening the Hierarchical Staircase for Basis Set Extrapolations: A Low-Cost Approach to High-Accuracy Computational Chemistry

NASA Astrophysics Data System (ADS)

Varandas, António J. C.

2018-04-01

Because the one-electron basis set limit is difficult to reach in correlated post-Hartree-Fock ab initio calculations, the low-cost route of using methods that extrapolate to the estimated basis set limit attracts immediate interest. The situation is somewhat more satisfactory at the Hartree-Fock level because numerical calculation of the energy is often affordable at nearly converged basis set levels. Still, extrapolation schemes for the Hartree-Fock energy are addressed here, although the focus is on the more slowly convergent and computationally demanding correlation energy. Because they are frequently based on the gold-standard coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)], correlated calculations are often affordable only with the smallest basis sets, and hence single-level extrapolations from one raw energy could attain maximum usefulness. This possibility is examined. Whenever possible, this review uses raw data from second-order Møller-Plesset perturbation theory, as well as CCSD, CCSD(T), and multireference configuration interaction methods. Inescapably, the emphasis is on work done by the author's research group. Certain issues in need of further research or review are pinpointed.

Finite time convergent learning law for continuous neural networks.

PubMed

Chairez, Isaac

2014-02-01

This paper addresses the design of a discontinuous finite time convergent learning law for neural networks with continuous dynamics. The neural network was used here to obtain a non-parametric model for uncertain systems described by a set of ordinary differential equations. The source of uncertainties was the presence of some external perturbations and poor knowledge of the nonlinear function describing the system dynamics. A new adaptive algorithm based on discontinuous algorithms was used to adjust the weights of the neural network. The adaptive algorithm was derived by means of a non-standard Lyapunov function that is lower semi-continuous and differentiable in almost the whole space. A compensator term was included in the identifier to reject some specific perturbations using a nonlinear robust algorithm. Two numerical examples demonstrated the improvements achieved by the learning algorithm introduced in this paper compared to classical schemes with continuous learning methods. The first one dealt with a benchmark problem used in the paper to explain how the discontinuous learning law works. The second one used the methane production model to show the benefits in engineering applications of the learning law proposed in this paper. Copyright © 2013 Elsevier Ltd. All rights reserved.

Hybrid control of the Neimark-Sacker bifurcation in a delayed Nicholson's blowflies equation.

PubMed

Wang, Yuanyuan; Wang, Lisha

In this article, for delayed Nicholson's blowflies equation, we propose a hybrid control nonstandard finite-difference (NSFD) scheme in which state feedback and parameter perturbation are used to control the Neimark-Sacker bifurcation. Firstly, the local stability of the positive equilibria for hybrid control delay differential equation is discussed according to Hopf bifurcation theory. Then, for any step-size, a hybrid control numerical algorithm is introduced to generate the Neimark-Sacker bifurcation at a desired point. Finally, numerical simulation results confirm that the control strategy is efficient in controlling the Neimark-Sacker bifurcation. At the same time, the results show that the NSFD control scheme is better than the Euler control method.

Lattice-Assisted Spectroscopy: A Generalized Scanning Tunneling Microscope for Ultracold Atoms.

PubMed

Kantian, A; Schollwöck, U; Giamarchi, T

2015-10-16

We propose a scheme to measure the frequency-resolved local particle and hole spectra of any optical lattice-confined system of correlated ultracold atoms that offers single-site addressing and imaging, which is now an experimental reality. Combining perturbation theory and time-dependent density matrix renormalization group simulations, we quantitatively test and validate this approach of lattice-assisted spectroscopy on several one-dimensional example systems, such as the superfluid and Mott insulator, with and without a parabolic trap, and finally on edge states of the bosonic Su-Schrieffer-Heeger model. We highlight extensions of our basic scheme to obtain an even wider variety of interesting and important frequency resolved spectra.

A guidance law for hypersonic descent to a point

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

Eisler, G.R.; Hull, D.G.

1992-05-01

A neighboring external control problem is formulated for a hypersonic glider to execute a maximum-terminal-velocity descent to a stationary target. The resulting two-part, feedback control scheme initially solves a nonlinear algebraic problem to generate a nominal trajectory to the target altitude. Secondly, a neighboring optimal path computation about the nominal provides a lift and side-force perturbations necessary to achieve the target downrange and crossrange. On-line feedback simulations of the proposed scheme and a form of proportional navigation are compared with an off-line parameter optimization method. The neighboring optimal terminal velocity compares very well with the parameter optimization solution and ismore » far superior to proportional navigation. 8 refs.« less

A guidance law for hypersonic descent to a point

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

Eisler, G.R.; Hull, D.G.

1992-01-01

A neighboring external control problem is formulated for a hypersonic glider to execute a maximum-terminal-velocity descent to a stationary target. The resulting two-part, feedback control scheme initially solves a nonlinear algebraic problem to generate a nominal trajectory to the target altitude. Secondly, a neighboring optimal path computation about the nominal provides a lift and side-force perturbations necessary to achieve the target downrange and crossrange. On-line feedback simulations of the proposed scheme and a form of proportional navigation are compared with an off-line parameter optimization method. The neighboring optimal terminal velocity compares very well with the parameter optimization solution and ismore » far superior to proportional navigation. 8 refs.« less

Influence of surface roughness and waviness on film thickness and pressure distribution in elastohydrodynamic contacts

NASA Technical Reports Server (NTRS)

Chow, L. S. H.; Cheng, H. S.

1976-01-01

The Christensen theory of a stochastic model for hydrodynamic lubrication of rough surfaces was extended to elastohydrodynamic lubrication between two rollers. Solutions for the reduced pressure at the entrance as a function of the ratio of the average nominal film thickness to the rms surface roughness, were obtained numerically. Results were obtained for purely transverse as well as purely longitudinal surface roughness for cases with or without slip. The reduced pressure was shown to decrease slightly by considering longitudinal surface roughness. The same approach was used to study the effect of surface roughness on lubrication between rigid rollers and lubrication of an infinitely wide slider bearing. Using the flow balance concept, the perturbed Reynolds equation, was derived and solved for the perturbed pressure distribution. In addition, Cheng's numerical scheme was modified to incorporate a single two-dimensional elastic asperity on the stationary surface. The perturbed pressures obtained by these three different models were compared.

Analytical study of acoustically perturbed Brillouin active magnetized semiconductor plasma

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

Shukla, Arun, E-mail: arunshuklaujn@gmail.com; Jat, K. L.

2015-07-31

An analytical study of acoustically perturbed Brillouin active magnetized semiconductor plasma has been reported. In the present analytical investigation, the lattice displacement, acousto-optical polarization, susceptibility, acousto-optical gain constant arising due to the induced nonlinear current density and acousto-optical process are deduced in an acoustically perturbed Brillouin active magnetized semiconductor plasma using the hydrodynamical model of plasma and coupled mode scheme. The influence of wave number and magnetic field has been explored. The analysis has been applied to centrosymmetric crystal. Numerical estimates are made for n-type InSb crystal duly irradiated by a frequency doubled 10.6 µm CO{sub 2} laser. It is foundmore » that lattice displacement, susceptibility and acousto-optical gain increase linearly with incident wave number and applied dc magnetic field, while decrease with scattering angle. The gain also increases with electric amplitude of incident laser beam. Results are found to be well in agreement with available literature.« less

Perturbation solutions for flow through symmetrical hoppers with inserts and asymmetrical wedge hoppers

NASA Astrophysics Data System (ADS)

Cox, G. M.; Mccue, S. W.; Thamwattana, N.; Hill, J. M.

Under certain circumstances, an industrial hopper which operates under the "funnel-flow" regime can be converted to the "mass-flow" regime with the addition of a flow-corrective insert. This paper is concerned with calculating granular flow patterns near the outlet of hoppers that incorporate a particular type of insert, the cone-in-cone insert. The flow is considered to be quasi-static, and governed by the Coulomb-Mohr yield condition together with the non-dilatant double-shearing theory. In two-dimensions, the hoppers are wedge-shaped, and as such the formulation for the wedge-in-wedge hopper also includes the case of asymmetrical hoppers. A perturbation approach, valid for high angles of internal friction, is used for both two-dimensional and axially symmetric flows, with analytic results possible for both leading order and correction terms. This perturbation scheme is compared with numerical solutions to the governing equations, and is shown to work very well for angles of internal friction in excess of 45°.

A mesoscale hybrid data assimilation system based on the JMA nonhydrostatic model

NASA Astrophysics Data System (ADS)

Ito, K.; Kunii, M.; Kawabata, T. T.; Saito, K. K.; Duc, L. L.

2015-12-01

This work evaluates the potential of a hybrid ensemble Kalman filter and four-dimensional variational (4D-Var) data assimilation system for predicting severe weather events from a deterministic point of view. This hybrid system is an adjoint-based 4D-Var system using a background error covariance matrix constructed from the mixture of a so-called NMC method and perturbations in a local ensemble transform Kalman filter data assimilation system, both of which are based on the Japan Meteorological Agency nonhydrostatic model. To construct the background error covariance matrix, we investigated two types of schemes. One is a spatial localization scheme and the other is neighboring ensemble approach, which regards the result at a horizontally spatially shifted point in each ensemble member as that obtained from a different realization of ensemble simulation. An assimilation of a pseudo single-observation located to the north of a tropical cyclone (TC) yielded an analysis increment of wind and temperature physically consistent with what is expected for a mature TC in both hybrid systems, whereas an analysis increment in a 4D-Var system using a static background error covariance distorted a structure of the mature TC. Real data assimilation experiments applied to 4 TCs and 3 local heavy rainfall events showed that hybrid systems and EnKF provided better initial conditions than the NMC-based 4D-Var, both for predicting the intensity and track forecast of TCs and for the location and amount of local heavy rainfall events.

Detection of proteins and bacteria using an array of feedback capacitance sensors.

PubMed

Mehta, Manav; Hanumanthaiah, Chandra Sekar; Betala, Pravin Ajitkumar; Zhang, Hong; Roh, SaeWeon; Buttner, William; Penrose, William R; Stetter, Joseph R; Pérez-Luna, Victor H

2007-12-15

An integrated array of micron-dimension capacitors, originally developed for biometric applications (fingerprint identification), was engineered for detection of biological agents such as proteins and bacteria. This device consists of an array of 93,184 (256 x 364) individual capacitor-based sensing elements located underneath a thin (0.8 microm) layer of glass. This glass layer can be functionalized with organosilane-based monolayers to provide groups amenable for the immobilization of bioreceptors such as antibodies, enzymes, peptides, aptamers, and nucleotides. Upon functionalization with antibodies and in conjunction with signal amplification schemes that result in perturbation of the dielectric constant around the captured antigens, this system can be used as a detector of biological agents. Two signal amplification schemes were tested in this work: one consisted of 4 microm diameter latex immunobeads and a second one was based on colloidal gold catalyzed reduction of silver. These signal amplification approaches were demonstrated and show that this system is capable of specific detection of bacteria (Escherichia coli) and proteins (ovalbumin). The present work shows proof-of-principle demonstration that a simple fingerprint detector based on feedback capacitance measurements can be implemented as a biosensor. The approach presented could be easily expanded to simultaneously test for a large number of analytes and multiple samples given that this device has a large number of detectors. The device and required instrumentation is highly portable and does not require expensive and bulky instrumentation because it relies purely on electronic detection.

Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

NASA Astrophysics Data System (ADS)

Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

2018-06-01

A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

The generalized scheme-independent Crewther relation in QCD

DOE PAGES

Shen, Jian-Ming; Wu, Xing-Gang; Ma, Yang; ...

2017-05-10

The Principle of Maximal Conformality (PMC) provides a systematic way to set the renormalization scales order-by-order for any perturbative QCD calculable processes. The resulting predictions are independent of the choice of renormalization scheme, a requirement of renormalization group invariance. The Crewther relation, which was originally derived as a consequence of conformally invariant field theory, provides a remarkable connection between two observables when the β function vanishes: one can show that the product of the Bjorken sum rule for spin-dependent deep inelastic lepton–nucleon scattering times the Adler function, defined from the cross section for electron–positron annihilation into hadrons, has no pQCD radiative corrections. The “Generalized Crewther Relation” relates these two observables for physical QCD with nonzero β function; specifically, it connects the non-singlet Adler function (D ns) to the Bjorken sum rule coefficient for polarized deep-inelastic electron scattering (C Bjp) at leading twist. A scheme-dependent Δ CSB-term appears in the analysis in order to compensate for the conformal symmetry breaking (CSB) terms from perturbative QCD. In conventional analyses, this normally leads to unphysical dependence in both the choice of the renormalization scheme and the choice of the initial scale at any finite order. However, by applying PMC scale-setting, we can fix the scales of the QCD coupling unambiguously at every order of pQCD. The result is that both D ns and the inverse coefficient Cmore » $$-1\\atop{Bjp}$$ have identical pQCD coefficients, which also exactly match the coefficients of the corresponding conformal theory. Thus one obtains a new generalized Crewther relation for QCD which connects two effective charges, $$\\hat{α}$$ d(Q)=Σ i≥1$$\\hat{α}^i\\atop{g1}$$(Qi), at their respective physical scales. This identity is independent of the choice of the renormalization scheme at any finite order, and the dependence on the choice of the initial scale is negligible. Lastly, similar scale-fixed commensurate scale relations also connect other physical observables at their physical momentum scales, thus providing convention-independent, fundamental precision tests of QCD.« less

The generalized scheme-independent Crewther relation in QCD

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

Shen, Jian-Ming; Wu, Xing-Gang; Ma, Yang

The Principle of Maximal Conformality (PMC) provides a systematic way to set the renormalization scales order-by-order for any perturbative QCD calculable processes. The resulting predictions are independent of the choice of renormalization scheme, a requirement of renormalization group invariance. The Crewther relation, which was originally derived as a consequence of conformally invariant field theory, provides a remarkable connection between two observables when the β function vanishes: one can show that the product of the Bjorken sum rule for spin-dependent deep inelastic lepton–nucleon scattering times the Adler function, defined from the cross section for electron–positron annihilation into hadrons, has no pQCD radiative corrections. The “Generalized Crewther Relation” relates these two observables for physical QCD with nonzero β function; specifically, it connects the non-singlet Adler function (D ns) to the Bjorken sum rule coefficient for polarized deep-inelastic electron scattering (C Bjp) at leading twist. A scheme-dependent Δ CSB-term appears in the analysis in order to compensate for the conformal symmetry breaking (CSB) terms from perturbative QCD. In conventional analyses, this normally leads to unphysical dependence in both the choice of the renormalization scheme and the choice of the initial scale at any finite order. However, by applying PMC scale-setting, we can fix the scales of the QCD coupling unambiguously at every order of pQCD. The result is that both D ns and the inverse coefficient Cmore » $$-1\\atop{Bjp}$$ have identical pQCD coefficients, which also exactly match the coefficients of the corresponding conformal theory. Thus one obtains a new generalized Crewther relation for QCD which connects two effective charges, $$\\hat{α}$$ d(Q)=Σ i≥1$$\\hat{α}^i\\atop{g1}$$(Qi), at their respective physical scales. This identity is independent of the choice of the renormalization scheme at any finite order, and the dependence on the choice of the initial scale is negligible. Lastly, similar scale-fixed commensurate scale relations also connect other physical observables at their physical momentum scales, thus providing convention-independent, fundamental precision tests of QCD.« less

CellCognition: time-resolved phenotype annotation in high-throughput live cell imaging.

PubMed

Held, Michael; Schmitz, Michael H A; Fischer, Bernd; Walter, Thomas; Neumann, Beate; Olma, Michael H; Peter, Matthias; Ellenberg, Jan; Gerlich, Daniel W

2010-09-01

Fluorescence time-lapse imaging has become a powerful tool to investigate complex dynamic processes such as cell division or intracellular trafficking. Automated microscopes generate time-resolved imaging data at high throughput, yet tools for quantification of large-scale movie data are largely missing. Here we present CellCognition, a computational framework to annotate complex cellular dynamics. We developed a machine-learning method that combines state-of-the-art classification with hidden Markov modeling for annotation of the progression through morphologically distinct biological states. Incorporation of time information into the annotation scheme was essential to suppress classification noise at state transitions and confusion between different functional states with similar morphology. We demonstrate generic applicability in different assays and perturbation conditions, including a candidate-based RNA interference screen for regulators of mitotic exit in human cells. CellCognition is published as open source software, enabling live-cell imaging-based screening with assays that directly score cellular dynamics.

A new improved artificial bee colony algorithm for ship hull form optimization

NASA Astrophysics Data System (ADS)

Huang, Fuxin; Wang, Lijue; Yang, Chi

2016-04-01

The artificial bee colony (ABC) algorithm is a relatively new swarm intelligence-based optimization algorithm. Its simplicity of implementation, relatively few parameter settings and promising optimization capability make it widely used in different fields. However, it has problems of slow convergence due to its solution search equation. Here, a new solution search equation based on a combination of the elite solution pool and the block perturbation scheme is proposed to improve the performance of the algorithm. In addition, two different solution search equations are used by employed bees and onlooker bees to balance the exploration and exploitation of the algorithm. The developed algorithm is validated by a set of well-known numerical benchmark functions. It is then applied to optimize two ship hull forms with minimum resistance. The tested results show that the proposed new improved ABC algorithm can outperform the ABC algorithm in most of the tested problems.

A New Stochastic Technique for Painlevé Equation-I Using Neural Network Optimized with Swarm Intelligence

PubMed Central

Raja, Muhammad Asif Zahoor; Khan, Junaid Ali; Ahmad, Siraj-ul-Islam; Qureshi, Ijaz Mansoor

2012-01-01

A methodology for solution of Painlevé equation-I is presented using computational intelligence technique based on neural networks and particle swarm optimization hybridized with active set algorithm. The mathematical model of the equation is developed with the help of linear combination of feed-forward artificial neural networks that define the unsupervised error of the model. This error is minimized subject to the availability of appropriate weights of the networks. The learning of the weights is carried out using particle swarm optimization algorithm used as a tool for viable global search method, hybridized with active set algorithm for rapid local convergence. The accuracy, convergence rate, and computational complexity of the scheme are analyzed based on large number of independents runs and their comprehensive statistical analysis. The comparative studies of the results obtained are made with MATHEMATICA solutions, as well as, with variational iteration method and homotopy perturbation method. PMID:22919371

On One Possible Generalization of the Regression Theorem

NASA Astrophysics Data System (ADS)

Bogolubov, N. N.; Soldatov, A. V.

2018-03-01

A general approach to derivation of formally exact closed time-local or time-nonlocal evolution equations for non-equilibrium multi-time correlations functions made of observables of an open quantum system interacting simultaneously with external time-dependent classical fields and dissipative environment is discussed. The approach allows for the subsequent treatment of these equations within a perturbative scheme assuming that the system-environment interaction is weak.

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

NASA Astrophysics Data System (ADS)

Kjærgaard, Thomas; Baudin, Pablo; Bykov, Dmytro; Eriksen, Janus Juul; Ettenhuber, Patrick; Kristensen, Kasper; Larkin, Jeff; Liakh, Dmitry; Pawłowski, Filip; Vose, Aaron; Wang, Yang Min; Jørgensen, Poul

2017-03-01

We present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide-Expand-Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide-Expand-Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalability of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the "resolution of the identity second-order Møller-Plesset perturbation theory" (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.

QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines

NASA Astrophysics Data System (ADS)

Hagiwara, Yohsuke; Ohta, Takehiro; Tateno, Masaru

2009-02-01

An interface program connecting a quantum mechanics (QM) calculation engine, GAMESS, and a molecular mechanics (MM) calculation engine, AMBER, has been developed for QM/MM hybrid calculations. A protein-DNA complex is used as a test system to investigate the following two types of QM/MM schemes. In a 'subtractive' scheme, electrostatic interactions between QM/MM regions are truncated in QM calculations; in an 'additive' scheme, long-range electrostatic interactions within a cut-off distance from QM regions are introduced into one-electron integration terms of a QM Hamiltonian. In these calculations, 338 atoms are assigned as QM atoms using Hartree-Fock (HF)/density functional theory (DFT) hybrid all-electron calculations. By comparing the results of the additive and subtractive schemes, it is found that electronic structures are perturbed significantly by the introduction of MM partial charges surrounding QM regions, suggesting that biological processes occurring in functional sites are modulated by the surrounding structures. This also indicates that the effects of long-range electrostatic interactions involved in the QM Hamiltonian are crucial for accurate descriptions of electronic structures of biological macromolecules.

DNS of Supersonic Turbulent Flows in a DLR Scramjet Intake

NASA Astrophysics Data System (ADS)

Li, Xinliang; Yu, Changping

2014-11-01

Direct numerical simulation (DNS) of supersonic/hypersonic flow through a DLR scramjet intake GK01 is performed. The free stream Mach numbers are 3, 5 and 7, and the angle of attack is zero degree. The DNS cases are performed by using an optimized MP scheme with adaptive dissipation (OMP-AD) developed by the authors, and the blow-and-suction perturbations near the leading edge are used to trigger the transition. To stabilize the simulation, locally non-linear flittering is used in high-Mach-number case. The transition, separation, and shock-turbulent boundary layer interaction are studied by using both flow visualization and statistical analysis. A new method, OMP-AD, is also addressed in this paper. The OMP-AD scheme is developed by using joint MP method and optimized technique, and the coefficients in the scheme are flexible to show low dissipation in the smoothing region, and to show high robust (but high dissipation) in the large gradient region. Numerical tests show that the OMP-AD is more robust than the original MP schemes, and the numerical dissipation of OMP-AD is very low.

Neural network-based sliding mode control for atmospheric-actuated spacecraft formation using switching strategy

NASA Astrophysics Data System (ADS)

Sun, Ran; Wang, Jihe; Zhang, Dexin; Shao, Xiaowei

2018-02-01

This paper presents an adaptive neural networks-based control method for spacecraft formation with coupled translational and rotational dynamics using only aerodynamic forces. It is assumed that each spacecraft is equipped with several large flat plates. A coupled orbit-attitude dynamic model is considered based on the specific configuration of atmospheric-based actuators. For this model, a neural network-based adaptive sliding mode controller is implemented, accounting for system uncertainties and external perturbations. To avoid invalidation of the neural networks destroying stability of the system, a switching control strategy is proposed which combines an adaptive neural networks controller dominating in its active region and an adaptive sliding mode controller outside the neural active region. An optimal process is developed to determine the control commands for the plates system. The stability of the closed-loop system is proved by a Lyapunov-based method. Comparative results through numerical simulations illustrate the effectiveness of executing attitude control while maintaining the relative motion, and higher control accuracy can be achieved by using the proposed neural-based switching control scheme than using only adaptive sliding mode controller.

Anticipatory postural adjustments and anticipatory synergy adjustments: Preparing to a postural perturbation with predictable and unpredictable direction

PubMed Central

Piscitelli, Daniele; Falaki, Ali; Solnik, Stanislaw; Latash, Mark L.

2016-01-01

We explored two aspects of feed-forward postural control, anticipatory postural adjustments (APAs) and anticipatory synergy adjustments (ASAs) seen prior to self-triggered unloading with known and unknown direction of the perturbation. In particular, we tested two main hypotheses predicting contrasting changes in APAs and ASAs. The first hypothesis predicted no major changes in ASAs. The second hypothesis predicted delayed APAs with predominance of co-contraction patterns when perturbation direction was unknown. Healthy subjects stood on the force plate and help a bar with two loads acting in the forward and backward directions. They pressed a trigger that released one of the loads causing a postural perturbation. In different series, the direction of the perturbation was either known (the same load released in all trials) or unknown (the subjects did not know which of the two loads would be released). Surface electromyograms were recorded and used to quantify APAs, synergies stabilizing center of pressure coordinate (within the uncontrolled manifold hypothesis), and ASA. APAs and ASAs were seen in all conditions. APAs were delayed and predominance of co-contraction patterns was seen under the conditions with unpredictable direction of perturbation. In contrast, no significant changes in synergies and ASAs were seen. Overall, these results show that feed-forward control of vertical posture has two distinct components, reflected in APAs and ASAs, which show qualitatively different adjustments with changes in predictability of the direction of perturbation. These results are interpreted within the recently proposed hierarchical scheme of the synergic control of motor tasks. The observations underscore the complexity of the feed-forward postural control, which involves separate changes in salient performance variables (such as coordinate of the center of pressure) and in their stability properties. PMID:27866261

Anticipatory postural adjustments and anticipatory synergy adjustments: preparing to a postural perturbation with predictable and unpredictable direction.

PubMed

Piscitelli, Daniele; Falaki, Ali; Solnik, Stanislaw; Latash, Mark L

2017-03-01

We explored two aspects of feed-forward postural control, anticipatory postural adjustments (APAs) and anticipatory synergy adjustments (ASAs) seen prior to self-triggered unloading with known and unknown direction of the perturbation. In particular, we tested two main hypotheses predicting contrasting changes in APAs and ASAs. The first hypothesis predicted no major changes in ASAs. The second hypothesis predicted delayed APAs with predominance of co-contraction patterns when perturbation direction was unknown. Healthy subjects stood on the force plate and held a bar with two loads acting in the forward and backward directions. They pressed a trigger that released one of the loads causing a postural perturbation. In different series, the direction of the perturbation was either known (the same load released in all trials) or unknown (the subjects did not know which of the two loads would be released). Surface electromyograms were recorded and used to quantify APAs, synergies stabilizing center of pressure coordinate (within the uncontrolled manifold hypothesis), and ASA. APAs and ASAs were seen in all conditions. APAs were delayed, and predominance of co-contraction patterns was seen under the conditions with unpredictable direction of perturbation. In contrast, no significant changes in synergies and ASAs were seen. Overall, these results show that feed-forward control of vertical posture has two distinct components, reflected in APAs and ASAs, which show qualitatively different adjustments with changes in predictability of the direction of perturbation. These results are interpreted within the recently proposed hierarchical scheme of the synergic control of motor tasks. The observations underscore the complexity of the feed-forward postural control, which involves separate changes in salient performance variables (such as coordinate of the center of pressure) and in their stability properties.

Adiabatic perturbation theory for atoms and molecules in the low-frequency regime

NASA Astrophysics Data System (ADS)

Martiskainen, Hanna; Moiseyev, Nimrod

2017-12-01

There is an increasing interest in the photoinduced dynamics in the low frequency, ω, regime. The multiphoton absorptions by molecules in strong laser fields depend on the polarization of the laser and on the molecular structure. The unique properties of the interaction of atoms and molecules with lasers in the low-frequency regime imply new concepts and directions in strong-field light-matter interactions. Here we represent a perturbational approach for the calculations of the quasi-energy spectrum in the low-frequency regime, which avoids the construction of the Floquet operator with extremely large number of Floquet channels. The zero-order Hamiltonian in our perturbational approach is the adiabatic Hamiltonian where the atoms/molecules are exposed to a dc electric field rather than to ac-field. This is in the spirit of the first step in the Corkum three-step model. The second-order perturbation correction terms are obtained when i ℏ ω ∂/∂ τ serves as a perturbation and τ is a dimensionless variable. The second-order adiabatic perturbation scheme is found to be an excellent approach for calculating the ac-field Floquet solutions in our test case studies of a simple one-dimensional time-periodic model Hamiltonian. It is straightforward to implement the perturbation approach presented here for calculating atomic and molecular energy shifts (positions) due to the interaction with low-frequency ac-fields using high-level electronic structure methods. This is enabled since standard quantum chemistry packages allow the calculations of atomic and molecular energy shifts due to the interaction with dc-fields. In addition to the shift of the energy positions, the energy widths (inverse lifetimes) can be obtained at the same level of theory. These energy shifts are functions of the laser parameters (low frequency, intensity, and polarization).

SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

NASA Astrophysics Data System (ADS)

Guo, Yang; Sivalingam, Kantharuban; Valeev, Edward F.; Neese, Frank

2016-03-01

Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling "partially contracted" NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient "electron pair prescreening" that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed comparison between the partial and strong contraction schemes is made, with conclusions that discourage the strong contraction scheme as a basis for local correlation methods due to its non-invariance with respect to rotations in the inactive and external subspaces. A minimal set of conservatively chosen truncation thresholds controls the accuracy of the method. With the default thresholds, about 99.9% of the canonical partially contracted NEVPT2 correlation energy is recovered while the crossover of the computational cost with the already very efficient canonical method occurs reasonably early; in linear chain type compounds at a chain length of around 80 atoms. Calculations are reported for systems with more than 300 atoms and 5400 basis functions.

Comparison of dynamical approximation schemes for non-linear gravitational clustering

NASA Technical Reports Server (NTRS)

Melott, Adrian L.

1994-01-01

We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of approximation by truncation, i.e., smoothing the initial conditions by various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was crosscorrelation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(exp 2, sub G)) where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. All other schemes, including those proposed as generalizations of the Zel'dovich approximation created by adding forces, were in fact generally worse by this measure. By explicitly checking, we verified that the success of our best-choice was a result of the best treatment of the phases of nonlinear Fourier components. Of all schemes tested, the adhesion approximation produced the most accurate nonlinear power spectrum and density distribution, but its phase errors suggest mass condensations were moved to slightly the wrong location. Due to its better reproduction of the mass density distribution function and power spectrum, it might be preferred for some uses. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even when subcondensations are present.

Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory

NASA Astrophysics Data System (ADS)

Datta, Dipayan; Kossmann, Simone; Neese, Frank

2016-09-01

The domain-based local pair-natural orbital coupled-cluster (DLPNO-CC) theory has recently emerged as an efficient and powerful quantum-chemical method for the calculation of energies of molecules comprised of several hundred atoms. It has been demonstrated that the DLPNO-CC approach attains the accuracy of a standard canonical coupled-cluster calculation to about 99.9% of the basis set correlation energy while realizing linear scaling of the computational cost with respect to system size. This is achieved by combining (a) localized occupied orbitals, (b) large virtual orbital correlation domains spanned by the projected atomic orbitals (PAOs), and (c) compaction of the virtual space through a truncated pair natural orbital (PNO) basis. In this paper, we report on the implementation of an analytic scheme for the calculation of the first derivatives of the DLPNO-CC energy for basis set independent perturbations within the singles and doubles approximation (DLPNO-CCSD) for closed-shell molecules. Perturbation-independent one-particle density matrices have been implemented in order to account for the response of the CC wave function to the external perturbation. Orbital-relaxation effects due to external perturbation are not taken into account in the current implementation. We investigate in detail the dependence of the computed first-order electrical properties (e.g., dipole moment) on the three major truncation parameters used in a DLPNO-CC calculation, namely, the natural orbital occupation number cutoff used for the construction of the PNOs, the weak electron-pair cutoff, and the domain size cutoff. No additional truncation parameter has been introduced for property calculation. We present benchmark calculations on dipole moments for a set of 10 molecules consisting of 20-40 atoms. We demonstrate that 98%-99% accuracy relative to the canonical CCSD results can be consistently achieved in these calculations. However, this comes with the price of tightening the threshold for the natural orbital occupation number cutoff by an order of magnitude compared to the DLPNO-CCSD energy calculations.

Constraining Aerosol-Cloud-Precipitation Interactions of Orographic Mixed-Phase Clouds with Trajectory Budgets

NASA Astrophysics Data System (ADS)

Glassmeier, F.; Lohmann, U.

2016-12-01

Orographic precipitation is prone to strong aerosol-cloud-precipitation interactions because the time for precipitation development is limited to the ascending section of mountain flow. At the same time, cloud microphysical development is constraint by the strong dynamical forcing of the orography. In this contribution, we discuss how changes in the amount and composition of droplet- and ice-forming aerosols influence precipitation in idealized simulations of stratiform orographic mixed-phase clouds. We find that aerosol perturbations trigger compensating responses of different precipitation formation pathways. The effect of aerosols is thus buffered. We explain this buffering by the requirement to fulfill aerosol-independent dynamical constraints. For our simulations, we use the regional atmospheric model COSMO-ART-M7 in a 2D setup with a bell-shaped mountain. The model is coupled to a 2-moment warm and cold cloud microphysics scheme. Activation and freezing rates are parameterized based on prescribed aerosol fields that are varied in number, size and composition. Our analysis is based on the budget of droplet water along trajectories of cloud parcels. The budget equates condensation as source term with precipitation formation from autoconversion, accretion, riming and the Wegener-Bergeron-Findeisen process as sink terms. Condensation, and consequently precipitation formation, is determined by dynamics and largely independent of the aerosol conditions. An aerosol-induced change in the number of droplets or crystals perturbs the droplet budget by affecting precipitation formation processes. We observe that this perturbation triggers adjustments in liquid and ice water content that re-equilibrate the budget. As an example, an increase in crystal number triggers a stronger glaciation of the cloud and redistributes precipitation formation from collision-coalescence to riming and from riming to vapor deposition. We theoretically confirm the dominant effect of water content adjustments over number changes by estimating susceptibilities d ln P / d ln N of precipitation formation P to droplet or crystal number N from the budget equation. The susceptibility analysis also reveals that aerosol perturbations to droplet and crystal number compensate each other.

Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

PubMed

Pastore, Mariachiara; Helal, Wissam; Evangelisti, Stefano; Leininger, Thierry; Malrieu, Jean-Paul; Maynau, Daniel; Angeli, Celestino; Cimiraglia, Renzo

2008-05-07

In this paper, the problem of the calculation of the electronic structure of mixed-valence compounds is addressed in the frame of multireference perturbation theory (MRPT). Using a simple mixed-valence compound (the 5,5(') (4H,4H('))-spirobi[ciclopenta[c]pyrrole] 2,2('),6,6(') tetrahydro cation), and the n-electron valence state perturbation theory (NEVPT2) and CASPT2 approaches, it is shown that the ground state (GS) energy curve presents an unphysical "well" for nuclear coordinates close to the symmetric case, where a maximum is expected. For NEVPT, the correct shape of the energy curve is retrieved by applying the MPRT at the (computationally expensive) third order. This behavior is rationalized using a simple model (the ionized GS of two weakly interacting identical systems, each neutral system being described by two electrons in two orbitals), showing that the unphysical well is due to the canonical orbital energies which at the symmetric (delocalized) conformation lead to a sudden modification of the denominators in the perturbation expansion. In this model, the bias introduced in the second order correction to the energy is almost entirely removed going to the third order. With the results of the model in mind, one can predict that all MRPT methods in which the zero order Hamiltonian is based on canonical orbital energies are prone to present unreasonable energy profiles close to the symmetric situation. However, the model allows a strategy to be devised which can give a correct behavior even at the second order, by simply averaging the orbital energies of the two charge-localized electronic states. Such a strategy is adopted in a NEVPT2 scheme obtaining a good agreement with the third order results based on the canonical orbital energies. The answer to the question reported in the title (is this theoretical approach a reliable tool for a correct description of these systems?) is therefore positive, but care must be exercised, either in defining the orbital energies or by resorting to the third order using for them the standard definition.

Large-scale structure in brane-induced gravity. I. Perturbation theory

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

Scoccimarro, Roman

2009-11-15

We study the growth of subhorizon perturbations in brane-induced gravity using perturbation theory. We solve for the linear evolution of perturbations taking advantage of the symmetry under gauge transformations along the extra-dimension to decouple the bulk equations in the quasistatic approximation, which we argue may be a better approximation at large scales than thought before. We then study the nonlinearities in the bulk and brane equations, concentrating on the workings of the Vainshtein mechanism by which the theory becomes general relativity (GR) at small scales. We show that at the level of the power spectrum, to a good approximation, themore » effect of nonlinearities in the modified gravity sector may be absorbed into a renormalization of the gravitational constant. Since the relation between the lensing potential and density perturbations is entirely unaffected by the extra physics in these theories, the modified gravity can be described in this approximation by a single function, an effective gravitational constant for nonrelativistic motion that depends on space and time. We develop a resummation scheme to calculate it, and provide predictions for the nonlinear power spectrum. At the level of the large-scale bispectrum, the leading order corrections are obtained by standard perturbation theory techniques, and show that the suppression of the brane-bending mode leads to characteristic signatures in the non-Gaussianity generated by gravity, generic to models that become GR at small scales through second-derivative interactions. We compare the predictions in this work to numerical simulations in a companion paper.« less

TTLEM - an implicit-explicit (IMEX) scheme for modelling landscape evolution in MATLAB

NASA Astrophysics Data System (ADS)

Campforts, Benjamin; Schwanghart, Wolfgang

2016-04-01

Landscape evolution models (LEM) are essential to unravel interdependent earth surface processes. They are proven very useful to bridge several temporal and spatial timescales and have been successfully used to integrate existing empirical datasets. There is a growing consensus that landscapes evolve at least as much in the horizontal as in the vertical direction urging for an efficient implementation of dynamic drainage networks. Here we present a spatially explicit LEM, which is based on the object-oriented function library TopoToolbox 2 (Schwanghart and Scherler, 2014). Similar to other LEMs, rivers are considered to be the main drivers for simulated landscape evolution as they transmit pulses of tectonic perturbations and set the base level of surrounding hillslopes. Highly performant graph algorithms facilitate efficient updates of the flow directions to account for planform changes in the river network and the calculation of flow-related terrain attributes. We implement the model using an implicit-explicit (IMEX) scheme, i.e. different integrators are used for different terms in the diffusion-incision equation. While linear diffusion is solved using an implicit scheme, we calculate incision explicitly. Contrary to previously published LEMS, however, river incision is solved using a total volume method which is total variation diminishing in order to prevent numerical diffusion when solving the stream power law (Campforts and Govers, 2015). We show that the use of this updated numerical scheme alters both landscape topography and catchment wide erosion rates at a geological time scale. Finally, the availability of a graphical user interface facilitates user interaction, making the tool very useful both for research and didactical purposes. References Campforts, B., Govers, G., 2015. Keeping the edge: A numerical method that avoids knickpoint smearing when solving the stream power law. J. Geophys. Res. Earth Surf. 120, 1189-1205. doi:10.1002/2014JF003376 Schwanghart, W., Scherler, D., 2014. TopoToolbox 2 - MATLAB-based software for topographic analysis and modeling in Earth surface sciences. Earth Surf. Dyn. 2, 1-7. doi:10.5194/esurf-2-1-2014

Finite time step and spatial grid effects in δf simulation of warm plasmas

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

Sturdevant, Benjamin J., E-mail: benjamin.j.sturdevant@gmail.com; Department of Applied Mathematics, University of Colorado at Boulder, Boulder, CO 80309; Parker, Scott E.

2016-01-15

This paper introduces a technique for analyzing time integration methods used with the particle weight equations in δf method particle-in-cell (PIC) schemes. The analysis applies to the simulation of warm, uniform, periodic or infinite plasmas in the linear regime and considers the collective behavior similar to the analysis performed by Langdon for full-f PIC schemes [1,2]. We perform both a time integration analysis and spatial grid analysis for a kinetic ion, adiabatic electron model of ion acoustic waves. An implicit time integration scheme is studied in detail for δf simulations using our weight equation analysis and for full-f simulations usingmore » the method of Langdon. It is found that the δf method exhibits a CFL-like stability condition for low temperature ions, which is independent of the parameter characterizing the implicitness of the scheme. The accuracy of the real frequency and damping rate due to the discrete time and spatial schemes is also derived using a perturbative method. The theoretical analysis of numerical error presented here may be useful for the verification of simulations and for providing intuition for the design of new implicit time integration schemes for the δf method, as well as understanding differences between δf and full-f approaches to plasma simulation.« less

A Type D Non-Vacuum Spacetime with Causality Violating Curves, and Its Physical Interpretation

NASA Astrophysics Data System (ADS)

Ahmed, Faizuddin

2017-12-01

We present a topologically trivial, non-vacuum solution of the Einstein’s field equations in four dimensions, which is regular everywhere. The metric admits circular closed timelike curves, which appear beyond the null curve, and these timelike curves are linearly stable under linear perturbations. Additionally, the spacetime admits null geodesics curve, which are not closed, and the metric is of type D in the Petrov classification scheme. The stress-energy tensor anisotropic fluid satisfy the different energy conditions and a generalization of Equation-of-State parameter of perfect fluid p=ω ρ . The metric admits a twisting, shearfree, nonexapnding timelike geodesic congruence. Finally, the physical interpretation of this solution, based on the study of the equation of the geodesics deviation, will be presented.

Limited effect of anthropogenic nitrogen oxides on secondary organic aerosol formation

NASA Astrophysics Data System (ADS)

Zheng, Y.; Unger, N.; Hodzic, A.; Emmons, L.; Knote, C.; Tilmes, S.; Lamarque, J.-F.; Yu, P.

2015-12-01

Globally, secondary organic aerosol (SOA) is mostly formed from emissions of biogenic volatile organic compounds (VOCs) by vegetation, but it can be modified by human activities as demonstrated in recent research. Specifically, nitrogen oxides (NOx = NO + NO2) have been shown to play a critical role in the chemical formation of low volatility compounds. We have updated the SOA scheme in the global NCAR (National Center for Atmospheric Research) Community Atmospheric Model version 4 with chemistry (CAM4-chem) by implementing a 4-product volatility basis set (VBS) scheme, including NOx-dependent SOA yields and aging parameterizations. Small differences are found for the no-aging VBS and 2-product schemes; large increases in SOA production and the SOA-to-OA ratio are found for the aging scheme. The predicted organic aerosol amounts capture both the magnitude and distribution of US surface annual mean measurements from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network by 50 %, and the simulated vertical profiles are within a factor of 2 compared to aerosol mass spectrometer (AMS) measurements from 13 aircraft-based field campaigns across different regions and seasons. We then perform sensitivity experiments to examine how the SOA loading responds to a 50 % reduction in anthropogenic nitric oxide (NO) emissions in different regions. We find limited SOA reductions of 0.9-5.6, 6.4-12.0 and 0.9-2.8 % for global, southeast US and Amazon NOx perturbations, respectively. The fact that SOA formation is almost unaffected by changes in NOx can be largely attributed to a limited shift in chemical regime, to buffering in chemical pathways (low- and high-NOx pathways, O3 versus NO3-initiated oxidation) and to offsetting tendencies in the biogenic versus anthropogenic SOA responses.

Analysis of periodically excited non-linear systems by a parametric continuation technique

NASA Astrophysics Data System (ADS)

Padmanabhan, C.; Singh, R.

1995-07-01

The dynamic behavior and frequency response of harmonically excited piecewise linear and/or non-linear systems has been the subject of several recent investigations. Most of the prior studies employed harmonic balance or Galerkin schemes, piecewise linear techniques, analog simulation and/or direct numerical integration (digital simulation). Such techniques are somewhat limited in their ability to predict all of the dynamic characteristics, including bifurcations leading to the occurrence of unstable, subharmonic, quasi-periodic and/or chaotic solutions. To overcome this problem, a parametric continuation scheme, based on the shooting method, is applied specifically to a periodically excited piecewise linear/non-linear system, in order to improve understanding as well as to obtain the complete dynamic response. Parameter regions exhibiting bifurcations to harmonic, subharmonic or quasi-periodic solutions are obtained quite efficiently and systematically. Unlike other techniques, the proposed scheme can follow period-doubling bifurcations, and with some modifications obtain stable quasi-periodic solutions and their bifurcations. This knowledge is essential in establishing conditions for the occurrence of chaotic oscillations in any non-linear system. The method is first validated through the Duffing oscillator example, the solutions to which are also obtained by conventional one-term harmonic balance and perturbation methods. The second example deals with a clearance non-linearity problem for both harmonic and periodic excitations. Predictions from the proposed scheme match well with available analog simulation data as well as with multi-term harmonic balance results. Potential savings in computational time over direct numerical integration is demonstrated for some of the example cases. Also, this work has filled in some of the solution regimes for an impact pair, which were missed previously in the literature. Finally, one main limitation associated with the proposed procedure is discussed.

Performance comparison of supersonic ejectors with different motive gas injection schemes applicable for flowing medium gas laser

NASA Astrophysics Data System (ADS)

Singhal, G.; Subbarao, P. M. V.; Mainuddin; Tyagi, R. K.; Dawar, A. L.

2017-05-01

A class of flowing medium gas lasers with low generator pressures employ supersonic flows with low cavity pressure and are primarily categorized as high throughput systems capable of being scaled up to MW class. These include; Chemical Oxygen Iodine Laser (COIL) and Hydrogen (Deuterium) Fluoride (HF/DF). The practicability of such laser systems for various applications is enhanced by exhausting the effluents directly to ambient atmosphere. Consequently, ejector based pressure recovery forms a potent configuration for open cycle operation. Conventionally these gas laser systems require at least two ejector stages with low pressure stage being more critical, since it directly entrains the laser media, and the ensuing perturbation of cavity flow, if any, may affect laser operation. Hence, the choice of plausible motive gas injection schemes viz., peripheral or central is a fluid dynamic issue of interest, and a parametric experimental performance comparison would be beneficial. Thus, the focus is to experimentally characterize the effect of variation in motive gas supply pressure, entrainment ratio, back pressure conditions, nozzle injection position operated together with a COIL device and discern the reasons for the behavior.

Prompt atmospheric neutrino fluxes: perturbative QCD models and nuclear effects

DOE PAGES

Bhattacharya, Atri; Enberg, Rikard; Jeong, Yu Seon; ...

2016-11-28

We evaluate the prompt atmospheric neutrino flux at high energies using three different frameworks for calculating the heavy quark production cross section in QCD: NLO perturbative QCD, k T factorization including low-x resummation, and the dipole model including parton saturation. We use QCD parameters, the value for the charm quark mass and the range for the factorization and renormalization scales that provide the best description of the total charm cross section measured at fixed target experiments, at RHIC and at LHC. Using these parameters we calculate differential cross sections for charm and bottom production and compare with the latest datamore » on forward charm meson production from LHCb at 7 TeV and at 13 TeV, finding good agreement with the data. In addition, we investigate the role of nuclear shadowing by including nuclear parton distribution functions (PDF) for the target air nucleus using two different nuclear PDF schemes. Depending on the scheme used, we find the reduction of the flux due to nuclear effects varies from 10% to 50% at the highest energies. Finally, we compare our results with the IceCube limit on the prompt neutrino flux, which is already providing valuable information about some of the QCD models.« less

Optimal solutions for the evolution of a social obesity epidemic model

NASA Astrophysics Data System (ADS)

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

2017-06-01

In this work, a novel modification in the traditional homotopy perturbation method (HPM) is proposed by embedding an auxiliary parameter in the boundary condition. The scheme is used to carry out a mathematical evaluation of the social obesity epidemic model. The incidence of excess weight and obesity in adulthood population and prediction of its behavior in the coming years is analyzed by using a modified algorithm. The proposed method increases the convergence of the approximate analytical solution over the domain of the problem. Furthermore, a convenient way is considered for choosing an optimal value of auxiliary parameters via minimizing the total residual error. The graphical comparison of the obtained results with the standard HPM explicitly reveals the accuracy and efficiency of the developed scheme.

Robust Multiple-Range Coherent Quantum State Transfer.

PubMed

Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

2016-07-01

We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise.

On the vanishing couplings in ADE affine Toda field theories

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

Saitoh, Y.; Shimada, T.

In this paper, the authors show that certain vanishing couplins in the ADE affine Toda field theories remain vanishing even after higher-order corrections are included. This is a requisite property for the Lagrangian formulation of the theory. The authors develop a new perturbative formulation and treat affine Toda field theories as a massless theory with exponential interaction terms. The authors shown that the nonrenormalization comes from the Dynkin automorphism of the Lie algebra associated with these theories. A charge balance conditions plays an important role in our scheme. The all-order nonrenormalization of vanishing couplings in [bar A][sub n] affine Todamore » field theory is also proved in a standard massive scheme.« less

Matching Pion-Nucleon Roy-Steiner Equations to Chiral Perturbation Theory.

PubMed

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meissner, Ulf-G

2015-11-06

We match the results for the subthreshold parameters of pion-nucleon scattering obtained from a solution of Roy-Steiner equations to chiral perturbation theory up to next-to-next-to-next-to-leading order, to extract the pertinent low-energy constants including a comprehensive analysis of systematic uncertainties and correlations. We study the convergence of the chiral series by investigating the chiral expansion of threshold parameters up to the same order and discuss the role of the Δ(1232) resonance in this context. Results for the low-energy constants are also presented in the counting scheme usually applied in chiral nuclear effective field theory, where they serve as crucial input to determine the long-range part of the nucleon-nucleon potential as well as three-nucleon forces.

Universal formulation of second-order generalized Møller-Plesset perturbation theory for a spin-dependent two-component relativistic many-electron Hamiltonian

NASA Astrophysics Data System (ADS)

Nakano, Masahiko; Seino, Junji; Nakai, Hiromi

2017-05-01

We have derived and implemented a universal formulation of the second-order generalized Møller-Plesset perturbation theory (GMP2) for spin-dependent (SD) two-component relativistic many-electron Hamiltonians, such as the infinite-order Douglas-Kroll-Hess Hamiltonian for many-electron systems, which is denoted as IODKH/IODKH. Numerical assessments for He- and Ne-like atoms and 16 diatomic molecules show that the MP2 correlation energies with IODKH/IODKH agree well with those calculated with the four-component Dirac-Coulomb (DC) Hamiltonian, indicating a systematic improvement on the inclusion of relativistic two-electron terms. The present MP2 scheme for IODKH/IODKH is demonstrated to be computationally more efficient than that for DC.

Matching Pion-Nucleon Roy-Steiner Equations to Chiral Perturbation Theory

NASA Astrophysics Data System (ADS)

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meißner, Ulf-G.

2015-11-01

We match the results for the subthreshold parameters of pion-nucleon scattering obtained from a solution of Roy-Steiner equations to chiral perturbation theory up to next-to-next-to-next-to-leading order, to extract the pertinent low-energy constants including a comprehensive analysis of systematic uncertainties and correlations. We study the convergence of the chiral series by investigating the chiral expansion of threshold parameters up to the same order and discuss the role of the Δ (1232 ) resonance in this context. Results for the low-energy constants are also presented in the counting scheme usually applied in chiral nuclear effective field theory, where they serve as crucial input to determine the long-range part of the nucleon-nucleon potential as well as three-nucleon forces.

Photochemistry and dynamics of the ozone layer

NASA Technical Reports Server (NTRS)

Prinn, R. G.; Alyea, F. N.; Cunnold, D. M.

1978-01-01

The paper presents a broad review of the photochemical and dynamic theories of the ozone layer. The two theories are combined into the MIT three-dimensional dynamic-chemical quasi-geostrophic model with 26 levels in the vertical spaced in logarithmic pressure coordinates between the ground and 72-km altitude. The chemical scheme incorporates the important odd nitrogen, odd hydrogen, and odd oxygen chemistry, but is simplified in the sense that it requires specification of the distributions of NO2, OH and HO2. The prognostic equations are the vorticity equation, the perturbation thermodynamic equation, and the global mean and perturbation continuity equations for ozone; diagnostic equations include the hydrostatic equation, the balance condition, and the mass continuity equation. The model is applied to the investigation of the impact of supersonic aircraft on the ozone layer.

Møller-Plesset perturbation energies and distances for HeC(20) extrapolated to the complete basis set limit.

PubMed

Varandas, A J C

2009-02-01

The potential energy surface for the C(20)-He interaction is extrapolated for three representative cuts to the complete basis set limit using second-order Møller-Plesset perturbation calculations with correlation consistent basis sets up to the doubly augmented variety. The results both with and without counterpoise correction show consistency with each other, supporting that extrapolation without such a correction provides a reliable scheme to elude the basis-set-superposition error. Converged attributes are obtained for the C(20)-He interaction, which are used to predict the fullerene dimer ones. Time requirements show that the method can be drastically more economical than the counterpoise procedure and even competitive with Kohn-Sham density functional theory for the title system.

The Dualized Standard Model and its Applications — AN Interim Report

NASA Astrophysics Data System (ADS)

Chan, Hong-Mo; Tsou, Sheung Tsun

Based on a non-Abelian generalization of electric-magnetic duality, the Dualized Standard Model (DSM) suggests a natural explanation for exactly three generations of fermions as the "dual colour" widetilde SU (3) symmetry broken in a particular manner. The resulting scheme then offers on the one hand a fermion mass hierarchy and a perturbative method for calculating the mass and mixing parameters of the Standard Model fermions, and on the other hand testable predictions for new phenomena ranging from rare meson decays to ultra-high energy cosmic rays. Calculations to one-loop order gives, at the cost of adjusting only three real parameters, values for the following quantities all (except one) in very good agreement with experiment: the quark CKM matrix elements dvbr Vrsdvbr , the lepton CKM matrix elements dvbr Ursdvbr, and the second generation masses mc, ms, mμ. This means, in particular, that it gives near maximal mixing Uμ3 between νμ and ντ as observed by SuperKamiokande, Kamiokande and Soudan, while keeping small the corresponding quark angles Vcb, Vts. In addition, the scheme gives (i) rough order-of-magnitude estimates for the masses of the lowest generation, (ii) predictions for low energy FCNC effects such as KL→ eμ, and (iii) a possible explanation for the long-standing puzzle of air showers beyond the GZK cut-off. All these together, however, still represent but a portion of the possible physical consequences derivable from the DSM scheme, the majority of which are yet to be explored.

On the chiral magnetic effect in Weyl superfluid 3He-A

NASA Astrophysics Data System (ADS)

Volovik, G. E.

2017-01-01

In the theory of the chiral anomaly in relativistic quantum field theories (RQFTs), some results depend on a regularization scheme at ultraviolet. In the chiral superfluid 3He-A, which contains two Weyl points and also experiences the effects of chiral anomaly, the "trans-Planckian" physics is known and the results can be obtained without regularization. We discuss this on example of the chiral magnetic effect (CME), which has been observed in 3He-A in the 1990s [1]. There are two forms of the contribution of the CME to the Chern-Simons term in free energy, perturbative and non-perturbative. The perturbative term comes from the fermions living in the vicinity of the Weyl point, where the fermions are "relativistic" and obey the Weyl equation. The non-perturbative term originates from the deep vacuum, being determined by the separation of the two Weyl points in momentum space. Both terms are obtained using the Adler-Bell-Jackiw equation for chiral anomaly, and both agree with the results of the microscopic calculations in the "trans-Planckian" region. Existence of the two nonequivalent forms of the Chern-Simons term demonstrates that the results obtained within the RQFT depend on the specific properties of the underlying quantum vacuum and may reflect different physical phenomena in the same vacuum.

Brain abnormality segmentation based on l1-norm minimization

NASA Astrophysics Data System (ADS)

Zeng, Ke; Erus, Guray; Tanwar, Manoj; Davatzikos, Christos

2014-03-01

We present a method that uses sparse representations to model the inter-individual variability of healthy anatomy from a limited number of normal medical images. Abnormalities in MR images are then defined as deviations from the normal variation. More precisely, we model an abnormal (pathological) signal y as the superposition of a normal part ~y that can be sparsely represented under an example-based dictionary, and an abnormal part r. Motivated by a dense error correction scheme recently proposed for sparse signal recovery, we use l1- norm minimization to separate ~y and r. We extend the existing framework, which was mainly used on robust face recognition in a discriminative setting, to address challenges of brain image analysis, particularly the high dimensionality and low sample size problem. The dictionary is constructed from local image patches extracted from training images aligned using smooth transformations, together with minor perturbations of those patches. A multi-scale sliding-window scheme is applied to capture anatomical variations ranging from fine and localized to coarser and more global. The statistical significance of the abnormality term r is obtained by comparison to its empirical distribution through cross-validation, and is used to assign an abnormality score to each voxel. In our validation experiments the method is applied for segmenting abnormalities on 2-D slices of FLAIR images, and we obtain segmentation results consistent with the expert-defined masks.

Efficiency for preforming molecules from mixtures of light Fermi and heavy Bose atoms in optical lattices: The strong-coupling-expansion method

NASA Astrophysics Data System (ADS)

Hu, Anzi; Freericks, J. K.; Maśka, M. M.; Williams, C. J.

2011-04-01

We discuss the application of a strong-coupling expansion (perturbation theory in the hopping) for studying light-Fermi-heavy-Bose (like K40-Rb87) mixtures in optical lattices. We use the strong-coupling method to evaluate the efficiency for preforming molecules, the entropy per particle, and the thermal fluctuations. We show that within the strong interaction regime (and at high temperature), the strong-coupling expansion is an economical way to study this problem. In some cases, it remains valid even down to low temperatures. Because the computational effort is minimal, the strong-coupling approach allows us to work with much larger system sizes, where boundary effects can be eliminated, which is particularly important at higher temperatures. Since the strong-coupling approach is so efficient and accurate, it allows one to rapidly scan through parameter space in order to optimize the preforming of molecules on a lattice (by choosing the lattice depth and interspecies attraction). Based on the strong-coupling calculations, we test the thermometry scheme based on the fluctuation-dissipation theorem and find the scheme gives accurate temperature estimation even at very low temperature. We believe this approach and the calculation results will be useful in the design of the next generation of experiments and will hopefully lead to the ability to form dipolar matter in the quantum degenerate regime.

High order finite volume WENO schemes for the Euler equations under gravitational fields

NASA Astrophysics Data System (ADS)

Li, Gang; Xing, Yulong

2016-07-01

Euler equations with gravitational source terms are used to model many astrophysical and atmospheric phenomena. This system admits hydrostatic balance where the flux produced by the pressure is exactly canceled by the gravitational source term, and two commonly seen equilibria are the isothermal and polytropic hydrostatic solutions. Exact preservation of these equilibria is desirable as many practical problems are small perturbations of such balance. High order finite difference weighted essentially non-oscillatory (WENO) schemes have been proposed in [22], but only for the isothermal equilibrium state. In this paper, we design high order well-balanced finite volume WENO schemes, which can preserve not only the isothermal equilibrium but also the polytropic hydrostatic balance state exactly, and maintain genuine high order accuracy for general solutions. The well-balanced property is obtained by novel source term reformulation and discretization, combined with well-balanced numerical fluxes. Extensive one- and two-dimensional simulations are performed to verify well-balanced property, high order accuracy, as well as good resolution for smooth and discontinuous solutions.

Neutral kaon mixing beyond the Standard Model with n f = 2 + 1 chiral fermions. Part 2: non perturbative renormalisation of the Δ F = 2 four-quark operators

NASA Astrophysics Data System (ADS)

Boyle, Peter A.; Garron, Nicolas; Hudspith, Renwick J.; Lehner, Christoph; Lytle, Andrew T.

2017-10-01

We compute the renormalisation factors ( Z-matrices) of the Δ F = 2 four-quark operators needed for Beyond the Standard Model (BSM) kaon mixing. We work with n f = 2+1 flavours of Domain-Wall fermions whose chiral-flavour properties are essential to maintain a continuum-like mixing pattern. We introduce new RI-SMOM renormalisation schemes, which we argue are better behaved compared to the commonly-used corresponding RI-MOM one. We find that, once converted to \\overline{MS} , the Z-factors computed through these RI-SMOM schemes are in good agreement but differ significantly from the ones computed through the RI-MOM scheme. The RI-SMOM Z-factors presented here have been used to compute the BSM neutral kaon mixing matrix elements in the companion paper [1]. We argue that the renormalisation procedure is responsible for the discrepancies observed by different collaborations, we will investigate and elucidate the origin of these differences throughout this work.

Testing higher-order Lagrangian perturbation theory against numerical simulations. 2: Hierarchical models

NASA Technical Reports Server (NTRS)

Melott, A. L.; Buchert, T.; Weib, A. G.

1995-01-01

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of scales. The Lagrangian theory of gravitational instability of Friedmann-Lemaitre cosmogonies is compared with numerical simulations. We study the dynamics of hierarchical models as a second step. In the first step we analyzed the performance of the Lagrangian schemes for pancake models, the difference being that in the latter models the initial power spectrum is truncated. This work probed the quasi-linear and weakly non-linear regimes. We here explore whether the results found for pancake models carry over to hierarchical models which are evolved deeply into the non-linear regime. We smooth the initial data by using a variety of filter types and filter scales in order to determine the optimal performance of the analytical models, as has been done for the 'Zel'dovich-approximation' - hereafter TZA - in previous work. We find that for spectra with negative power-index the second-order scheme performs considerably better than TZA in terms of statistics which probe the dynamics, and slightly better in terms of low-order statistics like the power-spectrum. However, in contrast to the results found for pancake models, where the higher-order schemes get worse than TZA at late non-linear stages and on small scales, we here find that the second-order model is as robust as TZA, retaining the improvement at later stages and on smaller scales. In view of these results we expect that the second-order truncated Lagrangian model is especially useful for the modelling of standard dark matter models such as Hot-, Cold-, and Mixed-Dark-Matter.

Addressing model uncertainty through stochastic parameter perturbations within the High Resolution Rapid Refresh (HRRR) ensemble

NASA Astrophysics Data System (ADS)

Wolff, J.; Jankov, I.; Beck, J.; Carson, L.; Frimel, J.; Harrold, M.; Jiang, H.

2016-12-01

It is well known that global and regional numerical weather prediction ensemble systems are under-dispersive, producing unreliable and overconfident ensemble forecasts. Typical approaches to alleviate this problem include the use of multiple dynamic cores, multiple physics suite configurations, or a combination of the two. While these approaches may produce desirable results, they have practical and theoretical deficiencies and are more difficult and costly to maintain. An active area of research that promotes a more unified and sustainable system for addressing the deficiencies in ensemble modeling is the use of stochastic physics to represent model-related uncertainty. Stochastic approaches include Stochastic Parameter Perturbations (SPP), Stochastic Kinetic Energy Backscatter (SKEB), Stochastic Perturbation of Physics Tendencies (SPPT), or some combination of all three. The focus of this study is to assess the model performance within a convection-permitting ensemble at 3-km grid spacing across the Contiguous United States (CONUS) when using stochastic approaches. For this purpose, the test utilized a single physics suite configuration based on the operational High-Resolution Rapid Refresh (HRRR) model, with ensemble members produced by employing stochastic methods. Parameter perturbations were employed in the Rapid Update Cycle (RUC) land surface model and Mellor-Yamada-Nakanishi-Niino (MYNN) planetary boundary layer scheme. Results will be presented in terms of bias, error, spread, skill, accuracy, reliability, and sharpness using the Model Evaluation Tools (MET) verification package. Due to the high level of complexity of running a frequently updating (hourly), high spatial resolution (3 km), large domain (CONUS) ensemble system, extensive high performance computing (HPC) resources were needed to meet this objective. Supercomputing resources were provided through the National Center for Atmospheric Research (NCAR) Strategic Capability (NSC) project support, allowing for a more extensive set of tests over multiple seasons, consequently leading to more robust results. Through the use of these stochastic innovations and powerful supercomputing at NCAR, further insights and advancements in ensemble forecasting at convection-permitting scales will be possible.

Sensitivity of Boreal-Summer Circulation and Precipitation to Atmospheric Aerosols in Selected Regions. Part 2; The Americas

NASA Technical Reports Server (NTRS)

Wilcox, E. M.; Sud, Y. C.; Walker, G.

2009-01-01

Aerosol perturbations over selected land regions are imposed in Version-4 of the Goddard Earth Observing System (GEOS-4) general circulation model (GCM) to assess the influence of increasing aerosol concentrations on regional circulation patterns and precipitation in four selected regions: India, Africa, and North and South America. Part 1 of this paper addresses the responses to aerosol perturbations in India and Africa. This paper presents the same for aerosol perturbations over the Americas. GEOS-4 is forced with prescribed aerosols based on climatological data, which interact with clouds using a prognostic scheme for cloud microphysics including aerosol nucleation of water and ice cloud hydrometeors. In clear-sky conditions the aerosols interact with radiation. Thus the model includes comprehensive physics describing the aerosol direct and indirect effects on climate (hereafter ADE and AIE respectively). Each simulation is started from analyzed initial conditions for 1 May and was integrated through June-July-August of each of the six years: 1982 1987 to provide a 6-ensemble set. Results are presented for the difference between simulations with double the climatological aerosol concentration and one-half the climatological aerosol concentration for three experiments: two where the ADE and AIE are applied separately and one in which both the ADE and AIE are applied. The ADE and AIE both yield reductions in net radiation at the top of the atmosphere and surface while the direct absorption of shortwave radiation contributes a net radiative heating in the atmosphere. A large net heating of the atmosphere is also apparent over the subtropical North Atlantic Ocean that is attributable to the large aerosol perturbation imposed over Africa. This atmospheric warming and the depression of the surface pressure over North America contribute to a northward shift of the inter-Tropical Convergence Zone over northern America, an increase in precipitation over Central America and the Caribbean, and an enhancement of convergence in the North American monsoon region.

A New Homotopy Perturbation Scheme for Solving Singular Boundary Value Problems Arising in Various Physical Models

NASA Astrophysics Data System (ADS)

Roul, Pradip; Warbhe, Ujwal

2017-08-01

The classical homotopy perturbation method proposed by J. H. He, Comput. Methods Appl. Mech. Eng. 178, 257 (1999) is useful for obtaining the approximate solutions for a wide class of nonlinear problems in terms of series with easily calculable components. However, in some cases, it has been found that this method results in slowly convergent series. To overcome the shortcoming, we present a new reliable algorithm called the domain decomposition homotopy perturbation method (DDHPM) to solve a class of singular two-point boundary value problems with Neumann and Robin-type boundary conditions arising in various physical models. Five numerical examples are presented to demonstrate the accuracy and applicability of our method, including thermal explosion, oxygen-diffusion in a spherical cell and heat conduction through a solid with heat generation. A comparison is made between the proposed technique and other existing seminumerical or numerical techniques. Numerical results reveal that only two or three iterations lead to high accuracy of the solution and this newly improved technique introduces a powerful improvement for solving nonlinear singular boundary value problems (SBVPs).

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

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

Vlah, Zvonimir; White, Martin; Aviles, Alejandro, E-mail: zvlah@stanford.edu, E-mail: mwhite@berkeley.edu, E-mail: aviles@berkeley.edu

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The 'new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. All the perturbative models fare better than linear theory.« less

A Lagrangian effective field theory

DOE PAGES

Vlah, Zvonimir; White, Martin; Aviles, Alejandro

2015-09-02

We have continued the development of Lagrangian, cosmological perturbation theory for the low-order correlators of the matter density field. We provide a new route to understanding how the effective field theory (EFT) of large-scale structure can be formulated in the Lagrandian framework and a new resummation scheme, comparing our results to earlier work and to a series of high-resolution N-body simulations in both Fourier and configuration space. The `new' terms arising from EFT serve to tame the dependence of perturbation theory on small-scale physics and improve agreement with simulations (though with an additional free parameter). We find that all ofmore » our models fare well on scales larger than about two to three times the non-linear scale, but fail as the non-linear scale is approached. This is slightly less reach than has been seen previously. At low redshift the Lagrangian model fares as well as EFT in its Eulerian formulation, but at higher z the Eulerian EFT fits the data to smaller scales than resummed, Lagrangian EFT. Furthermore, all the perturbative models fare better than linear theory.« less

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations. Part 1; Viscous Fluxes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.; Nielsen, Eric J.; Nishikawa, Hiroaki; White, Jeffery A.

2009-01-01

Discretization of the viscous terms in current finite-volume unstructured-grid schemes are compared using node-centered and cell-centered approaches in two dimensions. Accuracy and efficiency are studied for six nominally second-order accurate schemes: a node-centered scheme, cell-centered node-averaging schemes with and without clipping, and cell-centered schemes with unweighted, weighted, and approximately mapped least-square face gradient reconstruction. The grids considered range from structured (regular) grids to irregular grids composed of arbitrary mixtures of triangles and quadrilaterals, including random perturbations of the grid points to bring out the worst possible behavior of the solution. Two classes of tests are considered. The first class of tests involves smooth manufactured solutions on both isotropic and highly anisotropic grids with discontinuous metrics, typical of those encountered in grid adaptation. The second class concerns solutions and grids varying strongly anisotropically over a curved body, typical of those encountered in high-Reynolds number turbulent flow simulations. Results from the first class indicate the face least-square methods, the node-averaging method without clipping, and the node-centered method demonstrate second-order convergence of discretization errors with very similar accuracies per degree of freedom. The second class of tests are more discriminating. The node-centered scheme is always second order with an accuracy and complexity in linearization comparable to the best of the cell-centered schemes. In comparison, the cell-centered node-averaging schemes are less accurate, have a higher complexity in linearization, and can fail to converge to the exact solution when clipping of the node-averaged values is used. The cell-centered schemes using least-square face gradient reconstruction have more compact stencils with a complexity similar to the complexity of the node-centered scheme. For simulations on highly anisotropic curved grids, the least-square methods have to be amended either by introducing a local mapping of the surface anisotropy or modifying the scheme stencil to reflect the direction of strong coupling.

Transonic small disturbances equation applied to the solution of two-dimensional nonsteady flows

NASA Technical Reports Server (NTRS)

Couston, M.; Angelini, J. J.; Mulak, P.

1980-01-01

Transonic nonsteady flows are of large practical interest. Aeroelastic instability prediction, control figured vehicle techniques or rotary wings in forward flight are some examples justifying the effort undertaken to improve knowledge of these problems is described. The numerical solution of these problems under the potential flow hypothesis is described. The use of an alternating direction implicit scheme allows the efficient resolution of the two dimensional transonic small perturbations equation.

Classification and Evaluation of Coherent Synchronous Sampled-Data Telemetry Systems

NASA Technical Reports Server (NTRS)

Viterbi, Andrew

1961-01-01

This paper analyzes the various types of continuous wave and pulse modulation for the transmission of sampled data over channels perturbed by white gaussian noise. Optimal coherent synchronous detection schemes for all the different modulation methods are shown to belong to one of two general classes: linear synchronous detection and correlation detection. The figures of merit, mean-square signal-to-error ratio and bandwidth occupancy, are determined for each system and compared.

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

Bes, D. R.; Civitarese, O.

The experimental information on isospin-spin excitations around {sup 58}Ni is analyzed by using isoscalar and isovector pairing vibrations, Gamow-Teller (GT) modes, and their couplings. It is found that the proposed coupling scheme accounts for a sizable amount of the strength associated with isospin-spin excitations, which include transitions to both one- and two-phonon states. The calculations are performed within the framework of perturbation theory, accounting for the renormalization of the charge by the collective GT excitations.

Self-force via m-mode regularization and 2+1D evolution. II. Scalar-field implementation on Kerr spacetime

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

Dolan, Sam R.; Barack, Leor; Wardell, Barry

2011-10-15

This is the second in a series of papers aimed at developing a practical time-domain method for self-force calculations in Kerr spacetime. The key elements of the method are (i) removal of a singular part of the perturbation field with a suitable analytic 'puncture' based on the Detweiler-Whiting decomposition, (ii) decomposition of the perturbation equations in azimuthal (m-)modes, taking advantage of the axial symmetry of the Kerr background, (iii) numerical evolution of the individual m-modes in 2+1 dimensions with a finite-difference scheme, and (iv) reconstruction of the physical self-force from the mode sum. Here we report an implementation of themore » method to compute the scalar-field self-force along circular equatorial geodesic orbits around a Kerr black hole. This constitutes a first time-domain computation of the self-force in Kerr geometry. Our time-domain code reproduces the results of a recent frequency-domain calculation by Warburton and Barack, but has the added advantage of being readily adaptable to include the backreaction from the self-force in a self-consistent manner. In a forthcoming paper--the third in the series--we apply our method to the gravitational self-force (in the Lorenz gauge).« less

Development of a piezo-actuated micro-teleoperation system for cell manipulation.

PubMed

Zareinejad, M; Rezaei, S M; Abdullah, A; Shiry Ghidary, S

2009-03-01

Intracytoplasmic sperm injection (ICSI) requires long training and has low success rates, primarily due to poor control over the injection force. Making force feedback available to the operator will improve the success rate of the injection task. A macro-micro-teleoperation system bridges the gap between the task performed at the micro-level and the macroscopic movements of the operator. The teleoperation slave manipulator should accurately position a needle to precisely penetrate a cell membrane. Piezoelectric actuators are widely used in micromanipulation applications; however, hysteresis non-linearity limits the accuracy of these actuators. This paper presents a novel approach for utilizing a piezoelectric nano-stage as slave manipulator of a teleoperation system. The Prandtl-Ishlinskii (PI) model is used to model actuator hysteresis in a feedforward scheme to cancel out this non-linearity. To deal with the influence of parametric uncertainties, unmodelled dynamics and PI identification error, a perturbation term is added to the slave model and applies a sliding mode-based impedance control with perturbation estimation. The stability of entire system is guaranteed by Llewellyn's absolute stability criterion. The performance of the proposed controller was investigated through experiments for cell membrane penetration. The experimental results verified the accurate position tracking in free motion and simultaneous position and force tracking in contact with a low stiffness environment.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

NASA Astrophysics Data System (ADS)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

Microscopic spin Hamiltonian approaches for 3d8 and 3d2 ions in a trigonal crystal field - perturbation theory methods versus complete diagonalization methods

NASA Astrophysics Data System (ADS)

Rudowicz, Czeslaw; Yeung, Yau-yuen; Yang, Zi-Yuan; Qin, Jian

2002-06-01

In this paper, we critically review the existing microscopic spin Hamiltonian (MSH) approaches, namely the complete diagonalization method (CDM) and the perturbation theory method (PTM), for 3d8(3d2) ions in a trigonal (C3v, D3, D3d) symmetry crystal field (CF). A new CDM is presented and a CFA/MSH computer package based on our crystal-field analysis (CFA) package for 3dN ions is developed for numerical calculations. Our method takes into account the contribution to the SH parameters (D, g∥ and g⊥) from all 45 CF states for 3d8(3d2) ions and is based on the complete diagonalization of the Hamiltonian including the electrostatic interactions, the CF terms (in the intermediate CF scheme) and the spin-orbit coupling. The CFA/MSH package enables us to study not only the CF energy levels and wavefunctions but also the SH parameters as functions of the CF parameters (B20, B40 and B43 or alternatively Dq, v and v') for 3d8(3d2) ions in trigonal symmetry. Extensive comparative studies of other MSH approaches are carried out using the CFA/MSH package. First, we check the accuracy of the approximate PTM based on the `quasi-fourth-order' perturbation formulae developed by Petrosyan and Mirzakhanyan (PM). The present investigations indicate that the PM formulae for the g-factors (g∥ and g⊥) indeed work well, especially for the cases of small v and v' and large Dq, whereas the PM formula for the zero-field splitting (ZFS) exhibits serious shortcomings. Earlier criticism of the PM approach by Zhou et al (Zhou K W, Zhao S B, Wu P F and Xie J K 1990 Phys. Status Solidi b 162 193) is then revisited. Second, we carry out an extensive comparison of the results of the present CFA/MSH package and those of other CDMs based on the strong- and weak-CF schemes. The CF energy levels and the SH parameters for 3d2 and 3d8 ions at C3v symmetry sites in several crystals are calculated and analysed. Our investigations reveal serious inconsistencies in the CDM results of Zhou et al and Li (Li Y 1995 J. Phys.: Condens. Matter 7 4075) based on the strong-CF scheme for Ni2+ ions in LiNbO3 crystals. The correctness of our CFA/MSH package is verified by comparing our results with the predictions of Ma et al (Ma D P, Ma N, Ma X D and Zhang H M 1998 J. Phys. Chem. Solids 59 1211, Ma D P, Ma X D, Chen J R and Liu Y Y 1997 Phys. Rev. B 56 1780) and Macfarlane (Macfarlane R M 1964 J. Chem. Phys. 40 373) for α-Al2O3 : V3+(3d2) and MgO : Ni2+(3d8). It appears that the two independent approaches show perfect agreement with our approach, unlike those of Zhou et al and Li, which turn out to be unreliable. Our results reveal that the contributions to the ZFS parameter from the higher excited states cannot be neglected; also, the ZFS parameter is very sensitive to slight changes of the crystal structure. Hence our CFA/MSH package, which takes into account the contributions to the ZFS parameter from the higher excited states, can provide reliable results and proves to be a useful tool for the studies of the effect of the lattice distortions, defects and structural disorder on the spectroscopic properties of 3d2 and 3d8 ions at trigonal symmetry sites in crystals.

Massively parallel and linear-scaling algorithm for second-order Moller–Plesset perturbation theory applied to the study of supramolecular wires

DOE PAGES

Kjaergaard, Thomas; Baudin, Pablo; Bykov, Dmytro; ...

2016-11-16

Here, we present a scalable cross-platform hybrid MPI/OpenMP/OpenACC implementation of the Divide–Expand–Consolidate (DEC) formalism with portable performance on heterogeneous HPC architectures. The Divide–Expand–Consolidate formalism is designed to reduce the steep computational scaling of conventional many-body methods employed in electronic structure theory to linear scaling, while providing a simple mechanism for controlling the error introduced by this approximation. Our massively parallel implementation of this general scheme has three levels of parallelism, being a hybrid of the loosely coupled task-based parallelization approach and the conventional MPI +X programming model, where X is either OpenMP or OpenACC. We demonstrate strong and weak scalabilitymore » of this implementation on heterogeneous HPC systems, namely on the GPU-based Cray XK7 Titan supercomputer at the Oak Ridge National Laboratory. Using the “resolution of the identity second-order Moller–Plesset perturbation theory” (RI-MP2) as the physical model for simulating correlated electron motion, the linear-scaling DEC implementation is applied to 1-aza-adamantane-trione (AAT) supramolecular wires containing up to 40 monomers (2440 atoms, 6800 correlated electrons, 24 440 basis functions and 91 280 auxiliary functions). This represents the largest molecular system treated at the MP2 level of theory, demonstrating an efficient removal of the scaling wall pertinent to conventional quantum many-body methods.« less

Exact calculation of the time convolutionless master equation generator: Application to the nonequilibrium resonant level model

NASA Astrophysics Data System (ADS)

Kidon, Lyran; Wilner, Eli Y.; Rabani, Eran

2015-12-01

The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima-Zwanzig-Mori time-convolution (TC) and the other on the Tokuyama-Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called "memory kernel" or "generator," going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operator in the full Hilbert space, which is difficult to perform and thus, nearly all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the reduced Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green's function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.

Constraint damping for the Z4c formulation of general relativity

NASA Astrophysics Data System (ADS)

Weyhausen, Andreas; Bernuzzi, Sebastiano; Hilditch, David

2012-01-01

One possibility for avoiding constraint violation in numerical relativity simulations adopting free-evolution schemes is to modify the continuum evolution equations so that constraint violations are damped away. Gundlach et al. demonstrated that such a scheme damps low-amplitude, high-frequency constraint-violating modes exponentially for the Z4 formulation of general relativity. Here we analyze the effect of the damping scheme in numerical applications on a conformal decomposition of Z4. After reproducing the theoretically predicted damping rates of constraint violations in the linear regime, we explore numerical solutions not covered by the theoretical analysis. In particular we examine the effect of the damping scheme on low-frequency and on high-amplitude perturbations of flat spacetime as well and on the long-term dynamics of puncture and compact star initial data in the context of spherical symmetry. We find that the damping scheme is effective provided that the constraint violation is resolved on the numerical grid. On grid noise the combination of artificial dissipation and damping helps to suppress constraint violations. We find that care must be taken in choosing the damping parameter in simulations of puncture black holes. Otherwise the damping scheme can cause undesirable growth of the constraints, and even qualitatively incorrect evolutions. In the numerical evolution of a compact static star we find that the choice of the damping parameter is even more delicate, but may lead to a small decrease of constraint violation. For a large range of values it results in unphysical behavior.

Stabilizing Motifs in Autonomous Boolean Networks and the Yeast Cell Cycle Oscillator

NASA Astrophysics Data System (ADS)

Sevim, Volkan; Gong, Xinwei; Socolar, Joshua

2009-03-01

Synchronously updated Boolean networks are widely used to model gene regulation. Some properties of these model networks are known to be artifacts of the clocking in the update scheme. Autonomous updating is a less artificial scheme that allows one to introduce small timing perturbations and study stability of the attractors. We argue that the stabilization of a limit cycle in an autonomous Boolean network requires a combination of motifs such as feed-forward loops and auto-repressive links that can correct small fluctuations in the timing of switching events. A recently published model of the transcriptional cell-cycle oscillator in yeast contains the motifs necessary for stability under autonomous updating [1]. [1] D. A. Orlando, et al. Nature (London), 4530 (7197):0 944--947, 2008.

Robust Multiple-Range Coherent Quantum State Transfer

PubMed Central

Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

2016-01-01

We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise. PMID:27364891

Adaptive control for a class of nonlinear complex dynamical systems with uncertain complex parameters and perturbations

PubMed Central

Liu, Jian; Liu, Kexin; Liu, Shutang

2017-01-01

In this paper, adaptive control is extended from real space to complex space, resulting in a new control scheme for a class of n-dimensional time-dependent strict-feedback complex-variable chaotic (hyperchaotic) systems (CVCSs) in the presence of uncertain complex parameters and perturbations, which has not been previously reported in the literature. In detail, we have developed a unified framework for designing the adaptive complex scalar controller to ensure this type of CVCSs asymptotically stable and for selecting complex update laws to estimate unknown complex parameters. In particular, combining Lyapunov functions dependent on complex-valued vectors and back-stepping technique, sufficient criteria on stabilization of CVCSs are derived in the sense of Wirtinger calculus in complex space. Finally, numerical simulation is presented to validate our theoretical results. PMID:28467431

Adaptive control for a class of nonlinear complex dynamical systems with uncertain complex parameters and perturbations.

PubMed

Liu, Jian; Liu, Kexin; Liu, Shutang

2017-01-01

In this paper, adaptive control is extended from real space to complex space, resulting in a new control scheme for a class of n-dimensional time-dependent strict-feedback complex-variable chaotic (hyperchaotic) systems (CVCSs) in the presence of uncertain complex parameters and perturbations, which has not been previously reported in the literature. In detail, we have developed a unified framework for designing the adaptive complex scalar controller to ensure this type of CVCSs asymptotically stable and for selecting complex update laws to estimate unknown complex parameters. In particular, combining Lyapunov functions dependent on complex-valued vectors and back-stepping technique, sufficient criteria on stabilization of CVCSs are derived in the sense of Wirtinger calculus in complex space. Finally, numerical simulation is presented to validate our theoretical results.

Two color laser driven THz generation in clustered plasma

NASA Astrophysics Data System (ADS)

Malik, Rakhee; Uma, R.; Kumar, Pawan

2017-07-01

A scheme of terahertz (THz) generation, using nonlinear mixing of two color laser (fundamental ω1 and slightly frequency shifted second harmonic ω2 ) in clustered plasma, is investigated. The lasers exert ponderomotive force on cluster electrons and drive density perturbations at 2 ω1 and ω2-ω1 . The density perturbations beat with the oscillatory velocities to produce nonlinear current at ω2-2 ω1 , generating THz radiation. The radiation is enhanced due to cluster plasmon resonance and by phase matching introduced through a density ripple. The generation involves third order nonlinearity and does not require a magnetic field or inhomogeneity to sustain it. We report THz power conversion efficiency ˜ 10-4 at 1 μm and 0.5 μm wavelengths with intensity ˜ 3 ×1014W/cm 2 .

Microscopic Lagrangian description of warm plasmas. I - Linear wave propagation. II - Nonlinear wave interactions

NASA Technical Reports Server (NTRS)

Kim, H.; Crawford, F. W.

1977-01-01

It is pointed out that the conventional iterative analysis of nonlinear plasma wave phenomena, which involves a direct use of Maxwell's equations and the equations describing the particle dynamics, leads to formidable theoretical and algebraic complexities, especially for warm plasmas. As an effective alternative, the Lagrangian method may be applied. It is shown how this method may be used in the microscopic description of small-signal wave propagation and in the study of nonlinear wave interactions. The linear theory is developed for an infinite, homogeneous, collisionless, warm magnetoplasma. A summary is presented of a perturbation expansion scheme described by Galloway and Kim (1971), and Lagrangians to third order in perturbation are considered. Attention is given to the averaged-Lagrangian density, the action-transfer and coupled-mode equations, and the general solution of the coupled-mode equations.

Comparison of fully internally and strongly contracted multireference configuration interaction procedures

NASA Astrophysics Data System (ADS)

Sivalingam, Kantharuban; Krupicka, Martin; Auer, Alexander A.; Neese, Frank

2016-08-01

Multireference (MR) methods occupy an important class of approaches in quantum chemistry. In many instances, for example, in studying complex magnetic properties of transition metal complexes, they are actually the only physically satisfactory choice. In traditional MR approaches, single and double excitations are performed with respect to all reference configurations (or configuration state functions, CSFs), which leads to an explosive increase of computational cost for larger reference spaces. This can be avoided by the internal contraction scheme proposed by Meyer and Siegbahn, which effectively reduces the number of wavefunction parameters to their single-reference counterpart. The "fully internally contracted" scheme (FIC) is well known from the popular CASPT2 approach. An even shorter expansion of the wavefunction is possible with the "strong contraction" (SC) scheme proposed by Angeli and Malrieu in their NEVPT2 approach. Promising multireference configuration interaction formulations (MRCI) employing internal contraction and strong contraction have been reported by several authors. In this work, we report on the implementation of the FIC-MRCI and SC-MRCI methodologies, using a computer assisted implementation strategy. The methods are benchmarked against the traditional uncontracted MRCI approach for ground and excited states of small molecules (N2, O2, CO, CO+, OH, CH, and CN). For ground states, the comparison includes the "partially internally contracted" MRCI based on the Celani-Werner ansatz (PC-MRCI). For the three contraction schemes, the average errors range from 2% to 6% of the uncontracted MRCI correlation energies. Excitation energies are reproduced with ˜0.2 eV accuracy. In most cases, the agreement is better than 0.2 eV, even in cases with very large differential correlation contributions as exemplified for the d-d and ligand-to-metal charge transfer transitions of a Cu [NH 3 ] 4 2 + model complex. The benchmark is supplemented with the investigation of typical potential energy surfaces (i.e., N2, HF, LiF, BeH2, ethane C-C bond stretching, and the ethylene double bond torsion). Our results indicate that the SC-scheme, which is successful in the context of second- and third-order perturbation theory, does not offer computational advantages and at the same time leads to much larger errors than the PC and FIC schemes. We discuss the advantages and disadvantages of the PC and FIC schemes, which are of comparable accuracy and, for the systems tested, also of comparable efficiency.

Generalized uncertainty principle and quantum gravity phenomenology

NASA Astrophysics Data System (ADS)

Bosso, Pasquale

The fundamental physical description of Nature is based on two mutually incompatible theories: Quantum Mechanics and General Relativity. Their unification in a theory of Quantum Gravity (QG) remains one of the main challenges of theoretical physics. Quantum Gravity Phenomenology (QGP) studies QG effects in low-energy systems. The basis of one such phenomenological model is the Generalized Uncertainty Principle (GUP), which is a modified Heisenberg uncertainty relation and predicts a deformed canonical commutator. In this thesis, we compute Planck-scale corrections to angular momentum eigenvalues, the hydrogen atom spectrum, the Stern-Gerlach experiment, and the Clebsch-Gordan coefficients. We then rigorously analyze the GUP-perturbed harmonic oscillator and study new coherent and squeezed states. Furthermore, we introduce a scheme for increasing the sensitivity of optomechanical experiments for testing QG effects. Finally, we suggest future projects that may potentially test QG effects in the laboratory.

Precise single-qubit control of the reflection phase of a photon mediated by a strongly-coupled ancilla–cavity system

NASA Astrophysics Data System (ADS)

Motzoi, F.; Mølmer, K.

2018-05-01

We propose to use the interaction between a single qubit atom and a surrounding ensemble of three level atoms to control the phase of light reflected by an optical cavity. Our scheme employs an ensemble dark resonance that is perturbed by the qubit atom to yield a single-atom single photon gate. We show here that off-resonant excitation towards Rydberg states with strong dipolar interactions offers experimentally-viable regimes of operations with low errors (in the 10‑3 range) as required for fault-tolerant optical-photon, gate-based quantum computation. We also propose and analyze an implementation within microwave circuit-QED, where a strongly-coupled ancilla superconducting qubit can be used in the place of the atomic ensemble to provide high-fidelity coupling to microwave photons.

Direct CFD Predictions of Low Frequency Sounds Generated by a Helicopter Main Rotor

NASA Technical Reports Server (NTRS)

Sim, Ben W.; Potsdam, Mark A.; Conner, Dave A.; Conner, Dave A.; Watts, Michael E.

2010-01-01

The use of CFD to directly predict helicopter main rotor noise is shown to be quite promising as an alternative mean for low frequency source noise evaluation. Results using existing state-of-the-art grid structures and finite-difference schemes demonstrated that small perturbation pressures, associated with acoustics radiation, can be extracted with some degree of fidelity. Accuracy of the predictions are demonstrated via comparing to predictions from conventional acoustic analogy-based models, and with measurements obtained from wind tunnel and flight tests for the MD-902 helicopter at several operating conditions. Findings show that the direct CFD approach is quite successfully in yielding low frequency results due to thickness and steady loading noise mechanisms. Mid-to-high frequency contents, due to blade-vortex interactions, are not predicted due to CFD modeling and grid constraints.

Mixed formulation for frictionless contact problems

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Kim, Kyun O.

1989-01-01

Simple mixed finite element models and a computational precedure are presented for the solution of frictionless contact problems. The analytical formulation is based on a form of Reissner's large rotation theory of the structure with the effects of transverse shear deformation included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the internal forces (stress resultants), the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The element characteristic array are obtained by using a modified form of the two-field Hellinger-Reissner mixed variational principle. The internal forces and the Lagrange multipliers are allowed to be discontinuous at interelement boundaries. The Newton-Raphson iterative scheme is used for the solution of the nonlinear algebraic equations, and the determination of the contact area and the contact pressures.

Antiwindup analysis and design approaches for MIMO systems

NASA Technical Reports Server (NTRS)

Marcopoli, Vincent R.; Phillips, Stephen M.

1994-01-01

Performance degradation of multiple-input multiple-output (MIMO) control systems having limited actuators is often handled by augmenting the controller with an antiwindup mechanism, which attempts to maintain system performance when limits are encountered. The goals of this paper are: (1) To develop a method to analyze antiwindup systems to determine precisely what stability and performance degradation is incurred under limited conditions. It is shown that by reformulating limited actuator commands as resulting from multiplicative perturbations to the corresponding controller requests, mu-analysis tools can be utilized to obtain quantitative measures of stability and performance degradation. (2) To propose a linear, time invariant (LTI) criterion on which to base the antiwindup design. These analysis and design methods are illustrated through the evaluation of two competing antiwindup schemes augmenting the controller of a Short Take-Off and Vertical Landing (STOVL) aircraft in transition flight.

Antiwindup analysis and design approaches for MIMO systems

NASA Technical Reports Server (NTRS)

Marcopoli, Vincent R.; Phillips, Stephen M.

1993-01-01

Performance degradation of multiple-input multiple-output (MIMO) control systems having limited actuators is often handled by augmenting the controller with an antiwindup mechanism, which attempts to maintain system performance when limits are encountered. The goals of this paper are: 1) to develop a method to analyze antiwindup systems to determine precisely what stability and performance degradation is incurred under limited conditions. It is shown that by reformulating limited actuator commands as resulting from multiplicative perturbations to the corresponding controller requests, mu-analysis tools can be utilized to obtain quantitative measures of stability and performance degradation. 2) To propose a linear, time invariant (LTI) criterion on which to base the antiwindup design. These analysis and design methods are illustrated through the evaluation of two competing antiwindup schemes augmenting the controller of a Short Take-Off and Vertical Landing (STOVL) aircraft in transition flight.

Modelling the large-scale redshift-space 3-point correlation function of galaxies

NASA Astrophysics Data System (ADS)

Slepian, Zachary; Eisenstein, Daniel J.

2017-08-01

We present a configuration-space model of the large-scale galaxy 3-point correlation function (3PCF) based on leading-order perturbation theory and including redshift-space distortions (RSD). This model should be useful in extracting distance-scale information from the 3PCF via the baryon acoustic oscillation method. We include the first redshift-space treatment of biasing by the baryon-dark matter relative velocity. Overall, on large scales the effect of RSD is primarily a renormalization of the 3PCF that is roughly independent of both physical scale and triangle opening angle; for our adopted Ωm and bias values, the rescaling is a factor of ˜1.8. We also present an efficient scheme for computing 3PCF predictions from our model, important for allowing fast exploration of the space of cosmological parameters in future analyses.

Large-scale image-based profiling of single-cell phenotypes in arrayed CRISPR-Cas9 gene perturbation screens.

PubMed

de Groot, Reinoud; Lüthi, Joel; Lindsay, Helen; Holtackers, René; Pelkmans, Lucas

2018-01-23

High-content imaging using automated microscopy and computer vision allows multivariate profiling of single-cell phenotypes. Here, we present methods for the application of the CISPR-Cas9 system in large-scale, image-based, gene perturbation experiments. We show that CRISPR-Cas9-mediated gene perturbation can be achieved in human tissue culture cells in a timeframe that is compatible with image-based phenotyping. We developed a pipeline to construct a large-scale arrayed library of 2,281 sequence-verified CRISPR-Cas9 targeting plasmids and profiled this library for genes affecting cellular morphology and the subcellular localization of components of the nuclear pore complex (NPC). We conceived a machine-learning method that harnesses genetic heterogeneity to score gene perturbations and identify phenotypically perturbed cells for in-depth characterization of gene perturbation effects. This approach enables genome-scale image-based multivariate gene perturbation profiling using CRISPR-Cas9. © 2018 The Authors. Published under the terms of the CC BY 4.0 license.

Efficient checkpointing schemes for depletion perturbation solutions on memory-limited architectures

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

Stripling, H. F.; Adams, M. L.; Hawkins, W. D.

2013-07-01

We describe a methodology for decreasing the memory footprint and machine I/O load associated with the need to access a forward solution during an adjoint solve. Specifically, we are interested in the depletion perturbation equations, where terms in the adjoint Bateman and transport equations depend on the forward flux solution. Checkpointing is the procedure of storing snapshots of the forward solution to disk and using these snapshots to recompute the parts of the forward solution that are necessary for the adjoint solve. For large problems, however, the storage cost of just a few copies of an angular flux vector canmore » exceed the available RAM on the host machine. We propose a methodology that does not checkpoint the angular flux vector; instead, we write and store converged source moments, which are typically of a much lower dimension than the angular flux solution. This reduces the memory footprint and I/O load of the problem, but requires that we perform single sweeps to reconstruct flux vectors on demand. We argue that this trade-off is exactly the kind of algorithm that will scale on advanced, memory-limited architectures. We analyze the cost, in terms of FLOPS and memory footprint, of five checkpointing schemes. We also provide computational results that support the analysis and show that the memory-for-work trade off does improve time to solution. (authors)« less

SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

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

Guo, Yang; Sivalingam, Kantharuban; Neese, Frank, E-mail: Frank.Neese@cec.mpg.de

2016-03-07

Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still twomore » important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling “partially contracted” NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient “electron pair prescreening” that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed comparison between the partial and strong contraction schemes is made, with conclusions that discourage the strong contraction scheme as a basis for local correlation methods due to its non-invariance with respect to rotations in the inactive and external subspaces. A minimal set of conservatively chosen truncation thresholds controls the accuracy of the method. With the default thresholds, about 99.9% of the canonical partially contracted NEVPT2 correlation energy is recovered while the crossover of the computational cost with the already very efficient canonical method occurs reasonably early; in linear chain type compounds at a chain length of around 80 atoms. Calculations are reported for systems with more than 300 atoms and 5400 basis functions.« less

Forward and inverse models of electromagnetic scattering from layered media with rough interfaces

NASA Astrophysics Data System (ADS)

Tabatabaeenejad, Seyed Alireza

This work addresses the problem of electromagnetic scattering from layered dielectric structures with rough boundaries and the associated inverse problem of retrieving the subsurface parameters of the structure using the scattered field. To this end, a forward scattering model based on the Small Perturbation Method (SPM) is developed to calculate the first-order spectral-domain bistatic scattering coefficients of a two-layer rough surface structure. SPM requires the boundaries to be slightly rough compared to the wavelength, but to understand the range of applicability of this method in scattering from two-layer rough surfaces, its region of validity is investigated by comparing its output with that of a first principle solver that does not impose roughness restrictions. The Method of Moments (MoM) is used for this purpose. Finally, for retrieval of the model parameters of the layered structure using scattered field, an inversion scheme based on the Simulated Annealing method is investigated and a strategy is proposed to address convergence to local minimum.

Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.

PubMed

Maurer, S A; Kussmann, J; Ochsenfeld, C

2014-08-07

We present a low-prefactor, cubically scaling scaled-opposite-spin second-order Møller-Plesset perturbation theory (SOS-MP2) method which is highly suitable for massively parallel architectures like graphics processing units (GPU). The scaling is reduced from O(N⁵) to O(N³) by a reformulation of the MP2-expression in the atomic orbital basis via Laplace transformation and the resolution-of-the-identity (RI) approximation of the integrals in combination with efficient sparse algebra for the 3-center integral transformation. In contrast to previous works that employ GPUs for post Hartree-Fock calculations, we do not simply employ GPU-based linear algebra libraries to accelerate the conventional algorithm. Instead, our reformulation allows to replace the rate-determining contraction step with a modified J-engine algorithm, that has been proven to be highly efficient on GPUs. Thus, our SOS-MP2 scheme enables us to treat large molecular systems in an accurate and efficient manner on a single GPU-server.

Short-term Operation of Multi-purpose Reservoir using Model Predictive Control

NASA Astrophysics Data System (ADS)

Uysal, Gokcen; Schwanenberg, Dirk; Alvarado Montero, Rodolfo; Sensoy, Aynur; Arda Sorman, Ali

2017-04-01

Operation of water structures especially with conflicting water supply and flood mitigation objectives is under more stress attributed to growing water demand and changing hydro-climatic conditions. Model Predictive Control (MPC) based optimal control solutions has been successfully applied to different water resources applications. In this study, Feedback Control (FBC) and MPC get combined and an improved joint optimization-simulation operating scheme is proposed. Water supply and flood control objectives are fulfilled by incorporating the long term water supply objectives into a time-dependent variable guide curve policy whereas the extreme floods are attenuated by means of short-term optimization based on MPC. A final experiment is carried out to assess the lead time performance and reliability of forecasts in a hindcasting experiment with imperfect, perturbed forecasts. The framework is tested in Yuvacık Dam reservoir where the main water supply reservoir of Kocaeli City in the northwestern part of Turkey (the Marmara region) and it requires a challenging gate operation due to restricted downstream flow conditions.

Optimal rotated staggered-grid finite-difference schemes for elastic wave modeling in TTI media

NASA Astrophysics Data System (ADS)

Yang, Lei; Yan, Hongyong; Liu, Hong

2015-11-01

The rotated staggered-grid finite-difference (RSFD) is an effective approach for numerical modeling to study the wavefield characteristics in tilted transversely isotropic (TTI) media. But it surfaces from serious numerical dispersion, which directly affects the modeling accuracy. In this paper, we propose two different optimal RSFD schemes based on the sampling approximation (SA) method and the least-squares (LS) method respectively to overcome this problem. We first briefly introduce the RSFD theory, based on which we respectively derive the SA-based RSFD scheme and the LS-based RSFD scheme. Then different forms of analysis are used to compare the SA-based RSFD scheme and the LS-based RSFD scheme with the conventional RSFD scheme, which is based on the Taylor-series expansion (TE) method. The contrast in numerical accuracy analysis verifies the greater accuracy of the two proposed optimal schemes, and indicates that these schemes can effectively widen the wavenumber range with great accuracy compared with the TE-based RSFD scheme. Further comparisons between these two optimal schemes show that at small wavenumbers, the SA-based RSFD scheme performs better, while at large wavenumbers, the LS-based RSFD scheme leads to a smaller error. Finally, the modeling results demonstrate that for the same operator length, the SA-based RSFD scheme and the LS-based RSFD scheme can achieve greater accuracy than the TE-based RSFD scheme, while for the same accuracy, the optimal schemes can adopt shorter difference operators to save computing time.

An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range

NASA Astrophysics Data System (ADS)

Gloor, Guy J.; Jackson, George; Blas, Felipe J.; del Río, Elvira Martín; de Miguel, Enrique

2004-12-01

A Helmholtz free energy density functional is developed to describe the vapor-liquid interface of associating chain molecules. The functional is based on the statistical associating fluid theory with attractive potentials of variable range (SAFT-VR) for the homogenous fluid [A. Gil-Villegas, A. Galindo, P. J. Whitehead, S. J. Mills, G. Jackson, and A. N. Burgess, J. Chem. Phys. 106, 4168 (1997)]. A standard perturbative density functional theory (DFT) is constructed by partitioning the free energy density into a reference term (which incorporates all of the short-range interactions, and is treated locally) and an attractive perturbation (which incorporates the long-range dispersion interactions). In our previous work [F. J. Blas, E. Martín del Río, E. de Miguel, and G. Jackson, Mol. Phys. 99, 1851 (2001); G. J. Gloor, F. J. Blas, E. Martín del Río, E. de Miguel, and G. Jackson, Fluid Phase Equil. 194, 521 (2002)] we used a mean-field version of the theory (SAFT-HS) in which the pair correlations were neglected in the attractive term. This provides only a qualitative description of the vapor-liquid interface, due to the inadequate mean-field treatment of the vapor-liquid equilibria. Two different approaches are used to include the correlations in the attractive term: in the first, the free energy of the homogeneous fluid is partitioned such that the effect of correlations are incorporated in the local reference term; in the second, a density averaged correlation function is incorporated into the perturbative term in a similar way to that proposed by Toxvaerd [S. Toxvaerd, J. Chem. Phys. 64, 2863 (1976)]. The latter is found to provide the most accurate description of the vapor-liquid surface tension on comparison with new simulation data for a square-well fluid of variable range. The SAFT-VR DFT is used to examine the effect of molecular chain length and association on the surface tension. Different association schemes (dimerization, straight and branched chain formation, and network structures) are examined separately. The surface tension of the associating fluid is found to be bounded between the nonassociating and fully associated limits (both of which correspond to equivalent nonassociating systems). The temperature dependence of the surface tension is found to depend strongly on the balance between the strength and range of the association, and on the particular association scheme. In the case of a system with a strong but very localized association interaction, the surface tension exhibits the characteristic "s shaped" behavior with temperature observed in fluids such as water and alkanols. The various types of curves observed in real substances can be reproduced by the theory. It is very gratifying that a DFT based on SAFT-VR free energy can provide an accurate quantitative description of the surface tension of both the model and experimental systems.

Stability of multifinger action in different state spaces

PubMed Central

Reschechtko, Sasha; Zatsiorsky, Vladimir M.

2014-01-01

We investigated stability of action by a multifinger system with three methods: analysis of intertrial variance, application of transient perturbations, and analysis of the system's motion in different state spaces. The “inverse piano” device was used to apply transient (lifting-and-lowering) perturbations to individual fingers during single- and two-finger accurate force production tasks. In each trial, the perturbation was applied either to a finger explicitly involved in the task or one that was not. We hypothesized that, in one-finger tasks, task-specific stability would be observed in the redundant space of finger forces but not in the nonredundant space of finger modes (commands to explicitly involved fingers). In two-finger tasks, we expected that perturbations applied to a nontask finger would not contribute to task-specific stability in mode space. In contrast to our expectations, analyses in both force and mode spaces showed lower stability in directions that did not change total force output compared with directions that did cause changes in total force. In addition, the transient perturbations led to a significant increase in the enslaving index. We consider these results within a theoretical scheme of control with referent body configurations organized hierarchically, using multiple few-to-many mappings organized in a synergic way. The observed volatility of enslaving, greater equifinality of total force compared with elemental variables, and large magnitude of motor equivalent motion in both force and mode spaces provide support for the concept of task-specific stability of performance and the existence of multiple neural loops, which ensure this stability. PMID:25253478

Can nudging be used to quantify model sensitivities in precipitation and cloud forcing?

NASA Astrophysics Data System (ADS)

Lin, Guangxing; Wan, Hui; Zhang, Kai; Qian, Yun; Ghan, Steven J.

2016-09-01

Efficient simulation strategies are crucial for the development and evaluation of high-resolution climate models. This paper evaluates simulations with constrained meteorology for the quantification of parametric sensitivities in the Community Atmosphere Model version 5 (CAM5). Two parameters are perturbed as illustrating examples: the convection relaxation time scale (TAU), and the threshold relative humidity for the formation of low-level stratiform clouds (rhminl). Results suggest that the fidelity of the constrained simulations depends on the detailed implementation of nudging and the mechanism through which the perturbed parameter affects precipitation and cloud. The relative computational costs of nudged and free-running simulations are determined by the magnitude of internal variability in the physical quantities of interest, as well as the magnitude of the parameter perturbation. In the case of a strong perturbation in convection, temperature, and/or wind nudging with a 6 h relaxation time scale leads to nonnegligible side effects due to the distorted interactions between resolved dynamics and parameterized convection, while 1 year free-running simulations can satisfactorily capture the annual mean precipitation and cloud forcing sensitivities. In the case of a relatively weak perturbation in the large-scale condensation scheme, results from 1 year free-running simulations are strongly affected by natural noise, while nudging winds effectively reduces the noise, and reasonably reproduces the sensitivities. These results indicate that caution is needed when using nudged simulations to assess precipitation and cloud forcing sensitivities to parameter changes in general circulation models. We also demonstrate that ensembles of short simulations are useful for understanding the evolution of model sensitivities.

Stability of multifinger action in different state spaces.

PubMed

Reschechtko, Sasha; Zatsiorsky, Vladimir M; Latash, Mark L

2014-12-15

We investigated stability of action by a multifinger system with three methods: analysis of intertrial variance, application of transient perturbations, and analysis of the system's motion in different state spaces. The "inverse piano" device was used to apply transient (lifting-and-lowering) perturbations to individual fingers during single- and two-finger accurate force production tasks. In each trial, the perturbation was applied either to a finger explicitly involved in the task or one that was not. We hypothesized that, in one-finger tasks, task-specific stability would be observed in the redundant space of finger forces but not in the nonredundant space of finger modes (commands to explicitly involved fingers). In two-finger tasks, we expected that perturbations applied to a nontask finger would not contribute to task-specific stability in mode space. In contrast to our expectations, analyses in both force and mode spaces showed lower stability in directions that did not change total force output compared with directions that did cause changes in total force. In addition, the transient perturbations led to a significant increase in the enslaving index. We consider these results within a theoretical scheme of control with referent body configurations organized hierarchically, using multiple few-to-many mappings organized in a synergic way. The observed volatility of enslaving, greater equifinality of total force compared with elemental variables, and large magnitude of motor equivalent motion in both force and mode spaces provide support for the concept of task-specific stability of performance and the existence of multiple neural loops, which ensure this stability. Copyright © 2014 the American Physiological Society.

Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry-adapted perturbation theory, Møller-Plesset, and quantum theory of atoms-in-molecules study.

PubMed

Yourdkhani, Sirous; Korona, Tatiana; Hadipour, Nasser L

2015-12-15

Intermolecular ternary complexes composed of: (1) the centrally placed trifluoroacetonitrile or its higher analogs with central carbon exchanged by silicon or germanium (M = C, Si, Ge), (2) the benzonitrile molecule or its para derivatives on one side, and (3) the boron trifluoride of trichloride molecule (X = F, Cl) on the opposite side as well as the corresponding intermolecular tetrel- and triel-bonded binary complexes, were investigated by symmetry-adapted perturbation theory (SAPT) and the supermolecular Møller-Plesset method (MP2) at the complete basis set limit for optimized geometries. A character of interactions was studied by quantum theory of atoms-in-molecules (QTAIM). A comparison of interaction energies and QTAIM bond descriptors for dimers and trimers reveals that tetrel and triel bonds increase in their strength if present together in the trimer. For the triel-bonded complex, this growth leads to a change of the bond character from closed-shell to partly covalent for Si or Ge tetrel atoms, so the resulting bonding scheme corresponds to a preliminary stage of the SN2 reaction. Limitations of the Lewis theory of acids and bases were shown by its failure in predicting the stability order of the triel complexes. The necessity of including interaction energy terms beyond the electrostatic component for an elucidation of the nature of σ- and π-holes was presented by a SAPT energy decomposition and by a study of differences in monomer electrostatic potentials obtained either from isolated monomer densities, or from densities resulting from a perturbation with the effective field of another monomer. © 2015 Wiley Periodicals, Inc.

Stochastic Coastal/Regional Uncertainty Modelling: a Copernicus marine research project in the framework of Service Evolution

NASA Astrophysics Data System (ADS)

Vervatis, Vassilios; De Mey, Pierre; Ayoub, Nadia; Kailas, Marios; Sofianos, Sarantis

2017-04-01

The project entitled Stochastic Coastal/Regional Uncertainty Modelling (SCRUM) aims at strengthening CMEMS in the areas of ocean uncertainty quantification, ensemble consistency verification and ensemble data assimilation. The project has been initiated by the University of Athens and LEGOS/CNRS research teams, in the framework of CMEMS Service Evolution. The work is based on stochastic modelling of ocean physics and biogeochemistry in the Bay of Biscay, on an identical sub-grid configuration of the IBI-MFC system in its latest CMEMS operational version V2. In a first step, we use a perturbed tendencies scheme to generate ensembles describing uncertainties in open ocean and on the shelf, focusing on upper ocean processes. In a second step, we introduce two methodologies (i.e. rank histograms and array modes) aimed at checking the consistency of the above ensembles with respect to TAC data and arrays. Preliminary results highlight that wind uncertainties dominate all other atmosphere-ocean sources of model errors. The ensemble spread in medium-range ensembles is approximately 0.01 m for SSH and 0.15 °C for SST, though these values vary depending on season and cross shelf regions. Ecosystem model uncertainties emerging from perturbations in physics appear to be moderately larger than those perturbing the concentration of the biogeochemical compartments, resulting in total chlorophyll spread at about 0.01 mg.m-3. First consistency results show that the model ensemble and the pseudo-ensemble of OSTIA (L4) observation SSTs appear to exhibit nonzero joint probabilities with each other since error vicinities overlap. Rank histograms show that the model ensemble is initially under-dispersive, though results improve in the context of seasonal-range ensembles.

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.

Selected Topics in Light Front Field Theory and Applications to the High Energy Phenomena

NASA Astrophysics Data System (ADS)

Kundu, Rajen

1999-10-01

In this thesis, we have presented some of the aspects of light-front (LF) field theory through their successful application in the Deep Inelastic Scattering (DIS). We have developed a LFQCD Hamiltonian description of the DIS structure functions starting from Bjorken-Johnson-Low limit of virtual forward Compton scattering amplitude and using LF current commutators. We worked in the LF gauge A^+=0 and used the old-fashioned LFQCD perturbation theory in our calculations. The importance of our work are summarized below. Our approach shares the intution of parton model and addresses directly the structure functions, which are experimental objects, instead of its moments as in OPE method. Moreover, it can potentially incorporate the non-perturbative contents of the structure functions as we have demonstrated by introducing a new factorization scheme. In the context of nucleonic helicity structure, the well known gauge fixed LF helicity operator is shown to provide consistent physical information and helps us defining new relevant structure functions. The anomalous dimensions relevant for the Q^2-evolution of such structure functions are calculated. Our study is important in establishing the equivalance of LF field theory and the usual equal-time one through perturbative calculations of the dressed parton structure functions reproducing the well known results. Also the importance of Gallilean boost symmetry in understanding the correctness of any higher order calculation using (x^+)-ordered LFQCD perturbation theory are emphasized.

An Assessment of the Subseasonal Forecast Performance in the Extended Global Ensemble Forecast System (GEFS)

NASA Astrophysics Data System (ADS)

Sinsky, E.; Zhu, Y.; Li, W.; Guan, H.; Melhauser, C.

2017-12-01

Optimal forecast quality is crucial for the preservation of life and property. Improving monthly forecast performance over both the tropics and extra-tropics requires attention to various physical aspects such as the representation of the underlying SST, model physics and the representation of the model physics uncertainty for an ensemble forecast system. This work focuses on the impact of stochastic physics, SST and the convection scheme on forecast performance for the sub-seasonal scale over the tropics and extra-tropics with emphasis on the Madden-Julian Oscillation (MJO). A 2-year period is evaluated using the National Centers for Environmental Prediction (NCEP) Global Ensemble Forecast System (GEFS). Three experiments with different configurations than the operational GEFS were performed to illustrate the impact of the stochastic physics, SST and convection scheme. These experiments are compared against a control experiment (CTL) which consists of the operational GEFS but its integration is extended from 16 to 35 days. The three configurations are: 1) SPs, which uses a Stochastically Perturbed Physics Tendencies (SPPT), Stochastic Perturbed Humidity (SHUM) and Stochastic Kinetic Energy Backscatter (SKEB); 2) SPs+SST_bc, which uses a combination of SPs and a bias-corrected forecast SST from the NCEP Climate Forecast System Version 2 (CFSv2); and 3) SPs+SST_bc+SA_CV, which combines SPs, a bias-corrected forecast SST and a scale aware convection scheme. When comparing to the CTL experiment, SPs shows substantial improvement. The MJO skill has improved by about 4 lead days during the 2-year period. Improvement is also seen over the extra-tropics due to the updated stochastic physics, where there is a 3.1% and a 4.2% improvement during weeks 3 and 4 over the northern hemisphere and southern hemisphere, respectively. Improvement is also seen when the bias-corrected CFSv2 SST is combined with SPs. Additionally, forecast performance enhances when the scale aware convection scheme (SPs+SST_bc+SA_CV) is added, especially over the tropics. Among the three experiments, the SPs+SST_bc+SA_CV is the best configuration in MJO forecast skill.

The HIRLAM fast radiation scheme for mesoscale numerical weather prediction models

NASA Astrophysics Data System (ADS)

Rontu, Laura; Gleeson, Emily; Räisänen, Petri; Pagh Nielsen, Kristian; Savijärvi, Hannu; Hansen Sass, Bent

2017-07-01

This paper provides an overview of the HLRADIA shortwave (SW) and longwave (LW) broadband radiation schemes used in the HIRLAM numerical weather prediction (NWP) model and available in the HARMONIE-AROME mesoscale NWP model. The advantage of broadband, over spectral, schemes is that they can be called more frequently within the model, without compromising on computational efficiency. In mesoscale models fast interactions between clouds and radiation and the surface and radiation can be of greater importance than accounting for the spectral details of clear-sky radiation; thus calling the routines more frequently can be of greater benefit than the deterioration due to loss of spectral details. Fast but physically based radiation parametrizations are expected to be valuable for high-resolution ensemble forecasting, because as well as the speed of their execution, they may provide realistic physical perturbations. Results from single-column diagnostic experiments based on CIRC benchmark cases and an evaluation of 10 years of radiation output from the FMI operational archive of HIRLAM forecasts indicate that HLRADIA performs sufficiently well with respect to the clear-sky downwelling SW and longwave LW fluxes at the surface. In general, HLRADIA tends to overestimate surface fluxes, with the exception of LW fluxes under cold and dry conditions. The most obvious overestimation of the surface SW flux was seen in the cloudy cases in the 10-year comparison; this bias may be related to using a cloud inhomogeneity correction, which was too large. According to the CIRC comparisons, the outgoing LW and SW fluxes at the top of atmosphere are mostly overestimated by HLRADIA and the net LW flux is underestimated above clouds. The absorption of SW radiation by the atmosphere seems to be underestimated and LW absorption seems to be overestimated. Despite these issues, the overall results are satisfying and work on the improvement of HLRADIA for the use in HARMONIE-AROME NWP system is ongoing. In a HARMONIE-AROME 3-D forecast experiment we have shown that the frequency of the call for the radiation parametrization and choice of the parametrization scheme makes a difference to the surface radiation fluxes and changes the spatial distribution of the vertically integrated cloud cover and precipitation.

Linear and nonlinear spectroscopy from quantum master equations.

PubMed

Fetherolf, Jonathan H; Berkelbach, Timothy C

2017-12-28

We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that even for systems with non-adiabatic coupling, the TCL2 master equation predicts linear absorption spectra that are accurate over an extremely broad range of parameters and well beyond what would be expected based on the perturbative nature of the approach; non-equilibrium population dynamics calculated with TCL2 for identical parameters are significantly less accurate. For third-order (two-dimensional) spectroscopy, the importance of population dynamics and the violation of the so-called quantum regression theorem degrade the accuracy of TCL2 dynamics. To correct these failures, we combine the TCL2 approach with a classical ensemble sampling of slow microscopic bath degrees of freedom, leading to an efficient hybrid quantum-classical scheme that displays excellent accuracy over a wide range of parameters. In the spectroscopic setting, the success of such a hybrid scheme can be understood through its separate treatment of homogeneous and inhomogeneous broadening. Importantly, the presented approach has the computational scaling of TCL2, with the modest addition of an embarrassingly parallel prefactor associated with ensemble sampling. The presented approach can be understood as a generalized inhomogeneous cumulant expansion technique, capable of treating multilevel systems with non-adiabatic dynamics.

Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

DOE PAGES

Hong, A. J.; Li, L.; He, R.; ...

2016-03-07

The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half- Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k codemore » and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Tidoped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. Lastly, the present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.« less

Linear and nonlinear spectroscopy from quantum master equations

NASA Astrophysics Data System (ADS)

Fetherolf, Jonathan H.; Berkelbach, Timothy C.

2017-12-01

We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that even for systems with non-adiabatic coupling, the TCL2 master equation predicts linear absorption spectra that are accurate over an extremely broad range of parameters and well beyond what would be expected based on the perturbative nature of the approach; non-equilibrium population dynamics calculated with TCL2 for identical parameters are significantly less accurate. For third-order (two-dimensional) spectroscopy, the importance of population dynamics and the violation of the so-called quantum regression theorem degrade the accuracy of TCL2 dynamics. To correct these failures, we combine the TCL2 approach with a classical ensemble sampling of slow microscopic bath degrees of freedom, leading to an efficient hybrid quantum-classical scheme that displays excellent accuracy over a wide range of parameters. In the spectroscopic setting, the success of such a hybrid scheme can be understood through its separate treatment of homogeneous and inhomogeneous broadening. Importantly, the presented approach has the computational scaling of TCL2, with the modest addition of an embarrassingly parallel prefactor associated with ensemble sampling. The presented approach can be understood as a generalized inhomogeneous cumulant expansion technique, capable of treating multilevel systems with non-adiabatic dynamics.

Dynamic modeling and Super-Twisting Sliding Mode Control for Tethered Space Robot

NASA Astrophysics Data System (ADS)

Zhao, Yakun; Huang, Panfeng; Zhang, Fan

2018-02-01

Recent years, tethered space capturing systems have been considered as one of the most promising solutions for active space debris removal due to the increasing threat of space debris to spacecraft and astronauts. In this paper, one of the tethered space capturing systems, Tethered Space Robot (TSR), is investigated. TSR includes a space platform, a space tether, and a gripper as the terminal device. Based on the assumptions that the platform and the gripper are point masses and the tether is rigid, inextensible and remaining straight, the dynamic model of TSR is presented, in which the disturbances from space environment is considered. According to the previous study, the in-plane and out-of-plane angles of the tether oscillate periodically although the tether is released to the desired length. A super-twisting adaptive sliding mode control scheme is designed for TSR to eliminate the vibration of the tether to assure a successful capture in station-keeping phase. Both uncontrolled and controlled situations are simulated. The simulation results show that the proposed controller is effective. Additionally, after comparing with normal sliding mode control algorithm, it is verified that the proposed control scheme can avoid the chattering of normal sliding mode control and is robust for unknown boundary perturbations.

Frontiers of Two-Dimensional Correlation Spectroscopy. Part 1. New concepts and noteworthy developments

NASA Astrophysics Data System (ADS)

Noda, Isao

2014-07-01

A comprehensive survey review of new and noteworthy developments, which are advancing forward the frontiers in the field of 2D correlation spectroscopy during the last four years, is compiled. This review covers books, proceedings, and review articles published on 2D correlation spectroscopy, a number of significant conceptual developments in the field, data pretreatment methods and other pertinent topics, as well as patent and publication trends and citation activities. Developments discussed include projection 2D correlation analysis, concatenated 2D correlation, and correlation under multiple perturbation effects, as well as orthogonal sample design, predicting 2D correlation spectra, manipulating and comparing 2D spectra, correlation strategy based on segmented data blocks, such as moving-window analysis, features like determination of sequential order and enhanced spectral resolution, statistical 2D spectroscopy using covariance and other statistical metrics, hetero-correlation analysis, and sample-sample correlation technique. Data pretreatment operations prior to 2D correlation analysis are discussed, including the correction for physical effects, background and baseline subtraction, selection of reference spectrum, normalization and scaling of data, derivatives spectra and deconvolution technique, and smoothing and noise reduction. Other pertinent topics include chemometrics and statistical considerations, peak position shift phenomena, variable sampling increments, computation and software, display schemes, such as color coded format, slice and power spectra, tabulation, and other schemes.

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

Santos, O. L.; Fonseca, T. L., E-mail: tertius@ufg.br; Sabino, J. R.

We present theoretical results for the dipole moment, linear polarizability, and first hyperpolarizability of the urea and thiourea molecules in solid phase. The in-crystal electric properties were determined by applying a supermolecule approach in combination with an iterative electrostatic scheme, in which the surrounding molecules are represented by point charges. It is found for both urea and thiourea molecules that the influence of the polarization effects is mild for the linear polarizability, but it is marked for the dipole moment and first hyperpolarizability. The replacement of oxygen atoms by sulfur atoms increases, in general, the electric responses. Our second-order Møller–Plessetmore » perturbation theory based iterative scheme predicts for the in-crystal dipole moment of urea and thiourea the values of 7.54 and 9.19 D which are, respectively, increased by 61% and 58%, in comparison with the corresponding isolated values. The result for urea is in agreement with the available experimental result of 6.56 D. In addition, we present an estimate of macroscopic quantities considering explicit unit cells of urea and thiourea crystals including environment polarization effects. These supermolecule calculations take into account partially the exchange and dispersion effects. The results illustrate the role played by the electrostatic interactions on the static second-order nonlinear susceptibility of the urea crystal.« less

Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

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

Hong, A. J.; Li, L.; He, R.

The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half- Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k codemore » and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Tidoped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. Lastly, the present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.« less

Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: Evaluation of first-order electrical properties

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

Datta, Dipayan, E-mail: datta@uni-mainz.de; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

2014-09-14

An analytic scheme is presented for the evaluation of first derivatives of the energy for a unitary group based spin-adapted coupled cluster (CC) theory, namely, the combinatoric open-shell CC (COSCC) approach within the singles and doubles approximation. The widely used Lagrange multiplier approach is employed for the derivation of an analytical expression for the first derivative of the energy, which in combination with the well-established density-matrix formulation, is used for the computation of first-order electrical properties. Derivations of the spin-adapted lambda equations for determining the Lagrange multipliers and the expressions for the spin-free effective density matrices for the COSCC approachmore » are presented. Orbital-relaxation effects due to the electric-field perturbation are treated via the Z-vector technique. We present calculations of the dipole moments for a number of doublet radicals in their ground states using restricted open-shell Hartree-Fock (ROHF) and quasi-restricted HF (QRHF) orbitals in order to demonstrate the applicability of our analytic scheme for computing energy derivatives. We also report calculations of the chlorine electric-field gradients and nuclear quadrupole-coupling constants for the CCl, CH{sub 2}Cl, ClO{sub 2}, and SiCl radicals.« less

Effect of a perturbation-based balance training program on compensatory stepping and grasping reactions in older adults: a randomized controlled trial.

PubMed

Mansfield, Avril; Peters, Amy L; Liu, Barbara A; Maki, Brian E

2010-04-01

Compensatory stepping and grasping reactions are prevalent responses to sudden loss of balance and play a critical role in preventing falls. The ability to execute these reactions effectively is impaired in older adults. The purpose of this study was to evaluate a perturbation-based balance training program designed to target specific age-related impairments in compensatory stepping and grasping balance recovery reactions. This was a double-blind randomized controlled trial. The study was conducted at research laboratories in a large urban hospital. Thirty community-dwelling older adults (aged 64-80 years) with a recent history of falls or self-reported instability participated in the study. Participants were randomly assigned to receive either a 6-week perturbation-based (motion platform) balance training program or a 6-week control program involving flexibility and relaxation training. Features of balance reactions targeted by the perturbation-based program were: (1) multi-step reactions, (2) extra lateral steps following anteroposterior perturbations, (3) foot collisions following lateral perturbations, and (4) time to complete grasping reactions. The reactions were evoked during testing by highly unpredictable surface translation and cable pull perturbations, both of which differed from the perturbations used during training. /b> Compared with the control program, the perturbation-based training led to greater reductions in frequency of multi-step reactions and foot collisions that were statistically significant for surface translations but not cable pulls. The perturbation group also showed significantly greater reduction in handrail contact time compared with the control group for cable pulls and a possible trend in this direction for surface translations. Further work is needed to determine whether a maintenance program is needed to retain the training benefits and to assess whether these benefits reduce fall risk in daily life. Perturbation-based training shows promise as an effective intervention to improve the ability of older adults to prevent themselves from falling when they lose their balance.

Accurate bond energies of hydrocarbons from complete basis set extrapolated multi-reference singles and doubles configuration interaction.

PubMed

Oyeyemi, Victor B; Pavone, Michele; Carter, Emily A

2011-12-09

Quantum chemistry has become one of the most reliable tools for characterizing the thermochemical underpinnings of reactions, such as bond dissociation energies (BDEs). The accurate prediction of these particular properties (BDEs) are challenging for ab initio methods based on perturbative corrections or coupled cluster expansions of the single-determinant Hartree-Fock wave function: the processes of bond breaking and forming are inherently multi-configurational and require an accurate description of non-dynamical electron correlation. To this end, we present a systematic ab initio approach for computing BDEs that is based on three components: 1) multi-reference single and double excitation configuration interaction (MRSDCI) for the electronic energies; 2) a two-parameter scheme for extrapolating MRSDCI energies to the complete basis set limit; and 3) DFT-B3LYP calculations of minimum-energy structures and vibrational frequencies to account for zero point energy and thermal corrections. We validated our methodology against a set of reliable experimental BDE values of CC and CH bonds of hydrocarbons. The goal of chemical accuracy is achieved, on average, without applying any empirical corrections to the MRSDCI electronic energies. We then use this composite scheme to make predictions of BDEs in a large number of hydrocarbon molecules for which there are no experimental data, so as to provide needed thermochemical estimates for fuel molecules. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Soliton-induced relativistic-scattering and amplification.

PubMed

Rubino, E; Lotti, A; Belgiorno, F; Cacciatori, S L; Couairon, A; Leonhardt, U; Faccio, D

2012-01-01

Solitons are of fundamental importance in photonics due to applications in optical data transmission and also as a tool for investigating novel phenomena ranging from light generation at new frequencies and wave-trapping to rogue waves. Solitons are also moving scatterers: they generate refractive index perturbations moving at the speed of light. Here we found that such perturbations scatter light in an unusual way: they amplify light by the mixing of positive and negative frequencies, as we describe using a first Born approximation and numerical simulations. The simplest scenario in which these effects may be observed is within the initial stages of optical soliton propagation: a steep shock front develops that may efficiently scatter a second, weaker probe pulse into relatively intense positive and negative frequency modes with amplification at the expense of the soliton. Our results show a novel all-optical amplification scheme that relies on soliton induced scattering.

Dynamic characteristics of a hydrostatic gas bearing driven by oscillating exhaust pressure

NASA Technical Reports Server (NTRS)

Watkins, C. B.; Eronini, I. E.; Branch, H. D.

1984-01-01

Vibration of a statically loaded, inherently compensated hydrostatic journal bearing due to oscillating exhaust pressure is investigated. Both angular and radial vibration modes are analyzed. The time-dependent Reynolds equation governing the pressure distribution between the oscillating journal and sleeve is solved together with the journal equation of motion to obtain the response characteristics of the bearing. The Reynolds equation and the equation of motion are simplified by applying regular perturbation theory for small displacements. The numerical solutions of the perturbation equations are obtained by discretizing the pressure field using finite-difference aproximations with a discrete, nonuniform line-source model which excludes effects due to feeding hole volume. An iterative scheme is used to simultaneously satisfy the equations of motion for the journal. The results presented include Bode plots of bearing-oscillation gain and phase for a particular bearing configuration for various combinations of parameters over a range of frequencies, including the resonant frequency.

Stochastic Modelling, Analysis, and Simulations of the Solar Cycle Dynamic Process

NASA Astrophysics Data System (ADS)

Turner, Douglas C.; Ladde, Gangaram S.

2018-03-01

Analytical solutions, discretization schemes and simulation results are presented for the time delay deterministic differential equation model of the solar dynamo presented by Wilmot-Smith et al. In addition, this model is extended under stochastic Gaussian white noise parametric fluctuations. The introduction of stochastic fluctuations incorporates variables affecting the dynamo process in the solar interior, estimation error of parameters, and uncertainty of the α-effect mechanism. Simulation results are presented and analyzed to exhibit the effects of stochastic parametric volatility-dependent perturbations. The results generalize and extend the work of Hazra et al. In fact, some of these results exhibit the oscillatory dynamic behavior generated by the stochastic parametric additative perturbations in the absence of time delay. In addition, the simulation results of the modified stochastic models influence the change in behavior of the very recently developed stochastic model of Hazra et al.

Orbital stability of the unseen solar companion linked to periodic extinction events

NASA Technical Reports Server (NTRS)

Torbett, M. V.; Smoluchowski, R.

1984-01-01

Evidence from three-dimensional numerical modelling is presented that only cometary orbits with a limited range in inclination with respect to the galactic plane are formally stable for the length of time required to cause periodic extinction events. The calculations were done using Cowell's method employing a fourth-order Runge-Kutta integration scheme in an inertial reference frame in orbit about the Galaxy. Tidal perturbations in the radial direction due to the Galaxy and the Coriolis forces are included. The vertical component of the gravitational field of the galactic disk is superimposed on these forces. The results indicate that orbits for Nemesis that are inclined at more than 30 deg to the galactic plane are not allowed and suggests that the search for Nemesis should be concentrated toward the plane of the Galaxy. Perturbations by passing stars or molecular clouds may make even the low-inclination orbits unstable.

Self-consistent hybrid functionals for solids: a fully-automated implementation

NASA Astrophysics Data System (ADS)

Erba, A.

2017-08-01

A fully-automated algorithm for the determination of the system-specific optimal fraction of exact exchange in self-consistent hybrid functionals of the density-functional-theory is illustrated, as implemented into the public Crystal program. The exchange fraction of this new class of functionals is self-consistently updated proportionally to the inverse of the dielectric response of the system within an iterative procedure (Skone et al 2014 Phys. Rev. B 89, 195112). Each iteration of the present scheme, in turn, implies convergence of a self-consistent-field (SCF) and a coupled-perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) procedure. The present implementation, beside improving the user-friendliness of self-consistent hybrids, exploits the unperturbed and electric-field perturbed density matrices from previous iterations as guesses for subsequent SCF and CPHF/KS iterations, which is documented to reduce the overall computational cost of the whole process by a factor of 2.

Two-nucleon S10 amplitude zero in chiral effective field theory

NASA Astrophysics Data System (ADS)

Sánchez, M. Sánchez; Yang, C.-J.; Long, Bingwei; van Kolck, U.

2018-02-01

We present a new rearrangement of short-range interactions in the S10 nucleon-nucleon channel within chiral effective field theory. This is intended to address the slow convergence of Weinberg's scheme, which we attribute to its failure to reproduce the amplitude zero (scattering momentum ≃340 MeV) at leading order. After the power counting scheme is modified to accommodate the zero at leading order, it includes subleading corrections perturbatively in a way that is consistent with renormalization-group invariance. Systematic improvement is shown at next-to-leading order, and we obtain results that fit empirical phase shifts remarkably well all the way up to the pion-production threshold. An approach in which pions have been integrated out is included, which allows us to derive analytic results that also fit phenomenology surprisingly well.

Differential cross sections of D*+/- photoproduction in ep collisions at HERA

NASA Astrophysics Data System (ADS)

Breitweg, J.; Derrick, M.; Krakauer, D.; Magill, S.; Mikunas, D.; Musgrave, B.; Repond, J.; Stanek, R.; Talaga, R. L.; Yoshida, R.; Zhang, H.; Mattingly, M. C. K.; Anselmo, F.; Antonioli, P.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Romeo, G. Cara; Castellini, G.; Cifarelli, L.; Cindolo, F.; Contin, A.; Corradi, M.; Gialas, I.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Margotti, A.; Massam, T.; Nania, R.; Palmonari, F.; de Pasquale, S.; Pesci, A.; Polini, A.; Sartorelli, G.; Garcia, Y. Zamora; Zichichi, A.; Amelung, C.; Bornheim, A.; Brock, I.; Coböken, K.; Crittenden, J.; Deffner, R.; Eckert, M.; Feld, L.; Grothe, M.; Hartmann, H.; Heinloth, K.; Heinz, L.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Paul, E.; Pfeiffer, M.; Rembser, Ch.; Stamm, J.; Wedemeyer, R.; Bailey, D. S.; Campbell-Robson, S.; Cottingham, W. N.; Foster, B.; Hall-Wilton, R.; Hayes, M. E.; Heath, G. P.; Heath, H. F.; Piccioni, D.; Roff, D. G.; Tapper, R. J.; Arneodo, M.; Ayad, R.; Capua, M.; Garfagnini, A.; Iannotti, L.; Schioppa, M.; Susinno, G.; Kim, J. Y.; Lee, J. H.; Lim, I. T.; Pac, M. Y.; Caldwell, A.; Cartiglia, N.; Jing, Z.; Liu, W.; Parsons, J. A.; Ritz, S.; Sampson, S.; Sciulli, F.; Straub, P. B.; Zhu, Q.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Jakubowski, Z.; Przybycień, M. B.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Przybycień, M.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajac, J.; Duliński, Z.; Kotański, A.; Kotański, A.; Abbiendi, G.; Abramowicz, H.; Bauerdick, L. A. T.; Behrens, U.; Beier, H.; Bienlein, J. K.; Cases, G.; Deppe, O.; Desler, K.; Drews, G.; Gilkinson, D. J.; Glasman, C.; Göttlicher, P.; Große-Knetter, J.; Haas, T.; Hain, W.; Hasell, D.; Heßling, H.; Iga, Y.; Johnson, K. F.; Kasemann, M.; Koch, W.; Kötz, U.; Kowalski, H.; Labs, J.; Lindemann, L.; Löhr, B.; Löwe, M.; Mainusch, J.; Mańczak, O.; Milewski, J.; Monteiro, T.; Ng, J. S. T.; Notz, D.; Ohrenberg, K.; Park, I. H.; Pellegrino, A.; Pelucchi, F.; Piotrzkowski, K.; Roco, M.; Rohde, M.; Roldán, J.; Savin, A. A.; Schneekloth, U.; Schulz, W.; Selonke, F.; Surrow, B.; Tassi, E.; Voß, T.; Westphal, D.; Wolf, G.; Wollmer, U.; Youngman, C.; Żarnecki, A. F.; Zeuner, W.; Burow, B. D.; Grabosch, H. J.; Meyer, A.; Schlenstedt, S.; Barbagli, G.; Gallo, E.; Pelfer, P.; Maccarrone, G.; Votano, L.; Bamberger, A.; Eisenhardt, S.; Markun, P.; Trefzger, T.; Wölfle, S.; Bromley, J. T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Saxon, D. H.; Sinclair, L. E.; Strickland, E.; Utley, M. L.; Waugh, R.; Wilson, A. S.; Bohnet, I.; Gendner, N.; Holm, U.; Meyer-Larsen, A.; Salehi, H.; Wick, K.; Gladilin, L. K.; Klanner, R.; Lohrmann, E.; Poelz, G.; Schott, W.; Zetsche, F.; Bacon, T. C.; Butterworth, I.; Cole, J. E.; Harris, V. L.; Howell, G.; Hung, B. H. Y.; Lamberti, L.; Long, K. R.; Miller, D. B.; Pavel, N.; Prinias, A.; Sedgbeer, J. K.; Sideris, D.; Whitfield, A. F.; Mallik, U.; Wang, S. M.; Wu, J. T.; Cloth, P.; Filges, D.; An, S. H.; Lee, S. B.; Nam, S. W.; Park, H. S.; Park, S. K.; Barreiro, F.; Fernandez, J. P.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; Martinez, M.; del Peso, J.; Puga, J.; Terron, J.; de Trocóniz, J. F.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Murray, W. N.; Ochs, A.; Riveline, M.; Stairs, D. G.; St-Laurent, M.; Ullmann, R.; Tsurugai, T.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Golubkov, Yu. A.; Kobrin, V. D.; Korzhavina, I. A.; Kuzmin, V. A.; Lukina, O. Yu.; Proskuryakov, A. S.; Shcheglova, L. M.; Solomin, A. N.; Zotov, N. P.; Bokel, C.; Botje, M.; Brümmer, N.; Chlebana, F.; Engelen, J.; de Kamps, M.; Kooijman, P.; Kruse, A.; van Sighem, A.; Tiecke, H.; Verkerke, W.; Vossebeld, J.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Gilmore, J.; Ginsburg, C. M.; Kim, C. L.; Ling, T. Y.; Nylander, P.; Romanowski, T. A.; Blaikley, H. E.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Devenish, R. C. E.; Edmonds, J. K.; Harnew, N.; Lancaster, M.; McFall, J. D.; Nath, C.; Noyes, V. A.; Quadt, A.; Tickner, J. R.; Uijterwaal, H.; Walczak, R.; Waters, D. S.; Yip, T.; Bertolin, A.; Brugnera, R.; Carlin, R.; dal Corso, F.; Dosselli, U.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Feild, R. G.; Oh, B. Y.; Okrasiński, J. R.; Whitmore, J. J.; D'Agostini, G.; Marini, G.; Nigro, A.; Hart, J. C.; McCubbin, N. A.; Shah, T. P.; Barberis, E.; Dubbs, T.; Heusch, C.; van Hook, M.; Lockman, W.; Rahn, J. T.; Sadrozinski, H. F.-W.; Seiden, A.; Williams, D. C.; Schwarzer, O.; Walenta, A. H.; Briskin, G.; Dagan, S.; Doeker, T.; Levy, A.; Abe, T.; Fleck, J. I.; Inuzuka, M.; Ishii, T.; Kuze, M.; Nagano, K.; Nakao, M.; Suzuki, I.; Tokushuku, K.; Umemori, K.; Yamada, S.; Yamazaki, Y.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Matsushita, T.; Yamauchi, K.; Cirio, R.; Costa, M.; Ferrero, M. I.; Maselli, S.; Monaco, V.; Peroni, C.; Petrucci, M. C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Brkic, M.; Fagerstroem, C.-P.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Polenz, S.; Sampson, C. R.; Simmons, D.; Teuscher, R. J.; Butterworth, J. M.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. L.; Shulman, J.; Sutton, M. R.; Lu, B.; Mo, L. W.; Ciborowski, J.; Grzelak, G.; Kasprzak, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Pawlak, R.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Adamus, M.; Coldewey, C.; Eisenberg, Y.; Hochman, D.; Karshon, U.; Revel, D.; Zer-Zion, D.; Badgett, W. F.; Chapin, D.; Cross, R.; Dasu, S.; Foudas, C.; Loveless, R. J.; Mattingly, S.; Reeder, D. D.; Smith, W. H.; Vaiciulis, A.; Wodarczyk, M.; Bhadra, S.; Frisken, W. R.; Khakzad, M.; Schmidke, W. B.

1997-02-01

Inclusive photoproduction of D*+/- in ep collisions at HERA has been measured with the ZEUS detector for photon-proton centre of mass energies in the range 115 < W < 280 GeV and photon virtuality Q2 < 4 GeV2. The cross section σep -> D* X integrated over the kinematic region pD*⊥ > 3 GeV and -1.5 < ηD* < 1.0 is (10.6 +/- 1.7 (stat.) +/-1.61.3 (syst.)) nb. Differential cross sections as functions of pD*⊥, ηD* and W are given. The data are compared with two next-to-leading order perturbative QCD predictions. For a calculation using a massive charm scheme the predicted cross sections are smaller than the measured ones. A recent calculation using a massless charm scheme is in agreement with the data.

Interferometer design and controls for pulse stacking in high power fiber lasers

NASA Astrophysics Data System (ADS)

Wilcox, Russell; Yang, Yawei; Dahlen, Dar; Xu, Yilun; Huang, Gang; Qiang, Du; Doolittle, Lawrence; Byrd, John; Leemans, Wim; Ruppe, John; Zhou, Tong; Sheikhsofla, Morteza; Nees, John; Galvanauskas, Almantas; Dawson, Jay; Chen, Diana; Pax, Paul

2017-03-01

In order to develop a design for a laser-plasma accelerator (LPA) driver, we demonstrate key technologies that enable fiber lasers to produce high energy, ultrafast pulses. These technologies must be scalable, and operate in the presence of thermal drift, acoustic noise, and other perturbations typical of an operating system. We show that coherent pulse stacking (CPS), which requires optical interferometers, can be made robust by image-relaying, multipass optical cavities, and by optical phase control schemes that sense pulse train amplitudes from each cavity. A four-stage pulse stacking system using image-relaying cavities is controlled for 14 hours using a pulse-pattern sensing algorithm. For coherent addition of simultaneous ultrafast pulses, we introduce a new scheme using diffractive optics, and show experimentally that four pulses can be added while a preserving pulse width of 128 fs.

Analysis of novel stochastic switched SILI epidemic models with continuous and impulsive control

NASA Astrophysics Data System (ADS)

Gao, Shujing; Zhong, Deming; Zhang, Yan

2018-04-01

In this paper, we establish two new stochastic switched epidemic models with continuous and impulsive control. The stochastic perturbations are considered for the natural death rate in each equation of the models. Firstly, a stochastic switched SILI model with continuous control schemes is investigated. By using Lyapunov-Razumikhin method, the sufficient conditions for extinction in mean are established. Our result shows that the disease could be die out theoretically if threshold value R is less than one, regardless of whether the disease-free solutions of the corresponding subsystems are stable or unstable. Then, a stochastic switched SILI model with continuous control schemes and pulse vaccination is studied. The threshold value R is derived. The global attractivity of the model is also obtained. At last, numerical simulations are carried out to support our results.

Geometric integration in Born-Oppenheimer molecular dynamics.

PubMed

Odell, Anders; Delin, Anna; Johansson, Börje; Cawkwell, Marc J; Niklasson, Anders M N

2011-12-14

Geometric integration schemes for extended Lagrangian self-consistent Born-Oppenheimer molecular dynamics, including a weak dissipation to remove numerical noise, are developed and analyzed. The extended Lagrangian framework enables the geometric integration of both the nuclear and electronic degrees of freedom. This provides highly efficient simulations that are stable and energy conserving even under incomplete and approximate self-consistent field (SCF) convergence. We investigate three different geometric integration schemes: (1) regular time reversible Verlet, (2) second order optimal symplectic, and (3) third order optimal symplectic. We look at energy conservation, accuracy, and stability as a function of dissipation, integration time step, and SCF convergence. We find that the inclusion of dissipation in the symplectic integration methods gives an efficient damping of numerical noise or perturbations that otherwise may accumulate from finite arithmetics in a perfect reversible dynamics. © 2011 American Institute of Physics

One-loop corrections to light cone wave functions: The dipole picture DIS cross section

NASA Astrophysics Data System (ADS)

Hänninen, H.; Lappi, T.; Paatelainen, R.

2018-06-01

We develop methods to perform loop calculations in light cone perturbation theory using a helicity basis, refining the method introduced in our earlier work. In particular this includes implementing a consistent way to contract the four-dimensional tensor structures from the helicity vectors with d-dimensional tensors arising from loop integrals, in a way that can be fully automatized. We demonstrate this explicitly by calculating the one-loop correction to the virtual photon to quark-antiquark dipole light cone wave function. This allows us to calculate the deep inelastic scattering cross section in the dipole formalism to next-to-leading order accuracy. Our results, obtained using the four dimensional helicity scheme, agree with the recent calculation by Beuf using conventional dimensional regularization, confirming the regularization scheme independence of this cross section.

Neutral kaon mixing beyond the Standard Model with n f = 2 + 1 chiral fermions. Part 2: non perturbative renormalisation of the ΔF = 2 four-quark operators

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

Boyle, Peter A.; Garron, Nicolas; Hudspith, Renwick J.

We compute the renormalisation factors (Z-matrices) of the ΔF = 2 four-quark operators needed for Beyond the Standard Model (BSM) kaon mixing. We work with nf = 2+1 flavours of Domain-Wall fermions whose chiral-flavour properties are essential to maintain a continuum-like mixing pattern. We introduce new RI-SMOM renormalisation schemes, which we argue are better behaved compared to the commonly-used corresponding RI-MOM one. We find that, once converted to MS¯, the Z-factors computed through these RI-SMOM schemes are in good agreement but differ significantly from the ones computed through the RI-MOM scheme. The RI-SMOM Z-factors presented here have been used tomore » compute the BSM neutral kaon mixing matrix elements in the companion paper. In conclusion, we argue that the renormalisation procedure is responsible for the discrepancies observed by different collaborations, we will investigate and elucidate the origin of these differences throughout this work.« less

Entropy Splitting for High Order Numerical Simulation of Vortex Sound at Low Mach Numbers

NASA Technical Reports Server (NTRS)

Mueller, B.; Yee, H. C.; Mansour, Nagi (Technical Monitor)

2001-01-01

A method of minimizing numerical errors, and improving nonlinear stability and accuracy associated with low Mach number computational aeroacoustics (CAA) is proposed. The method consists of two levels. From the governing equation level, we condition the Euler equations in two steps. The first step is to split the inviscid flux derivatives into a conservative and a non-conservative portion that satisfies a so called generalized energy estimate. This involves the symmetrization of the Euler equations via a transformation of variables that are functions of the physical entropy. Owing to the large disparity of acoustic and stagnation quantities in low Mach number aeroacoustics, the second step is to reformulate the split Euler equations in perturbation form with the new unknowns as the small changes of the conservative variables with respect to their large stagnation values. From the numerical scheme level, a stable sixth-order central interior scheme with a third-order boundary schemes that satisfies the discrete analogue of the integration-by-parts procedure used in the continuous energy estimate (summation-by-parts property) is employed.

Neutral kaon mixing beyond the Standard Model with n f = 2 + 1 chiral fermions. Part 2: non perturbative renormalisation of the ΔF = 2 four-quark operators

DOE PAGES

Boyle, Peter A.; Garron, Nicolas; Hudspith, Renwick J.; ...

2017-10-10

We compute the renormalisation factors (Z-matrices) of the ΔF = 2 four-quark operators needed for Beyond the Standard Model (BSM) kaon mixing. We work with nf = 2+1 flavours of Domain-Wall fermions whose chiral-flavour properties are essential to maintain a continuum-like mixing pattern. We introduce new RI-SMOM renormalisation schemes, which we argue are better behaved compared to the commonly-used corresponding RI-MOM one. We find that, once converted to MS¯, the Z-factors computed through these RI-SMOM schemes are in good agreement but differ significantly from the ones computed through the RI-MOM scheme. The RI-SMOM Z-factors presented here have been used tomore » compute the BSM neutral kaon mixing matrix elements in the companion paper. In conclusion, we argue that the renormalisation procedure is responsible for the discrepancies observed by different collaborations, we will investigate and elucidate the origin of these differences throughout this work.« less

A conservative scheme of drift kinetic electrons for gyrokinetic simulation of kinetic-MHD processes in toroidal plasmas

NASA Astrophysics Data System (ADS)

Bao, J.; Liu, D.; Lin, Z.

2017-10-01

A conservative scheme of drift kinetic electrons for gyrokinetic simulations of kinetic-magnetohydrodynamic processes in toroidal plasmas has been formulated and verified. Both vector potential and electron perturbed distribution function are decomposed into adiabatic part with analytic solution and non-adiabatic part solved numerically. The adiabatic parallel electric field is solved directly from the electron adiabatic response, resulting in a high degree of accuracy. The consistency between electrostatic potential and parallel vector potential is enforced by using the electron continuity equation. Since particles are only used to calculate the non-adiabatic response, which is used to calculate the non-adiabatic vector potential through Ohm's law, the conservative scheme minimizes the electron particle noise and mitigates the cancellation problem. Linear dispersion relations of the kinetic Alfvén wave and the collisionless tearing mode in cylindrical geometry have been verified in gyrokinetic toroidal code simulations, which show that the perpendicular grid size can be larger than the electron collisionless skin depth when the mode wavelength is longer than the electron skin depth.

Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.

PubMed

Bachorz, Rafał A; Klopper, Wim; Gutowski, Maciej

2007-02-28

A valence-type anion of the canonical tautomer of uracil has been characterized using explicitly correlated second-order Moller-Plesset perturbation theory (RI-MP2-R12) in conjunction with conventional coupled-cluster theory with single, double, and perturbative triple excitations. At this level of electron-correlation treatment and after inclusion of a zero-point vibrational energy correction, determined in the harmonic approximation at the RI-MP2 level of theory, the valence anion is adiabatically stable with respect to the neutral molecule by 40 meV. The anion is characterized by a vertical detachment energy of 0.60 eV. To obtain accurate estimates of the vertical and adiabatic electron binding energies, a scheme was applied in which electronic energy contributions from various levels of theory were added, each of them extrapolated to the corresponding basis-set limit. The MP2 basis-set limits were also evaluated using an explicitly correlated approach, and the results of these calculations are in agreement with the extrapolated values. A remarkable feature of the valence anionic state is that the adiabatic electron binding energy is positive but smaller than the adiabatic electron binding energy of the dipole-bound state.

Extended analytical formulas for the perturbed Keplerian motion under a constant control acceleration

NASA Astrophysics Data System (ADS)

Zuiani, Federico; Vasile, Massimiliano

2015-03-01

This paper presents a set of analytical formulae for the perturbed Keplerian motion of a spacecraft under the effect of a constant control acceleration. The proposed set of formulae can treat control accelerations that are fixed in either a rotating or inertial reference frame. Moreover, the contribution of the zonal harmonic is included in the analytical formulae. It will be shown that the proposed analytical theory allows for the fast computation of long, multi-revolution spirals while maintaining good accuracy. The combined effect of different perturbations and of the shadow regions due to solar eclipse is also included. Furthermore, a simplified control parameterisation is introduced to optimise thrusting patterns with two thrust arcs and two cost arcs per revolution. This simple parameterisation is shown to ensure enough flexibility to describe complex low thrust spirals. The accuracy and speed of the proposed analytical formulae are compared against a full numerical integration with different integration schemes. An averaging technique is then proposed as an application of the analytical formulae. Finally, the paper presents an example of design of an optimal low-thrust spiral to transfer a spacecraft from an elliptical to a circular orbit around the Earth.

A perturbative correction for electron-inertia in magnetized sheath structures

NASA Astrophysics Data System (ADS)

Gohain, Munmi; Karmakar, Pralay K.

2016-10-01

We propose a hydrodynamic model to study the equilibrium properties of planar plasma sheaths in two-component quasi-neutral magnetized plasmas. It includes weak but finite electron-inertia incorporated via a regular perturbation of the electronic fluid dynamics only relative to a new smallness parameter, δ, assessing the weak inertial-to-electromagnetic strengths. The zeroth-order perturbation around δ leads to the usual Boltzmann distribution law, which describes inertialess thermalized electrons. The forthwith next higher-order yields the modified Boltzmann law describing the putative lowest-order electron-inertial correction, which is applied meticulously to derive the local Bohm criterion for sheath formation. It is found to be influenced jointly by electron-inertial corrective effects, magnetic field and field orientation relative to the bulk plasma flow. We establish that the mutualistic action of electron-inertia amid gyro-kinetic effects slightly enhances the ion-flow Mach threshold value (typically, M i0 ⩾ 1.140), against the normal value of unity, confrontationally towards the sheath entrance. A numerical illustrative scheme is methodically constructed to see the parametric dependence of the new sheath properties on diverse problem arguments. The merits and demerits are highlighted in the light of the existing results conjointly with clear indication to future ameliorations.

Application of Hermitian time-dependent coupled-cluster response Ansätze of second order to excitation energies and frequency-dependent dipole polarizabilities

NASA Astrophysics Data System (ADS)

Wälz, Gero; Kats, Daniel; Usvyat, Denis; Korona, Tatiana; Schütz, Martin

2012-11-01

Linear-response methods, based on the time-dependent variational coupled-cluster or the unitary coupled-cluster model, and truncated at the second order according to the Møller-Plesset partitioning, i.e., the TD-VCC[2] and TD-UCC[2] linear-response methods, are presented and compared. For both of these methods a Hermitian eigenvalue problem has to be solved to obtain excitation energies and state eigenvectors. The excitation energies thus are guaranteed always to be real valued, and the eigenvectors are mutually orthogonal, in contrast to response theories based on “traditional” coupled-cluster models. It turned out that the TD-UCC[2] working equations for excitation energies and polarizabilities are equivalent to those of the second-order algebraic diagrammatic construction scheme ADC(2). Numerical tests are carried out by calculating TD-VCC[2] and TD-UCC[2] excitation energies and frequency-dependent dipole polarizabilities for several test systems and by comparing them to the corresponding values obtained from other second- and higher-order methods. It turns out that the TD-VCC[2] polarizabilities in the frequency regions away from the poles are of a similar accuracy as for other second-order methods, as expected from the perturbative analysis of the TD-VCC[2] polarizability expression. On the other hand, the TD-VCC[2] excitation energies are systematically too low relative to other second-order methods (including TD-UCC[2]). On the basis of these results and an analysis presented in this work, we conjecture that the perturbative expansion of the Jacobian converges more slowly for the TD-VCC formalism than for TD-UCC or for response theories based on traditional coupled-cluster models.

An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling

NASA Astrophysics Data System (ADS)

Liu, Junzi; Cheng, Lan

2018-04-01

An atomic mean-field (AMF) spin-orbit (SO) approach within exact two-component theory (X2C) is reported, thereby exploiting the exact decoupling scheme of X2C, the one-electron approximation for the scalar-relativistic contributions, the mean-field approximation for the treatment of the two-electron SO contribution, and the local nature of the SO interactions. The Hamiltonian of the proposed SOX2CAMF scheme comprises the one-electron X2C Hamiltonian, the instantaneous two-electron Coulomb interaction, and an AMF SO term derived from spherically averaged Dirac-Coulomb Hartree-Fock calculations of atoms; no molecular relativistic two-electron integrals are required. Benchmark calculations for bond lengths, harmonic frequencies, dipole moments, and electric-field gradients for a set of diatomic molecules containing elements across the periodic table show that the SOX2CAMF scheme offers a balanced treatment for SO and scalar-relativistic effects and appears to be a promising candidate for applications to heavy-element containing systems. SOX2CAMF coupled-cluster calculations of molecular properties for bismuth compounds (BiN, BiP, BiF, BiCl, and BiI) are also presented and compared with experimental results to further demonstrate the accuracy and applicability of the SOX2CAMF scheme.

Effects of refraction by means flow velocity gradients on the standing wave pattern in three-dimensional, rectangular waveguides

NASA Technical Reports Server (NTRS)

Hersh, A. S.

1979-01-01

The influence of a mean vortical flow on the connection between the standing wave pattern in a rectangular three dimensional waveguide and the corresponding duct axial impedance was determined analytically. The solution was derived using a perturbation scheme valid for low mean flow Mach numbers and plane wave sound frequencies. The results show that deviations of the standing wave pattern due to refraction by the mean flow gradients are small.

Digital Quantum Simulation of Z2 Lattice Gauge Theories with Dynamical Fermionic Matter

NASA Astrophysics Data System (ADS)

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

2017-02-01

We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2 +1 ) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z2 model in (2 +1 ) dimensions.

Solution of transonic flows by an integro-differential equation method

NASA Technical Reports Server (NTRS)

Ogana, W.

1978-01-01

Solutions of steady transonic flow past a two-dimensional airfoil are obtained from a singular integro-differential equation which involves a tangential derivative of the perturbation velocity potential. Subcritical flows are solved by taking central differences everywhere. For supercritical flows with shocks, central differences are taken in subsonic flow regions and backward differences in supersonic flow regions. The method is applied to a nonlifting parabolic-arc airfoil and to a lifting NACA 0012 airfoil. Results compare favorably with those of finite-difference schemes.

Nonperturbative finite-temperature Yang-Mills theory

NASA Astrophysics Data System (ADS)

Cyrol, Anton K.; Mitter, Mario; Pawlowski, Jan M.; Strodthoff, Nils

2018-03-01

We present nonperturbative correlation functions in Landau-gauge Yang-Mills theory at finite temperature. The results are obtained from the functional renormalisation group within a self-consistent approximation scheme. In particular, we compute the magnetic and electric components of the gluon propagator, and the three- and four-gluon vertices. We also show the ghost propagator and the ghost-gluon vertex at finite temperature. Our results for the propagators are confronted with lattice simulations and our Debye mass is compared to hard thermal loop perturbation theory.

A Perturbation Approach to Robot Calibration.

DTIC Science & Technology

1985-04-01

J. Y. S., Walker, M. W., and Paul, R. P. C . 1980. On-line Computational Scheme for Mechanical Manipulators. J. Dynamic Systems, Measurement and... Rourke , J. M., Seltzer, D. S., Edsall, A. C ., Lozinski, C . A., and Kenwood, G. J. 1984 (May 21-23). Short- and Long-Term Robot Feedback: Multi-Axis...manipulator with six joints are expanded up to second order in the 24 joint parameters. * Z’S 47 EIIO O INO 5 S BSLEEUNCASSIFIED %.e .. Di~ S/N012

The strange sea density and charm production in deep inelastic charged current processes

NASA Astrophysics Data System (ADS)

Glück, M.; Kretzer, S.; Reya, E.

1996-02-01

Charm production as related to the determination of the strange sea density in deep inelastic charged current processes is studied predominantly in the framework of the overlineMS fixed flavor factorization scheme. Perturbative stability within this formalism is demonstrated. The compatibility of recent next-to-leading order strange quark distributions with the available dimuon and F2νN data is investigated. It is shown that final conclusions concerning these distributions afford further analyses of presently available and/or forthcoming neutrino data.

Digital Quantum Simulation of Z_{2} Lattice Gauge Theories with Dynamical Fermionic Matter.

PubMed

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J Ignacio

2017-02-17

We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2+1) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z_{2} model in (2+1) dimensions.

Nucleon matrix elements with Nf=2+1+1 maximally twisted fermions

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

Simon Dinter, Constantia Alexandrou, Martha Constantinou, Vincent Drach, Karl Jansen, Dru Renner

2010-06-01

We present the first lattice calculation of nucleon matrix elements using four dynamical flavors. We use the Nf=2+1+1 maximally twisted mass formulation. The renormalization is performed non-perturbatively in the RI'-MOM scheme and results are given for the vector and axial vector operators with up to one-derivative. Our calculation of the average momentum of the unpolarized non-singlet parton distribution is presented and compared to our previous results obtained from the Nf=2 case.

Stability of cylindrical thin shell wormholes supported by MGCG in f(R) gravity

NASA Astrophysics Data System (ADS)

Eid, A.

2018-02-01

In the framework of f(R) modified theory of gravity, the dynamical equations of motion of a cylindrical thin shell wormholes supported by a modified generalized Chaplygin gas are constructed, using the cut and paste scheme (Darmois Israel formalism). The mechanical stability analysis of a cylindrical thin shell wormhole is discussed using a linearized radial perturbation around static solutions at the wormhole throat. The presence of stable static solutions depends on the suitable values of some parameters of dynamical shell.

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

Zhao, T; Ruan, D

Purpose: The growing size and heterogeneity in training atlas necessitates sophisticated schemes to identify only the most relevant atlases for the specific multi-atlas-based image segmentation problem. This study aims to develop a model to infer the inaccessible oracle geometric relevance metric from surrogate image similarity metrics, and based on such model, provide guidance to atlas selection in multi-atlas-based image segmentation. Methods: We relate the oracle geometric relevance metric in label space to the surrogate metric in image space, by a monotonically non-decreasing function with additive random perturbations. Subsequently, a surrogate’s ability to prognosticate the oracle order for atlas subset selectionmore » is quantified probabilistically. Finally, important insights and guidance are provided for the design of fusion set size, balancing the competing demands to include the most relevant atlases and to exclude the most irrelevant ones. A systematic solution is derived based on an optimization framework. Model verification and performance assessment is performed based on clinical prostate MR images. Results: The proposed surrogate model was exemplified by a linear map with normally distributed perturbation, and verified with several commonly-used surrogates, including MSD, NCC and (N)MI. The derived behaviors of different surrogates in atlas selection and their corresponding performance in ultimate label estimate were validated. The performance of NCC and (N)MI was similarly superior to MSD, with a 10% higher atlas selection probability and a segmentation performance increase in DSC by 0.10 with the first and third quartiles of (0.83, 0.89), compared to (0.81, 0.89). The derived optimal fusion set size, valued at 7/8/8/7 for MSD/NCC/MI/NMI, agreed well with the appropriate range [4, 9] from empirical observation. Conclusion: This work has developed an efficacious probabilistic model to characterize the image-based surrogate metric on atlas selection. Analytical insights lead to valid guiding principles on fusion set size design.« less

Response of the coupled M-I-T system to the March 17, 2015 solar wind dynamic pressure enhancement event

NASA Astrophysics Data System (ADS)

Ozturk, D. S.; Zou, S.; Slavin, J. A.; Ridley, A. J.

2017-12-01

When the solar wind dynamic pressure is enhanced, it could perturb the global magnetosphere-ionosphere-thermosphere (M-I-T) system. The most notable indicators of such disruptions are changes in Field-Aligned Currents (FACs), ionospheric convection patterns and magnetic perturbations observed by ground magnetometers. The link between dynamic pressure enhancements and FACs has been well established, but studies on how these FACs affect the ionosphere-thermosphere system are very limited. In order to understand the large-scale dynamic processes in the M-I-T system due to the solar wind dynamic pressure enhancement, we study the 17 March 2015 event in detail. This is one of the most geoeffective events of the solar cycle 24 with Dst minimum of -222 nT. The Wind spacecraft recorded a two-step increment in the solar wind dynamic pressure, from 2 nPa to 12 nPa within 3 minutes, while the IMF Bz stayed northward. We used the University of Michigan Block Adaptive Tree Solarwind Roe Upwind Scheme (BATS'R'US), global MHD code to study the generation and propagation of perturbations associated with the compression of the magnetosphere. To effectively represent the coupled magnetosphere-ionosphere system, we included the Global Magnetosphere (GM), Inner Magnetosphere (IM) and Ionospheric electrodynamic (IE) modules. 600 uniformly distributed virtual magnetometers are included in the simulation to identify the magnetic perturbations associated with the FAC pairs as well as their temporal and spatial variations. In addition, we used the IE module output to drive the University of Michigan Global Ionosphere Thermosphere Model (GITM) to study how the I-T system responds to dynamic pressure enhancement. We show that as a result of the solar wind dynamic pressure enhancement, two pair of perturbation FACs develop in addition to the NBZ current system. These FACs significantly alter the ionospheric convection profile and create elongated vortices that propagate from dayside to nightside. The ion temperature at the location of these vortices is significantly and immediately enhanced. We analyzed the altitude profiles of plasma temperature, electron density and joule heating to quantitatively understand energy deposition during this process, and compare them with observations from ground-based incoherent scatter radar.

Ensemble superparameterization versus stochastic parameterization: A comparison of model uncertainty representation in tropical weather prediction

NASA Astrophysics Data System (ADS)

Subramanian, Aneesh C.; Palmer, Tim N.

2017-06-01

Stochastic schemes to represent model uncertainty in the European Centre for Medium-Range Weather Forecasts (ECMWF) ensemble prediction system has helped improve its probabilistic forecast skill over the past decade by both improving its reliability and reducing the ensemble mean error. The largest uncertainties in the model arise from the model physics parameterizations. In the tropics, the parameterization of moist convection presents a major challenge for the accurate prediction of weather and climate. Superparameterization is a promising alternative strategy for including the effects of moist convection through explicit turbulent fluxes calculated from a cloud-resolving model (CRM) embedded within a global climate model (GCM). In this paper, we compare the impact of initial random perturbations in embedded CRMs, within the ECMWF ensemble prediction system, with stochastically perturbed physical tendency (SPPT) scheme as a way to represent model uncertainty in medium-range tropical weather forecasts. We especially focus on forecasts of tropical convection and dynamics during MJO events in October-November 2011. These are well-studied events for MJO dynamics as they were also heavily observed during the DYNAMO field campaign. We show that a multiscale ensemble modeling approach helps improve forecasts of certain aspects of tropical convection during the MJO events, while it also tends to deteriorate certain large-scale dynamic fields with respect to stochastically perturbed physical tendencies approach that is used operationally at ECMWF.