Fast Dictionary-Based Reconstruction for Diffusion Spectrum Imaging

PubMed Central

Bilgic, Berkin; Chatnuntawech, Itthi; Setsompop, Kawin; Cauley, Stephen F.; Yendiki, Anastasia; Wald, Lawrence L.; Adalsteinsson, Elfar

2015-01-01

Diffusion Spectrum Imaging (DSI) reveals detailed local diffusion properties at the expense of substantially long imaging times. It is possible to accelerate acquisition by undersampling in q-space, followed by image reconstruction that exploits prior knowledge on the diffusion probability density functions (pdfs). Previously proposed methods impose this prior in the form of sparsity under wavelet and total variation (TV) transforms, or under adaptive dictionaries that are trained on example datasets to maximize the sparsity of the representation. These compressed sensing (CS) methods require full-brain processing times on the order of hours using Matlab running on a workstation. This work presents two dictionary-based reconstruction techniques that use analytical solutions, and are two orders of magnitude faster than the previously proposed dictionary-based CS approach. The first method generates a dictionary from the training data using Principal Component Analysis (PCA), and performs the reconstruction in the PCA space. The second proposed method applies reconstruction using pseudoinverse with Tikhonov regularization with respect to a dictionary. This dictionary can either be obtained using the K-SVD algorithm, or it can simply be the training dataset of pdfs without any training. All of the proposed methods achieve reconstruction times on the order of seconds per imaging slice, and have reconstruction quality comparable to that of dictionary-based CS algorithm. PMID:23846466

Application of the moving frame method to deformed Willmore surfaces in space forms

NASA Astrophysics Data System (ADS)

Paragoda, Thanuja

2018-06-01

The main goal of this paper is to use the theory of exterior differential forms in deriving variations of the deformed Willmore energy in space forms and study the minimizers of the deformed Willmore energy in space forms. We derive both first and second order variations of deformed Willmore energy in space forms explicitly using moving frame method. We prove that the second order variation of deformed Willmore energy depends on the intrinsic Laplace Beltrami operator, the sectional curvature and some special operators along with mean and Gauss curvatures of the surface embedded in space forms, while the first order variation depends on the extrinsic Laplace Beltrami operator.

Abstract Interpreters for Free

NASA Astrophysics Data System (ADS)

Might, Matthew

In small-step abstract interpretations, the concrete and abstract semantics bear an uncanny resemblance. In this work, we present an analysis-design methodology that both explains and exploits that resemblance. Specifically, we present a two-step method to convert a small-step concrete semantics into a family of sound, computable abstract interpretations. The first step re-factors the concrete state-space to eliminate recursive structure; this refactoring of the state-space simultaneously determines a store-passing-style transformation on the underlying concrete semantics. The second step uses inference rules to generate an abstract state-space and a Galois connection simultaneously. The Galois connection allows the calculation of the "optimal" abstract interpretation. The two-step process is unambiguous, but nondeterministic: at each step, analysis designers face choices. Some of these choices ultimately influence properties such as flow-, field- and context-sensitivity. Thus, under the method, we can give the emergence of these properties a graph-theoretic characterization. To illustrate the method, we systematically abstract the continuation-passing style lambda calculus to arrive at two distinct families of analyses. The first is the well-known k-CFA family of analyses. The second consists of novel "environment-centric" abstract interpretations, none of which appear in the literature on static analysis of higher-order programs.

Automated mapping of the ocean floor using the theory of intrinsic random functions of order k

USGS Publications Warehouse

David, M.; Crozel, D.; Robb, James M.

1986-01-01

High-quality contour maps can be computer drawn from single track echo-sounding data by combining Universal Kriging and the theory of intrinsic random function of order K (IRFK). These methods interpolate values among the closely spaced points that lie along relatively widely spaced lines. The technique provides a variance which can be contoured as a quantitative measure of map precision. The technique can be used to evaluate alternative survey trackline configurations and data collection intervals, and can be applied to other types of oceanographic data. ?? 1986 D. Reidel Publishing Company.

Acoustic levitation methods for density measurements

NASA Technical Reports Server (NTRS)

Trinh, E. H.; Hsu, C. J.

1986-01-01

The capability of ultrasonic levitators operating in air to perform density measurements has been demonstrated. The remote determination of the density of ordinary liquids as well as low density solid metals can be carried out using levitated samples with size on the order of a few millimeters and at a frequency of 20 kHz. Two basic methods may be used. The first one is derived from a previously known technique developed for acoustic levitation in liquid media, and is based on the static equilibrium position of levitated samples in the earth's gravitational field. The second approach relies on the dynamic interaction between a levitated sample and the acoustic field. The first technique appears more accurate (1 percent uncertainty), but the latter method is directly applicable to a near gravity-free environment such as that found in space.

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

Berastegui, P.; Hull, S., E-mail: stephen.hull@stfc.ac.u; Eriksson, S.G.

The compound CsSn{sub 2}F{sub 5} has been investigated over the temperature range from ambient to 545 K using differential scanning calorimetry, impedance spectroscopy and neutron powder diffraction methods. A first-order phase transition is observed from DSC measurements at 510(2) K, to a phase possessing a high ionic conductivity ({sigma}{approx}2.5x10{sup -2} {Omega}{sup -1} cm{sup -1} at 520 K). The crystal structure of the high temperature superionic phase (labelled {alpha}) has been determined to be tetragonal (space group I4/mmm, a=4.2606(10) A, c=19.739(5) A and Z=2) in which the cations form layers perpendicular to the [001] direction, with a stacking sequence CsSnSnCsSnSn... Allmore » the anions are located in two partially occupied sites in the gap between the Cs and Sn layers, whilst the space between the Sn cations is empty, due to the orientation of the lone-pair electrons associated with the Sn{sup 2+}. The structure of {alpha}-CsSn{sub 2}F{sub 5} is discussed in relation to two other layered F{sup -} conducting superionic phases containing Sn{sup 2+} cations, {alpha}-RbSn{sub 2}F{sub 5} and {alpha}-PbSnF{sub 4} and, to facilitate this comparison, an improved structural characterisation of the former is also presented. The wider issue of the role of lone-pair cations such as Sn{sup 2+} in promoting dynamic disorder within an anion substructure is also briefly addressed. - Graphical abstract: CsSn{sub 2}F{sub 5} is shown to undergo a first order phase transition at 510(2) K to a superionic phase in which the specific electronic configuration of the Sn{sup 2+} plays a key role in promoting extensive disorder of the anions.« less

Relativistic satellite orbits: central body with higher zonal harmonics

NASA Astrophysics Data System (ADS)

Schanner, Maximilian; Soffel, Michael

2018-06-01

Satellite orbits around a central body with arbitrary zonal harmonics are considered in a relativistic framework. Our starting point is the relativistic Celestial Mechanics based upon the first post-Newtonian approximation to Einstein's theory of gravity as it has been formulated by Damour et al. (Phys Rev D 43:3273-3307, 1991; 45:1017-1044, 1992; 47:3124-3135, 1993; 49:618-635, 1994). Since effects of order (GM/c^2R) × J_k with k ≥ 2 for the Earth are very small (of order 7 × 10^{-10} × J_k) we consider an axially symmetric body with arbitrary zonal harmonics and a static external gravitational field. In such a field the explicit J_k/c^2-terms (direct terms) in the equations of motion for the coordinate acceleration of a satellite are treated first with first-order perturbation theory. The derived perturbation theoretical results of first order have been checked by purely numerical integrations of the equations of motion. Additional terms of the same order result from the interaction of the Newtonian J_k-terms with the post-Newtonian Schwarzschild terms (relativistic terms related to the mass of the central body). These `mixed terms' are treated by means of second-order perturbation theory based on the Lie-series method (Hori-Deprit method). Here we concentrate on the secular drifts of the ascending node <{\\dot{Ω }}> and argument of the pericenter <{\\dot{ω }}>. Finally orders of magnitude are given and discussed.

Measurement of hydraulic characteristics of porous media used to grow plants in microgravity

NASA Technical Reports Server (NTRS)

Steinberg, Susan L.; Poritz, Darwin

2005-01-01

Understanding the effect of gravity on hydraulic properties of plant growth medium is essential for growing plants in space. The suitability of existing models to simulate hydraulic properties of porous medium is uncertain due to limited understanding of fundamental mechanisms controlling water and air transport in microgravity. The objective of this research was to characterize saturated and unsaturated hydraulic conductivity (K) of two particle-size distributions of baked ceramic aggregate using direct measurement techniques compatible with microgravity. Steady state (Method A) and instantaneous profile measurement (Method B) methods for K were used in a single experimental unit with horizontal flow through thin sections of porous medium providing an earth-based analog to microgravity. Comparison between methods was conducted using a crossover experimental design compatible with limited resources of space flight. Satiated (natural saturation) K ranged from 0.09 to 0.12 cm s-1 and 0.5 to >1 cm s-1 for 0.25- to 1- and 1- to 2-mm media, respectively. The K at the interaggregate/intraaggregate transition was approximately 10(-4) cm s-1 for both particle-size distributions. Significant differences in log(10)K due to method and porous medium were less than one order of magnitude and were attributed to variability in air entrapment. The van Genuchten/Mualem parametric models provided an adequate prediction of K of the interaggregate pore space, using residual water content for that pore space. The instantaneous profile method covers the range of water contents relevant to plant growth using fewer resources than Method A, all advantages for space flight where mass, volume, and astronaut time are limited.

Application of Semi-Definite Programming for Many-Fermion Systems

NASA Astrophysics Data System (ADS)

Zhao, Zhengji; Braams, Bastiaan; Fukuda, Mituhiro; Overton, Michael

2003-03-01

The ground state energy and other important observables of a many-fermion system with one- and two-body interactions only can all be obtained from the first order and second order Reduced Density Matrices (RDM's) of the system. Using these density matrices and a family of associated representability conditions one may obtain an approximation method for electronic structure theory that is in the mathematical form of Semi-Definite Programming (SDP): minimize a linear matrix functional over a space of positive semidefinite matrices subject to linear constraints. The representability conditions are some known necessary conditions, starting with the well-known P, Q, and G conditions [Claude Garrod and Jerome K. Percus, Reducation of the N-Particle Variational Problem, J. Math. Phys. 5 (1964) 1756-1776]. The RDM method with SDP has great potential advantages over the wave function method when the particle number N is large. The dimension of the full configuration space increases exponentially with N, but in RDM method with SDP the dimension of the objective matrix (which includes RDM's) increases only polynomially with N. We will report on the effect of adding the generalized three-index conditions proposed in [R. M. Erdahl, Representability, Int. J. Quantum Chem. 13 (1978) 697-718].

Response Surface Methods for Spatially-Resolved Optical Measurement Techniques

NASA Technical Reports Server (NTRS)

Danehy, P. M.; Dorrington, A. A.; Cutler, A. D.; DeLoach, R.

2003-01-01

Response surface methods (or methodology), RSM, have been applied to improve data quality for two vastly different spatial ly-re solved optical measurement techniques. In the first application, modern design of experiments (MDOE) methods, including RSM, are employed to map the temperature field in a direct-connect supersonic combustion test facility at NASA Langley Research Center. The laser-based measurement technique known as coherent anti-Stokes Raman spectroscopy (CARS) is used to measure temperature at various locations in the combustor. RSM is then used to develop temperature maps of the flow. Even though the temperature fluctuations at a single point in the flowfield have a standard deviation on the order of 300 K, RSM provides analytic fits to the data having 95% confidence interval half width uncertainties in the fit as low as +/-30 K. Methods of optimizing future CARS experiments are explored. The second application of RSM is to quantify the shape of a 5-meter diameter, ultra-light, inflatable space antenna at NASA Langley Research Center.

Blending Velocities In Task Space In Computing Robot Motions

NASA Technical Reports Server (NTRS)

Volpe, Richard A.

1995-01-01

Blending of linear and angular velocities between sequential specified points in task space constitutes theoretical basis of improved method of computing trajectories followed by robotic manipulators. In method, generalized velocity-vector-blending technique provides relatively simple, common conceptual framework for blending linear, angular, and other parametric velocities. Velocity vectors originate from straight-line segments connecting specified task-space points, called "via frames" and represent specified robot poses. Linear-velocity-blending functions chosen from among first-order, third-order-polynomial, and cycloidal options. Angular velocities blended by use of first-order approximation of previous orientation-matrix-blending formulation. Angular-velocity approximation yields small residual error, quantified and corrected. Method offers both relative simplicity and speed needed for generation of robot-manipulator trajectories in real time.

First-principles study lone-pair effects of Sb (III)-S chromophore influence on SHG response in quaternary potassium containing silver antimony sulfides

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

Huang, Junben; School of Physics Science and Technology, Xinjiang University, Urumqi 830046; Su, Xin

2017-05-15

First-principles studies of the geometric structures, electronic structures and optical properties of non-centrosymmetrical (NCS) KAg{sub 2}SbS{sub 4}, K{sub 2}AgSbS{sub 4} and K{sub 2}Ag{sub 3}Sb{sub 3}S{sub 7} and centrosymmetrical (CS) KAg{sub 2}SbS{sub 3} and K{sub 3}Ag{sub 9}Sb{sub 4}S{sub 12} have been performed by means of density functional theory. It is indicated that although they have similarity in their anionic groups and, the electronic structures, prominent features of the optical anisotropy or second-order nonlinear optical (NLO) susceptibilities are apparently different. The calculated birefringences are 0.0537, 0.0343, 0.1324, 0.2217 and 0.0604 which are attributed to the different anionic groups [SbS{sub 3}] and trianglesmore » [AgS{sub 3}]. Also, the calculated NLO responses are about 0.5×, 1.0× and 2.0× times than that commercial AgGaS{sub 2} (AGS, d{sub 36}=11 pm/V) for K{sub 2}AgSbS{sub 4}, KAg{sub 2}SbS{sub 4} and K{sub 2}Ag{sub 3}Sb{sub 3}S{sub 7}, respectively. In comparison with the absolute magnitude of second harmonic generation (SHG) coefficients, the order K{sub 2}Ag{sub 3}Sb{sub 3}S{sub 7}>KAg{sub 2}SbS{sub 4}>K{sub 2}AgSbS{sub 4} is clearly established in the SHG response. Further analysis based on the real-space atom-cutting method reveals that the main sources of the SHG properties of these compounds are from the Sb-S group, especially K{sub 2}Ag{sub 3}Sb{sub 3}S{sub 7} is mainly attributed to the lone pair stereochemical activity of Sb (III)-S group. - Graphical abstract: Compounds K{sub 2}AgSbS{sub 4}, KAg{sub 2}SbS{sub 4} and K{sub 2}Ag{sub 3}Sb{sub 3}S{sub 7} exhibit second-order NLO response: 15×, 30× and 62× times than that KDP (KH{sub 2}PO{sub 4}, d{sub 36}=0.39 pm/V), respectively. First-principles methods reveal that the large SHG response of K{sub 2}Ag{sub 3}Sb{sub 3}S{sub 7} is dominated by the Sb-S chromophore with lone pairs.« less

High-pressure crystal growth and electromagnetic properties of 5d double-perovskite Ca3OsO6

NASA Astrophysics Data System (ADS)

Feng, Hai Luke; Shi, Youguo; Guo, Yanfeng; Li, Jun; Sato, Akira; Sun, Ying; Wang, Xia; Yu, Shan; Sathish, Clastin I.; Yamaura, Kazunari

2013-05-01

Single crystals of the osmium-containing compound Ca3OsO6 have been successfully grown under high-pressure conditions, for the first time. The crystal structure of Ca3OsO6 were characterized as an ordered double-perovskite structure of space group P21/n with the Ca and Os atoms being fully ordered at the perovskite B-site. The electromagnetic analysis shows that the crystal exhibits a semiconductor-like behavior below 300 K and undergoes an antiferromagnetic transition at 50 K.

Lattice dynamics and thermal conductivity of lithium fluoride via first-principles calculations

NASA Astrophysics Data System (ADS)

Liang, Ting; Chen, Wen-Qi; Hu, Cui-E.; Chen, Xiang-Rong; Chen, Qi-Feng

2018-04-01

The lattice thermal conductivity of lithium fluoride (LiF) is accurately computed from a first-principles approach based on an iterative solution of the Boltzmann transport equation. Real-space finite-difference supercell approach is employed to generate the second- and third-order interatomic force constants. The related physical quantities of LiF are calculated by the second- and third- order potential interactions at 30 K-1000 K. The calculated lattice thermal conductivity 13.89 W/(m K) for LiF at room temperature agrees well with the experimental value, demonstrating that the parameter-free approach can furnish precise descriptions of the lattice thermal conductivity for this material. Besides, the Born effective charges, dielectric constants and phonon spectrum of LiF accord well with the existing data. The lattice thermal conductivities for the iterative solution of BTE are also presented.

Iterative initial condition reconstruction

NASA Astrophysics Data System (ADS)

Schmittfull, Marcel; Baldauf, Tobias; Zaldarriaga, Matias

2017-07-01

Motivated by recent developments in perturbative calculations of the nonlinear evolution of large-scale structure, we present an iterative algorithm to reconstruct the initial conditions in a given volume starting from the dark matter distribution in real space. In our algorithm, objects are first moved back iteratively along estimated potential gradients, with a progressively reduced smoothing scale, until a nearly uniform catalog is obtained. The linear initial density is then estimated as the divergence of the cumulative displacement, with an optional second-order correction. This algorithm should undo nonlinear effects up to one-loop order, including the higher-order infrared resummation piece. We test the method using dark matter simulations in real space. At redshift z =0 , we find that after eight iterations the reconstructed density is more than 95% correlated with the initial density at k ≤0.35 h Mpc-1 . The reconstruction also reduces the power in the difference between reconstructed and initial fields by more than 2 orders of magnitude at k ≤0.2 h Mpc-1 , and it extends the range of scales where the full broadband shape of the power spectrum matches linear theory by a factor of 2-3. As a specific application, we consider measurements of the baryonic acoustic oscillation (BAO) scale that can be improved by reducing the degradation effects of large-scale flows. In our idealized dark matter simulations, the method improves the BAO signal-to-noise ratio by a factor of 2.7 at z =0 and by a factor of 2.5 at z =0.6 , improving standard BAO reconstruction by 70% at z =0 and 30% at z =0.6 , and matching the optimal BAO signal and signal-to-noise ratio of the linear density in the same volume. For BAO, the iterative nature of the reconstruction is the most important aspect.

An approach to the development of numerical algorithms for first order linear hyperbolic systems in multiple space dimensions: The constant coefficient case

NASA Technical Reports Server (NTRS)

Goodrich, John W.

1995-01-01

Two methods for developing high order single step explicit algorithms on symmetric stencils with data on only one time level are presented. Examples are given for the convection and linearized Euler equations with up to the eighth order accuracy in both space and time in one space dimension, and up to the sixth in two space dimensions. The method of characteristics is generalized to nondiagonalizable hyperbolic systems by using exact local polynominal solutions of the system, and the resulting exact propagator methods automatically incorporate the correct multidimensional wave propagation dynamics. Multivariate Taylor or Cauchy-Kowaleskaya expansions are also used to develop algorithms. Both of these methods can be applied to obtain algorithms of arbitrarily high order for hyperbolic systems in multiple space dimensions. Cross derivatives are included in the local approximations used to develop the algorithms in this paper in order to obtain high order accuracy, and improved isotropy and stability. Efficiency in meeting global error bounds is an important criterion for evaluating algorithms, and the higher order algorithms are shown to be up to several orders of magnitude more efficient even though they are more complex. Stable high order boundary conditions for the linearized Euler equations are developed in one space dimension, and demonstrated in two space dimensions.

Quantifying the accuracy of the tumor motion and area as a function of acceleration factor for the simulation of the dynamic keyhole magnetic resonance imaging method.

PubMed

Lee, Danny; Greer, Peter B; Pollock, Sean; Kim, Taeho; Keall, Paul

2016-05-01

The dynamic keyhole is a new MR image reconstruction method for thoracic and abdominal MR imaging. To date, this method has not been investigated with cancer patient magnetic resonance imaging (MRI) data. The goal of this study was to assess the dynamic keyhole method for the task of lung tumor localization using cine-MR images reconstructed in the presence of respiratory motion. The dynamic keyhole method utilizes a previously acquired a library of peripheral k-space datasets at similar displacement and phase (where phase is simply used to determine whether the breathing is inhale to exhale or exhale to inhale) respiratory bins in conjunction with central k-space datasets (keyhole) acquired. External respiratory signals drive the process of sorting, matching, and combining the two k-space streams for each respiratory bin, thereby achieving faster image acquisition without substantial motion artifacts. This study was the first that investigates the impact of k-space undersampling on lung tumor motion and area assessment across clinically available techniques (zero-filling and conventional keyhole). In this study, the dynamic keyhole, conventional keyhole and zero-filling methods were compared to full k-space dataset acquisition by quantifying (1) the keyhole size required for central k-space datasets for constant image quality across sixty four cine-MRI datasets from nine lung cancer patients, (2) the intensity difference between the original and reconstructed images in a constant keyhole size, and (3) the accuracy of tumor motion and area directly measured by tumor autocontouring. For constant image quality, the dynamic keyhole method, conventional keyhole, and zero-filling methods required 22%, 34%, and 49% of the keyhole size (P < 0.0001), respectively, compared to the full k-space image acquisition method. Compared to the conventional keyhole and zero-filling reconstructed images with the keyhole size utilized in the dynamic keyhole method, an average intensity difference of the dynamic keyhole reconstructed images (P < 0.0001) was minimal, and resulted in the accuracy of tumor motion within 99.6% (P < 0.0001) and the accuracy of tumor area within 98.0% (P < 0.0001) for lung tumor monitoring applications. This study demonstrates that the dynamic keyhole method is a promising technique for clinical applications such as image-guided radiation therapy requiring the MR monitoring of thoracic tumors. Based on the results from this study, the dynamic keyhole method could increase the imaging frequency by up to a factor of five compared with full k-space methods for real-time lung tumor MRI.

Control of large flexible spacecraft by the independent modal-space control method

NASA Technical Reports Server (NTRS)

Meirovitch, L.; Shenar, J.

1984-01-01

The problem of control of a large-order flexible structure in the form of a plate-like lattice by the Independent Modal-Space Control (IMSC) method is presented. The equations of motion are first transformed to the modal space, thus obtaining internal (plant) decoupling of the system. Then, the control laws are designed in the modal space for each mode separately, so that the modal equations of motion are rendered externally (controller) decoupled. This complete decoupling applies both to rigid-body modes and elastic modes. The application of linear optimal control, in conjunction with a quadratic performance index, is first reviewed. A solution for high-order systems is proposed here by the IMSC method, whereby the problem is reduced to a number of modal minimum-fuel problems for the controlled modes.

A singular K-space model for fast reconstruction of magnetic resonance images from undersampled data.

PubMed

Luo, Jianhua; Mou, Zhiying; Qin, Binjie; Li, Wanqing; Ogunbona, Philip; Robini, Marc C; Zhu, Yuemin

2018-07-01

Reconstructing magnetic resonance images from undersampled k-space data is a challenging problem. This paper introduces a novel method of image reconstruction from undersampled k-space data based on the concept of singularizing operators and a novel singular k-space model. Exploring the sparsity of an image in the k-space, the singular k-space model (SKM) is proposed in terms of the k-space functions of a singularizing operator. The singularizing operator is constructed by combining basic difference operators. An algorithm is developed to reliably estimate the model parameters from undersampled k-space data. The estimated parameters are then used to recover the missing k-space data through the model, subsequently achieving high-quality reconstruction of the image using inverse Fourier transform. Experiments on physical phantom and real brain MR images have shown that the proposed SKM method constantly outperforms the popular total variation (TV) and the classical zero-filling (ZF) methods regardless of the undersampling rates, the noise levels, and the image structures. For the same objective quality of the reconstructed images, the proposed method requires much less k-space data than the TV method. The SKM method is an effective method for fast MRI reconstruction from the undersampled k-space data. Graphical abstract Two Real Images and their sparsified images by singularizing operator.

The development and optimisation of 3D black-blood R2* mapping of the carotid artery wall.

PubMed

Yuan, Jianmin; Graves, Martin J; Patterson, Andrew J; Priest, Andrew N; Ruetten, Pascal P R; Usman, Ammara; Gillard, Jonathan H

2017-12-01

To develop and optimise a 3D black-blood R 2 * mapping sequence for imaging the carotid artery wall, using optimal blood suppression and k-space view ordering. Two different blood suppression preparation methods were used; Delay Alternating with Nutation for Tailored Excitation (DANTE) and improved Motion Sensitive Driven Equilibrium (iMSDE) were each combined with a three-dimensional (3D) multi-echo Fast Spoiled GRadient echo (ME-FSPGR) readout. Three different k-space view-order designs: Radial Fan-beam Encoding Ordering (RFEO), Distance-Determined Encoding Ordering (DDEO) and Centric Phase Encoding Order (CPEO) were investigated. The sequences were evaluated through Bloch simulation and in a cohort of twenty volunteers. The vessel wall Signal-to-Noise Ratio (SNR), Contrast-to-Noise Ratio (CNR) and R 2 *, and the sternocleidomastoid muscle R 2 * were measured and compared. Different numbers of acquisitions-per-shot (APS) were evaluated to further optimise the effectiveness of blood suppression. All sequences resulted in comparable R 2 * measurements to a conventional, i.e. non-blood suppressed sequence in the sternocleidomastoid muscle of the volunteers. Both Bloch simulations and volunteer data showed that DANTE has a higher signal intensity and results in a higher image SNR than iMSDE. Blood suppression efficiency was not significantly different when using different k-space view orders. Smaller APS achieved better blood suppression. The use of blood-suppression preparation methods does not affect the measurement of R 2 *. DANTE prepared ME-FSPGR sequence with a small number of acquisitions-per-shot can provide high quality black-blood R 2 * measurements of the carotid vessel wall. Copyright © 2017 Elsevier Inc. All rights reserved.

Automatic detection of microaneurysms in diabetic retinopathy fundus images using the L*a*b color space.

PubMed

Navarro, Pedro J; Alonso, Diego; Stathis, Kostas

2016-01-01

We develop an automated image processing system for detecting microaneurysm (MA) in diabetic patients. Diabetic retinopathy is one of the main causes of preventable blindness in working age diabetic people with the presence of an MA being one of the first signs. We transform the eye fundus images to the L*a*b* color space in order to separately process the L* and a* channels, looking for MAs in each of them. We then fuse the results, and last send the MA candidates to a k-nearest neighbors classifier for final assessment. The performance of the method, measured against 50 images with an ophthalmologist's hand-drawn ground-truth, shows high sensitivity (100%) and accuracy (84%), and running times around 10 s. This kind of automatic image processing application is important in order to reduce the burden on the public health system associated with the diagnosis of diabetic retinopathy given the high number of potential patients that need periodic screening.

Uncertainty Evaluations of the CRCS In-orbit Field Radiometric Calibration Methods for Thermal Infrared Channels of FENGYUN Meteorological Satellites

NASA Astrophysics Data System (ADS)

Zhang, Y.; Rong, Z.; Min, M.; Hao, X.; Yang, H.

2017-12-01

Meteorological satellites have become an irreplaceable weather and ocean-observing tool in China. These satellites are used to monitor natural disasters and improve the efficiency of many sectors of Chinese national economy. It is impossible to ignore the space-derived data in the fields of meteorology, hydrology, and agriculture, as well as disaster monitoring in China, a large agricultural country. For this reason, China is making a sustained effort to build and enhance its meteorological observing system and application system. The first Chinese polar-orbiting weather satellite was launched in 1988. Since then China has launched 14 meteorological satellites, 7 of which are sun synchronous and 7 of which are geostationary satellites; China will continue its two types of meteorological satellite programs. In order to achieve the in-orbit absolute radiometric calibration of the operational meteorological satellites' thermal infrared channels, China radiometric calibration sites (CRCS) established a set of in-orbit field absolute radiometric calibration methods (FCM) for thermal infrared channels (TIR) and the uncertainty of this method was evaluated and analyzed based on TERRA/AQUA MODIS observations. Comparisons between the MODIS at pupil brightness temperatures (BTs) and the simulated BTs at the top of atmosphere using radiative transfer model (RTM) based on field measurements showed that the accuracy of the current in-orbit field absolute radiometric calibration methods was better than 1.00K (@300K, K=1) in thermal infrared channels. Therefore, the current CRCS field calibration method for TIR channels applied to Chinese metrological satellites was with favorable calibration accuracy: for 10.5-11.5µm channel was better than 0.75K (@300K, K=1) and for 11.5-12.5µm channel was better than 0.85K (@300K, K=1).

Active magnetic refrigerants based on Gd-Si-Ge material and refrigeration apparatus and process

DOEpatents

Gschneidner, Jr., Karl A.; Pecharsky, Vitalij K.

1998-04-28

Active magnetic regenerator and method using Gd.sub.5 (Si.sub.x Ge.sub.1-x).sub.4, where x is equal to or less than 0.5, as a magnetic refrigerant that exhibits a reversible ferromagnetic/antiferromagnetic or ferromagnetic-II/ferromagnetic-I first order phase transition and extraordinary magneto-thermal properties, such as a giant magnetocaloric effect, that renders the refrigerant more efficient and useful than existing magnetic refrigerants for commercialization of magnetic regenerators. The reversible first order phase transition is tunable from approximately 30 K to approximately 290 K (near room temperature) and above by compositional adjustments. The active magnetic regenerator and method can function for refrigerating, air conditioning, and liquefying low temperature cryogens with significantly improved efficiency and operating temperature range from approximately 10 K to 300 K and above. Also an active magnetic regenerator and method using Gd.sub.5 (Si.sub.x Ge.sub.1-x).sub.4, where x is equal to or greater than 0.5, as a magnetic heater/refrigerant that exhibits a reversible ferromagnetic/paramagnetic second order phase transition with large magneto-thermal properties, such as a large magnetocaloric effect that permits the commercialization of a magnetic heat pump and/or refrigerant. This second order phase transition is tunable from approximately 280 K (near room temperature) to approximately 350 K by composition adjustments. The active magnetic regenerator and method can function for low level heating for climate control for buildings, homes and automobile, and chemical processing.

Active magnetic refrigerants based on Gd-Si-Ge material and refrigeration apparatus and process

DOEpatents

Gschneidner, K.A. Jr.; Pecharsky, V.K.

1998-04-28

Active magnetic regenerator and method using Gd{sub 5} (Si{sub x}Ge{sub 1{minus}x}){sub 4}, where x is equal to or less than 0.5, as a magnetic refrigerant that exhibits a reversible ferromagnetic/antiferromagnetic or ferromagnetic-II/ferromagnetic-I first order phase transition and extraordinary magneto-thermal properties, such as a giant magnetocaloric effect, that renders the refrigerant more efficient and useful than existing magnetic refrigerants for commercialization of magnetic regenerators. The reversible first order phase transition is tunable from approximately 30 K to approximately 290 K (near room temperature) and above by compositional adjustments. The active magnetic regenerator and method can function for refrigerating, air conditioning, and liquefying low temperature cryogens with significantly improved efficiency and operating temperature range from approximately 10 K to 300 K and above. Also an active magnetic regenerator and method using Gd{sub 5} (Si{sub x} Ge{sub 1{minus}x}){sub 4}, where x is equal to or greater than 0.5, as a magnetic heater/refrigerant that exhibits a reversible ferromagnetic/paramagnetic second order phase transition with large magneto-thermal properties, such as a large magnetocaloric effect that permits the commercialization of a magnetic heat pump and/or refrigerant. This second order phase transition is tunable from approximately 280 K (near room temperature) to approximately 350 K by composition adjustments. The active magnetic regenerator and method can function for low level heating for climate control for buildings, homes and automobile, and chemical processing. 27 figs.

The k-space origins of scattering in Bi2Sr2CaCu2O8+x

NASA Astrophysics Data System (ADS)

Alldredge, Jacob W.; Calleja, Eduardo M.; Dai, Jixia; Eisaki, H.; Uchida, S.; McElroy, Kyle

2013-08-01

We demonstrate a general, computer automated procedure that inverts the reciprocal space scattering data (q-space) that are measured by spectroscopic imaging scanning tunnelling microscopy (SI-STM) in order to determine the momentum space (k-space) scattering structure. This allows a detailed examination of the k-space origins of the quasiparticle interference (QPI) pattern in Bi2Sr2CaCu2O8+x within the theoretical constraints of the joint density of states (JDOS). Our new method allows measurement of the differences between the positive and negative energy dispersions, the gap structure and an energy dependent scattering length scale. Furthermore, it resolves the transition between the dispersive QPI and the checkerboard ({q}_{1}^{\\ast } excitation). We have measured the k-space scattering structure over a wide range of doping (p ˜ 0.22-0.08), including regions where the octet model is not applicable. Our technique allows the complete mapping of the k-space scattering origins of the spatial excitations in Bi2Sr2CaCu2O8+x, which allows for better comparisons between SI-STM and other experimental probes of the band structure. By applying our new technique to such a heavily studied compound, we can validate our new general approach for determining the k-space scattering origins from SI-STM data.

The k-space origins of scattering in Bi2Sr2CaCu2O8+x.

PubMed

Alldredge, Jacob W; Calleja, Eduardo M; Dai, Jixia; Eisaki, H; Uchida, S; McElroy, Kyle

2013-08-21

We demonstrate a general, computer automated procedure that inverts the reciprocal space scattering data (q-space) that are measured by spectroscopic imaging scanning tunnelling microscopy (SI-STM) in order to determine the momentum space (k-space) scattering structure. This allows a detailed examination of the k-space origins of the quasiparticle interference (QPI) pattern in Bi2Sr2CaCu2O8+x within the theoretical constraints of the joint density of states (JDOS). Our new method allows measurement of the differences between the positive and negative energy dispersions, the gap structure and an energy dependent scattering length scale. Furthermore, it resolves the transition between the dispersive QPI and the checkerboard ([Formula: see text] excitation). We have measured the k-space scattering structure over a wide range of doping (p ∼ 0.22-0.08), including regions where the octet model is not applicable. Our technique allows the complete mapping of the k-space scattering origins of the spatial excitations in Bi2Sr2CaCu2O8+x, which allows for better comparisons between SI-STM and other experimental probes of the band structure. By applying our new technique to such a heavily studied compound, we can validate our new general approach for determining the k-space scattering origins from SI-STM data.

Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method

NASA Astrophysics Data System (ADS)

Jeanmairet, Guillaume; Sharma, Sandeep; Alavi, Ali

2017-01-01

In this article we report a stochastic evaluation of the recently proposed multireference linearized coupled cluster theory [S. Sharma and A. Alavi, J. Chem. Phys. 143, 102815 (2015)]. In this method, both the zeroth-order and first-order wavefunctions are sampled stochastically by propagating simultaneously two populations of signed walkers. The sampling of the zeroth-order wavefunction follows a set of stochastic processes identical to the one used in the full configuration interaction quantum Monte Carlo (FCIQMC) method. To sample the first-order wavefunction, the usual FCIQMC algorithm is augmented with a source term that spawns walkers in the sampled first-order wavefunction from the zeroth-order wavefunction. The second-order energy is also computed stochastically but requires no additional overhead outside of the added cost of sampling the first-order wavefunction. This fully stochastic method opens up the possibility of simultaneously treating large active spaces to account for static correlation and recovering the dynamical correlation using perturbation theory. The method is used to study a few benchmark systems including the carbon dimer and aromatic molecules. We have computed the singlet-triplet gaps of benzene and m-xylylene. For m-xylylene, which has proved difficult for standard complete active space self consistent field theory with perturbative correction, we find the singlet-triplet gap to be in good agreement with the experimental values.

Domain Decomposition Algorithms for First-Order System Least Squares Methods

NASA Technical Reports Server (NTRS)

Pavarino, Luca F.

1996-01-01

Least squares methods based on first-order systems have been recently proposed and analyzed for second-order elliptic equations and systems. They produce symmetric and positive definite discrete systems by using standard finite element spaces, which are not required to satisfy the inf-sup condition. In this paper, several domain decomposition algorithms for these first-order least squares methods are studied. Some representative overlapping and substructuring algorithms are considered in their additive and multiplicative variants. The theoretical and numerical results obtained show that the classical convergence bounds (on the iteration operator) for standard Galerkin discretizations are also valid for least squares methods.

Order-disorder effects in structure and color relation of photonic-crystal-type nanostructures in butterfly wing scales.

PubMed

Márk, Géza I; Vértesy, Zofia; Kertész, Krisztián; Bálint, Zsolt; Biró, László P

2009-11-01

In order to study local and global order in butterfly wing scales possessing structural colors, we have developed a direct space algorithm, based on averaging the local environment of the repetitive units building up the structure. The method provides the statistical distribution of the local environments, including the histogram of the nearest-neighbor distance and the number of nearest neighbors. We have analyzed how the different kinds of randomness present in the direct space structure influence the reciprocal space structure. It was found that the Fourier method is useful in the case of a structure randomly deviating from an ordered lattice. The direct space averaging method remains applicable even for structures lacking long-range order. Based on the first Born approximation, a link is established between the reciprocal space image and the optical reflectance spectrum. Results calculated within this framework agree well with measured reflectance spectra because of the small width and moderate refractive index contrast of butterfly scales. By the analysis of the wing scales of Cyanophrys remus and Albulina metallica butterflies, we tested the methods for structures having long-range order, medium-range order, and short-range order.

Order-disorder effects in structure and color relation of photonic-crystal-type nanostructures in butterfly wing scales

NASA Astrophysics Data System (ADS)

Márk, Géza I.; Vértesy, Zofia; Kertész, Krisztián; Bálint, Zsolt; Biró, László P.

2009-11-01

In order to study local and global order in butterfly wing scales possessing structural colors, we have developed a direct space algorithm, based on averaging the local environment of the repetitive units building up the structure. The method provides the statistical distribution of the local environments, including the histogram of the nearest-neighbor distance and the number of nearest neighbors. We have analyzed how the different kinds of randomness present in the direct space structure influence the reciprocal space structure. It was found that the Fourier method is useful in the case of a structure randomly deviating from an ordered lattice. The direct space averaging method remains applicable even for structures lacking long-range order. Based on the first Born approximation, a link is established between the reciprocal space image and the optical reflectance spectrum. Results calculated within this framework agree well with measured reflectance spectra because of the small width and moderate refractive index contrast of butterfly scales. By the analysis of the wing scales of Cyanophrys remus and Albulina metallica butterflies, we tested the methods for structures having long-range order, medium-range order, and short-range order.

The wave equation in Friedmann-Robertson-Walker space-times and asymptotics of the intensity and distance relationship of a localised source

NASA Astrophysics Data System (ADS)

Starko, Darij; Craig, Walter

2018-04-01

Variations in redshift measurements of Type 1a supernovae and intensity observations from large sky surveys are an indicator of a component of acceleration in the rate of expansion of space-time. A key factor in the measurements is the intensity-distance relation for Maxwell's equations in Friedmann-Robertson-Walker (FRW) space-times. In view of future measurements of the decay of other fields on astronomical time and spatial scales, we determine the asymptotic behavior of the intensity-distance relationship for the solution of the wave equation in space-times with an FRW metric. This builds on previous work done on initial value problems for the wave equation in FRW space-time [Abbasi, B. and Craig, W., Proc. R. Soc. London, Ser. A 470, 20140361 (2014)]. In this paper, we focus on the precise intensity decay rates of the special cases for curvature k = 0 and k = -1, as well as giving a general derivation of the wave solution for -∞ < k < 0. We choose a Cauchy surface {(t, x) : t = t0 > 0} where t0 represents the time of an initial emission source, relative to the Big Bang singularity at t = 0. The initial data [g(x), h(x)] are assumed to be compactly supported; supp(g, h) ⊆ BR(0) and terms in the expression for the fundamental solution for the wave equation with the slowest decay rate are retained. The intensities calculated for coordinate time {t : t > 0} contain correction terms proportional to the ratio of t0 and the time differences ρ = t - t0. For the case of general curvature k, these expressions for the intensity reduce by scaling to the same form as for k = -1, from which we deduce the general formula. We note that for typical astronomical events such as Type 1a supernovae, the first order correction term for all curvatures -∞ < k < 0 is on the order of 10-4 smaller than the zeroth order term. These correction terms are small but may be significant in applications to alternative observations of cosmological space-time expansion rates.

Simulation of substrate degradation in composting of sewage sludge

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

Zhang Jun; Gao Ding, E-mail: gaod@igsnrr.ac.c; Chen Tongbin

2010-10-15

To simulate the substrate degradation kinetics of the composting process, this paper develops a mathematical model with a first-order reaction assumption and heat/mass balance equations. A pilot-scale composting test with a mixture of sewage sludge and wheat straw was conducted in an insulated reactor. The BVS (biodegradable volatile solids) degradation process, matrix mass, MC (moisture content), DM (dry matter) and VS (volatile solid) were simulated numerically by the model and experimental data. The numerical simulation offered a method for simulating k (the first-order rate constant) and estimating k{sub 20} (the first-order rate constant at 20 {sup o}C). After comparison withmore » experimental values, the relative error of the simulation value of the mass of the compost at maturity was 0.22%, MC 2.9%, DM 4.9% and VS 5.2%, which mean that the simulation is a good fit. The k of sewage sludge was simulated, and k{sub 20}, k{sub 20s} (first-order rate coefficient of slow fraction of BVS at 20 {sup o}C) of the sewage sludge were estimated as 0.082 and 0.015 d{sup -1}, respectively.« less

Solar Pumped High Power Solid State Laser for Space Applications

NASA Technical Reports Server (NTRS)

Fork, Richard L.; Laycock, Rustin L.; Green, Jason J. A.; Walker, Wesley W.; Cole, Spencer T.; Frederick, Kevin B.; Phillips, Dane J.

2004-01-01

Highly coherent laser light provides a nearly optimal means of transmitting power in space. The simplest most direct means of converting sunlight to coherent laser light is a solar pumped laser oscillator. A key need for broadly useful space solar power is a robust solid state laser oscillator capable of operating efficiently in near Earth space at output powers in the multi hundred kilowatt range. The principal challenges in realizing such solar pumped laser oscillators are: (1) the need to remove heat from the solid state laser material without introducing unacceptable thermal shock, thermal lensing, or thermal stress induced birefringence to a degree that improves on current removal rates by several orders of magnitude and (2) to introduce sunlight at an effective concentration (kW/sq cm of laser cross sectional area) that is several orders of magnitude higher than currently available while tolerating a pointing error of the spacecraft of several degrees. We discuss strategies for addressing these challenges. The need to remove the high densities of heat, e.g., 30 kW/cu cm, while keeping the thermal shock, thermal lensing and thermal stress induced birefringence loss sufficiently low is addressed in terms of a novel use of diamond integrated with the laser material, such as Ti:sapphire in a manner such that the waste heat is removed from the laser medium in an axial direction and in the diamond in a radial direction. We discuss means for concentrating sunlight to an effective areal density of the order of 30 kW/sq cm. The method integrates conventional imaging optics, non-imaging optics and nonlinear optics. In effect we use a method that combines some of the methods of optical pumping solid state materials and optical fiber, but also address laser media having areas sufficiently large, e.g., 1 cm diameter to handle the multi-hundred kilowatt level powers needed for space solar power.

Quantifying the accuracy of the tumor motion and area as a function of acceleration factor for the simulation of the dynamic keyhole magnetic resonance imaging method

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

Lee, Danny; Pollock, Sean; Keall, Paul, E-mail: paul.keall@sydney.edu.au

2016-05-15

Purpose: The dynamic keyhole is a new MR image reconstruction method for thoracic and abdominal MR imaging. To date, this method has not been investigated with cancer patient magnetic resonance imaging (MRI) data. The goal of this study was to assess the dynamic keyhole method for the task of lung tumor localization using cine-MR images reconstructed in the presence of respiratory motion. Methods: The dynamic keyhole method utilizes a previously acquired a library of peripheral k-space datasets at similar displacement and phase (where phase is simply used to determine whether the breathing is inhale to exhale or exhale to inhale)more » respiratory bins in conjunction with central k-space datasets (keyhole) acquired. External respiratory signals drive the process of sorting, matching, and combining the two k-space streams for each respiratory bin, thereby achieving faster image acquisition without substantial motion artifacts. This study was the first that investigates the impact of k-space undersampling on lung tumor motion and area assessment across clinically available techniques (zero-filling and conventional keyhole). In this study, the dynamic keyhole, conventional keyhole and zero-filling methods were compared to full k-space dataset acquisition by quantifying (1) the keyhole size required for central k-space datasets for constant image quality across sixty four cine-MRI datasets from nine lung cancer patients, (2) the intensity difference between the original and reconstructed images in a constant keyhole size, and (3) the accuracy of tumor motion and area directly measured by tumor autocontouring. Results: For constant image quality, the dynamic keyhole method, conventional keyhole, and zero-filling methods required 22%, 34%, and 49% of the keyhole size (P < 0.0001), respectively, compared to the full k-space image acquisition method. Compared to the conventional keyhole and zero-filling reconstructed images with the keyhole size utilized in the dynamic keyhole method, an average intensity difference of the dynamic keyhole reconstructed images (P < 0.0001) was minimal, and resulted in the accuracy of tumor motion within 99.6% (P < 0.0001) and the accuracy of tumor area within 98.0% (P < 0.0001) for lung tumor monitoring applications. Conclusions: This study demonstrates that the dynamic keyhole method is a promising technique for clinical applications such as image-guided radiation therapy requiring the MR monitoring of thoracic tumors. Based on the results from this study, the dynamic keyhole method could increase the imaging frequency by up to a factor of five compared with full k-space methods for real-time lung tumor MRI.« less

B and F Projection Methods for Nearly Incompressible Linear and Nonlinear Elasticity and Plasticity using Higher-order NURBS Elements

DTIC Science & Technology

2007-08-01

Infinite plate with a hole: sequence of meshes produced by h-refinement. The geometry of the coarsest mesh...recalled with an emphasis on k -refinement. In Section 3, the use of high-order NURBS within a projection technique is studied in the geometri - cally linear...case with a B̄ method to investigate the choice of approximation and projection spaces with NURBS.

Possible Existence of Two Amorphous Phases of D-Mannitol Related by a First-Order Transition

NASA Astrophysics Data System (ADS)

Zhu, Men; Wang, Jun-Qiang; Perepezko, John; Yu, Lian

We report that the common polyalcohol D-mannitol may have two amorphous phases related by a first-order transition. Slightly above Tg (284 K), the supercooled liquid (SCL) of D-mannitol transforms to a low-energy, apparently amorphous phase (Phase X). The enthalpy of Phase X is roughly halfway between those of the known amorphous and crystalline phases. The amorphous nature of Phase X is suggested by its absence of birefringence, transparency, broad X-ray diffraction, and broad Raman and NIR spectra. Phase X has greater molecular spacing, higher molecular order, fewer intra- and more inter-molecular hydrogen bonds than the normal liquid. On fast heating, Phase X transforms back to SCL near 330 K. Upon temperature cycling, it shows a glass-transition-like change of heat capacity. The presence of D-sorbitol enables a first-order liquid-liquid transition (LLT) from SCL to Phase X. This is the first report of polyamorphism at 1 atm for a pharmaceutical relevant substance. As amorphous solids are explored for many applications, polyamorphism could offer a tool to engineer the properties of materials. (Ref: M. Zhu et al., J. Chem. Phys. 2015, 142, 244504)

Analysis of delay reducing and fuel saving sequencing and spacing algorithms for arrival traffic

NASA Technical Reports Server (NTRS)

Neuman, Frank; Erzberger, Heinz

1991-01-01

The air traffic control subsystem that performs sequencing and spacing is discussed. The function of the sequencing and spacing algorithms is to automatically plan the most efficient landing order and to assign optimally spaced landing times to all arrivals. Several algorithms are described and their statistical performance is examined. Sequencing brings order to an arrival sequence for aircraft. First-come-first-served sequencing (FCFS) establishes a fair order, based on estimated times of arrival, and determines proper separations. Because of the randomness of the arriving traffic, gaps will remain in the sequence of aircraft. Delays are reduced by time-advancing the leading aircraft of each group while still preserving the FCFS order. Tightly spaced groups of aircraft remain with a mix of heavy and large aircraft. Spacing requirements differ for different types of aircraft trailing each other. Traffic is reordered slightly to take advantage of this spacing criterion, thus shortening the groups and reducing average delays. For heavy traffic, delays for different traffic samples vary widely, even when the same set of statistical parameters is used to produce each sample. This report supersedes NASA TM-102795 on the same subject. It includes a new method of time-advance as well as an efficient method of sequencing and spacing for two dependent runways.

Alternative Suspension System for Space Shuttle Avionics Shelf

NASA Technical Reports Server (NTRS)

Biele, Frank H., III

2010-01-01

Engineers working in the Aerospace field under deadlines and strict budgets often miss the opportunity to design something that is considered new or innovative, favoring instead to use the tried-and-true design over those that may, in fact, be more efficient. This thesis examines an electronic equipment stowage shelf suspended from a frame in the cargo bay (mid fuselage) of the United States Space Transportation System (STS), the Space Shuttle, and 3 alternative designs. Four different designs are examined and evaluated. The first design is a conventional truss, representing the tried and true approach. The second is a cable dome type structure consisting of struts and pre-stressed wiring. The third and fourth are double layer tensegrity systems consisting of contiguous struts of the order k=1 and k=2 respectively.

Isotope Induced Proton Ordering in Partially Deuterated Aspirin

NASA Astrophysics Data System (ADS)

Schiebel, P.; Papoular, R. J.; Paulus, W.; Zimmermann, H.; Detken, A.; Haeberlen, U.; Prandl, W.

1999-08-01

We report the nuclear density distribution of partially deuterated aspirin, C8H5O4-CH2D, at 300 and 15 K, as determined by neutron diffraction coupled with maximum entropy method image reconstruction. While fully protonated and fully deuterated methyl groups in aspirin are delocalized at low temperatures due to quantum mechanical tunneling, we provide here direct evidence that in aspirin- CH2D at 15 K the methyl hydrogens are localized, while randomly distributed over three sites at 300 K. This is the first observation by diffraction methods of low-temperature isotopic ordering in condensed matter.

Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

NASA Astrophysics Data System (ADS)

Shiozaki, Toru; Győrffy, Werner; Celani, Paolo; Werner, Hans-Joachim

2011-08-01

The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented.

Quantitative Analysis of First-Pass Contrast-Enhanced Myocardial Perfusion Multidetector CT Using a Patlak Plot Method and Extraction Fraction Correction During Adenosine Stress

NASA Astrophysics Data System (ADS)

Ichihara, Takashi; George, Richard T.; Silva, Caterina; Lima, Joao A. C.; Lardo, Albert C.

2011-02-01

The purpose of this study was to develop a quantitative method for myocardial blood flow (MBF) measurement that can be used to derive accurate myocardial perfusion measurements from dynamic multidetector computed tomography (MDCT) images by using a compartment model for calculating the first-order transfer constant (K1) with correction for the capillary transit extraction fraction (E). Six canine models of left anterior descending (LAD) artery stenosis were prepared and underwent first-pass contrast-enhanced MDCT perfusion imaging during adenosine infusion (0.14-0.21 mg/kg/min). K1 , which is the first-order transfer constant from left ventricular (LV) blood to myocardium, was measured using the Patlak plot method applied to time-attenuation curve data of the LV blood pool and myocardium. The results were compared against microsphere MBF measurements, and the extraction fraction of contrast agent was calculated. K1 is related to the regional MBF as K1=EF, E=(1-exp(-PS/F)), where PS is the permeability-surface area product and F is myocardial flow. Based on the above relationship, a look-up table from K1 to MBF can be generated and Patlak plot-derived K1 values can be converted to the calculated MBF. The calculated MBF and microsphere MBF showed a strong linear association. The extraction fraction in dogs as a function of flow (F) was E=(1-exp(-(0.2532F+0.7871)/F)) . Regional MBF can be measured accurately using the Patlak plot method based on a compartment model and look-up table with extraction fraction correction from K1 to MBF.

A priori error estimates for an hp-version of the discontinuous Galerkin method for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Bey, Kim S.; Oden, J. Tinsley

1993-01-01

A priori error estimates are derived for hp-versions of the finite element method for discontinuous Galerkin approximations of a model class of linear, scalar, first-order hyperbolic conservation laws. These estimates are derived in a mesh dependent norm in which the coefficients depend upon both the local mesh size h(sub K) and a number p(sub k) which can be identified with the spectral order of the local approximations over each element.

A k-space method for large-scale models of wave propagation in tissue.

PubMed

Mast, T D; Souriau, L P; Liu, D L; Tabei, M; Nachman, A I; Waag, R C

2001-03-01

Large-scale simulation of ultrasonic pulse propagation in inhomogeneous tissue is important for the study of ultrasound-tissue interaction as well as for development of new imaging methods. Typical scales of interest span hundreds of wavelengths; most current two-dimensional methods, such as finite-difference and finite-element methods, are unable to compute propagation on this scale with the efficiency needed for imaging studies. Furthermore, for most available methods of simulating ultrasonic propagation, large-scale, three-dimensional computations of ultrasonic scattering are infeasible. Some of these difficulties have been overcome by previous pseudospectral and k-space methods, which allow substantial portions of the necessary computations to be executed using fast Fourier transforms. This paper presents a simplified derivation of the k-space method for a medium of variable sound speed and density; the derivation clearly shows the relationship of this k-space method to both past k-space methods and pseudospectral methods. In the present method, the spatial differential equations are solved by a simple Fourier transform method, and temporal iteration is performed using a k-t space propagator. The temporal iteration procedure is shown to be exact for homogeneous media, unconditionally stable for "slow" (c(x) < or = c0) media, and highly accurate for general weakly scattering media. The applicability of the k-space method to large-scale soft tissue modeling is shown by simulating two-dimensional propagation of an incident plane wave through several tissue-mimicking cylinders as well as a model chest wall cross section. A three-dimensional implementation of the k-space method is also employed for the example problem of propagation through a tissue-mimicking sphere. Numerical results indicate that the k-space method is accurate for large-scale soft tissue computations with much greater efficiency than that of an analogous leapfrog pseudospectral method or a 2-4 finite difference time-domain method. However, numerical results also indicate that the k-space method is less accurate than the finite-difference method for a high contrast scatterer with bone-like properties, although qualitative results can still be obtained by the k-space method with high efficiency. Possible extensions to the method, including representation of absorption effects, absorbing boundary conditions, elastic-wave propagation, and acoustic nonlinearity, are discussed.

Hydrogen Ordering in Hexagonal Intermetallic AB5 Type Compounds

NASA Astrophysics Data System (ADS)

Sikora, W.; Kuna, A.

2008-04-01

Intermetallic compounds AB5 type (A = rare-earth atoms, B = transition metal) are known to store reversibly large amounts of hydrogen and as that are discussed in this work. It was shown that the alloy cycling stability can be significantly improved by employing the so-called non-stoichiometric compounds AB5+x and that is why analysis of change of structure turned out to be interesting. A tendency for ordering of hydrogen atoms is one of the most intriguing problems for the unsaturated hydrides. The symmetry analysis method in the frame of the theory of space group and their representation gives opportunity to find all possible transformations of the parent structure. In this work symmetry analysis method was applied for AB5+x structure type (P6/mmm parent symmetry space group). There were investigated all possible ordering types and accompanying atom displacements in positions 1a, 2c, 3g (fully occupied in stoichiometric compounds AB5), in positions 2e, 6l (where atom B could appear in non-stoichiometric compounds) and also 4h, 6m, 6k, 12n, 12o, which could be partly occupied by hydrogen as a result of hydrides. An analysis was carried out of all possible structures of lower symmetry, following from P6/mmm for we k=(0, 0, 0). Also the way of getting the structure described by the P63mc space group with double cell along the z-axiswe k=(0, 0, 0.5), as it is suggested in the work of Latroche et al. is discussed by the symmetry analysis. The analysis was obtained by computer program MODY. The program calculates the so-called basis vectors of irreducible representations of a given symmetry group, which can be used for calculation of possible ordering modes.

Spacecraft Charging Calculations: NASCAP-2K and SEE Spacecraft Charging Handbook

NASA Technical Reports Server (NTRS)

Davis, V. A.; Neergaard, L. F.; Mandell, M. J.; Katz, I.; Gardner, B. M.; Hilton, J. M.; Minor, J.

2002-01-01

For fifteen years NASA and the Air Force Charging Analyzer Program for Geosynchronous Orbits (NASCAP/GEO) has been the workhorse of spacecraft charging calculations. Two new tools, the Space Environment and Effects (SEE) Spacecraft Charging Handbook (recently released), and Nascap-2K (under development), use improved numeric techniques and modern user interfaces to tackle the same problem. The SEE Spacecraft Charging Handbook provides first-order, lower-resolution solutions while Nascap-2K provides higher resolution results appropriate for detailed analysis. This paper illustrates how the improvements in the numeric techniques affect the results.

First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions.

PubMed

Valiev, R R; Cherepanov, V N; Baryshnikov, G V; Sundholm, D

2018-02-28

A method for calculating the rate constants for internal-conversion (k IC ) and intersystem-crossing (k ISC ) processes within the adiabatic and Franck-Condon (FC) approximations is proposed. The applicability of the method is demonstrated by calculation of k IC and k ISC for a set of organic and organometallic compounds with experimentally known spectroscopic properties. The studied molecules were pyrromethene-567 dye, psoralene, hetero[8]circulenes, free-base porphyrin, naphthalene, and larger polyacenes. We also studied fac-Alq 3 and fac-Ir(ppy) 3 , which are important molecules in organic light emitting diodes (OLEDs). The excitation energies were calculated at the multi-configuration quasi-degenerate second-order perturbation theory (XMC-QDPT2) level, which is found to yield excitation energies in good agreement with experimental data. Spin-orbit coupling matrix elements, non-adiabatic coupling matrix elements, Huang-Rhys factors, and vibrational energies were calculated at the time-dependent density functional theory (TDDFT) and complete active space self-consistent field (CASSCF) levels. The computed fluorescence quantum yields for the pyrromethene-567 dye, psoralene, hetero[8]circulenes, fac-Alq 3 and fac-Ir(ppy) 3 agree well with experimental data, whereas for the free-base porphyrin, naphthalene, and the polyacenes, the obtained quantum yields significantly differ from the experimental values, because the FC and adiabatic approximations are not accurate for these molecules.

Two-spoke placement optimization under explicit specific absorption rate and power constraints in parallel transmission at ultra-high field.

PubMed

Dupas, Laura; Massire, Aurélien; Amadon, Alexis; Vignaud, Alexandre; Boulant, Nicolas

2015-06-01

The spokes method combined with parallel transmission is a promising technique to mitigate the B1(+) inhomogeneity at ultra-high field in 2D imaging. To date however, the spokes placement optimization combined with the magnitude least squares pulse design has never been done in direct conjunction with the explicit Specific Absorption Rate (SAR) and hardware constraints. In this work, the joint optimization of 2-spoke trajectories and RF subpulse weights is performed under these constraints explicitly and in the small tip angle regime. The problem is first considerably simplified by making the observation that only the vector between the 2 spokes is relevant in the magnitude least squares cost-function, thereby reducing the size of the parameter space and allowing a more exhaustive search. The algorithm starts from a set of initial k-space candidates and performs in parallel for all of them optimizations of the RF subpulse weights and the k-space locations simultaneously, under explicit SAR and power constraints, using an active-set algorithm. The dimensionality of the spoke placement parameter space being low, the RF pulse performance is computed for every location in k-space to study the robustness of the proposed approach with respect to initialization, by looking at the probability to converge towards a possible global minimum. Moreover, the optimization of the spoke placement is repeated with an increased pulse bandwidth in order to investigate the impact of the constraints on the result. Bloch simulations and in vivo T2(∗)-weighted images acquired at 7 T validate the approach. The algorithm returns simulated normalized root mean square errors systematically smaller than 5% in 10 s. Copyright © 2015 Elsevier Inc. All rights reserved.

Differential characters and cohomology of the moduli of flat connections

NASA Astrophysics Data System (ADS)

Castrillón López, Marco; Ferreiro Pérez, Roberto

2018-05-01

Let π {:} P→ M be a principal bundle and p an invariant polynomial of degree r on the Lie algebra of the structure group. The theory of Chern-Simons differential characters is exploited to define a homology map χ k {:} H_{2r-k-1}(M)× Hk(F/G)→ R/Z , for k

Direct Energy Conversion for Low Specific Mass In-Space Power and Propulsion

NASA Technical Reports Server (NTRS)

Scott, John H.; George, Jeffrey A.; Tarditi, Alfonso G.

2013-01-01

"Changing the game" in space exploration involves changing the paradigm for the human exploration of the Solar System, e.g, changing the human exploration of Mars from a three-year epic event to an annual expedition. For the purposes of this assessment an "annual expedition" capability is defined as an in-space power & propulsion system which, with launch mass limits as defined in NASA s Mars Architecture 5.0, enables sending a crew to Mars and returning them after a 30-day surface stay within one year, irrespective of planetary alignment. In this work the authors intend to show that obtaining this capability requires the development of an in-space power & propulsion system with an end-to-end specific mass considerably less than 3 kg/kWe. A first order energy balance analysis reveals that the technologies required to create a system with this specific mass include direct energy conversion and nuclear sources that release energy in the form of charged particle beams. This paper lays out this first order approximation and details these conclusions.

Solitary Potential in a Space Plasma Containing Dynamical Heavy Ions and Bi-Kappa Distributed Electrons of Two Distinct Temperatures

NASA Astrophysics Data System (ADS)

Sarker, M.; Hosen, B.; Hossen, M. R.; Mamun, A. A.

2018-01-01

The heavy ion-acoustic solitary waves (HIASWs) in a magnetized, collisionless, space plasma system (containing dynamical heavy ions and bi-kappa distributed electrons of two distinct temperatures) have been theoretically investigated. The Korteweg-de Vries (K-dV), modified K-dV (MK-dV), and higher-order MK-dV (HMK-dV) equations are derived by employing the reductive perturbation method. The basic features of HIASWs (viz. speed, polarity, amplitude, width, etc.) are found to be significantly modified by the effects of number density and temperature of different plasma species, and external magnetic field (obliqueness). The K-dV and HM-KdV equations give rise to both compressive and rarefactive solitary structures, whereas the MK-dV equation supports only the compressive solitary structures. The implication of our results in some space and laboratory plasma situations are briefly discussed.

Robust control with structured perturbations

NASA Technical Reports Server (NTRS)

Keel, Leehyun

1988-01-01

Two important problems in the area of control systems design and analysis are discussed. The first is the robust stability using characteristic polynomial, which is treated first in characteristic polynomial coefficient space with respect to perturbations in the coefficients of the characteristic polynomial, and then for a control system containing perturbed parameters in the transfer function description of the plant. In coefficient space, a simple expression is first given for the l(sup 2) stability margin for both monic and non-monic cases. Following this, a method is extended to reveal much larger stability region. This result has been extended to the parameter space so that one can determine the stability margin, in terms of ranges of parameter variations, of the closed loop system when the nominal stabilizing controller is given. The stability margin can be enlarged by a choice of better stabilizing controller. The second problem describes the lower order stabilization problem, the motivation of the problem is as follows. Even though the wide range of stabilizing controller design methodologies is available in both the state space and transfer function domains, all of these methods produce unnecessarily high order controllers. In practice, the stabilization is only one of many requirements to be satisfied. Therefore, if the order of a stabilizing controller is excessively high, one can normally expect to have a even higher order controller on the completion of design such as inclusion of dynamic response requirements, etc. Therefore, it is reasonable to have a lowest possible order stabilizing controller first and then adjust the controller to meet additional requirements. The algorithm for designing a lower order stabilizing controller is given. The algorithm does not necessarily produce the minimum order controller; however, the algorithm is theoretically logical and some simulation results show that the algorithm works in general.

Investigation of a novel image segmentation method dedicated to forest fire applications

NASA Astrophysics Data System (ADS)

Rudz, S.; Chetehouna, K.; Hafiane, A.; Laurent, H.; Séro-Guillaume, O.

2013-07-01

To face fire it is crucial to understand its behaviour in order to maximize fighting means. To achieve this task, the development of a metrological tool is necessary for estimating both geometrical and physical parameters involved in forest fire modelling. A key parameter is to estimate fire positions accurately. In this paper an image processing tool especially dedicated to an accurate extraction of fire from an image is presented. In this work, the clustering on several colour spaces is investigated and it appears that the blue chrominance Cb from the YCbCr colour space is the most appropriate. As a consequence, a new segmentation algorithm dedicated to forest fire applications has been built using first an optimized k-means clustering in the Cb-channel and then some properties of fire pixels in the RGB colour space. Next, the performance of the proposed method is evaluated using three supervised evaluation criteria and then compared to other existing segmentation algorithms in the literature. Finally a conclusion is drawn, assessing the good behaviour of the developed algorithm. This paper is dedicated to the memory of Dr Olivier Séro-Guillaume (1950-2013), CNRS Research Director.

Illustrated structural application of universal first-order reliability method

NASA Technical Reports Server (NTRS)

Verderaime, V.

1994-01-01

The general application of the proposed first-order reliability method was achieved through the universal normalization of engineering probability distribution data. The method superimposes prevailing deterministic techniques and practices on the first-order reliability method to surmount deficiencies of the deterministic method and provide benefits of reliability techniques and predictions. A reliability design factor is derived from the reliability criterion to satisfy a specified reliability and is analogous to the deterministic safety factor. Its application is numerically illustrated on several practical structural design and verification cases with interesting results and insights. Two concepts of reliability selection criteria are suggested. Though the method was developed to support affordable structures for access to space, the method should also be applicable for most high-performance air and surface transportation systems.

Space-time least-squares Petrov-Galerkin projection in nonlinear model reduction.

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

Choi, Youngsoo; Carlberg, Kevin Thomas

Our work proposes a space-time least-squares Petrov-Galerkin (ST-LSPG) projection method for model reduction of nonlinear dynamical systems. In contrast to typical nonlinear model-reduction methods that first apply Petrov-Galerkin projection in the spatial dimension and subsequently apply time integration to numerically resolve the resulting low-dimensional dynamical system, the proposed method applies projection in space and time simultaneously. To accomplish this, the method first introduces a low-dimensional space-time trial subspace, which can be obtained by computing tensor decompositions of state-snapshot data. The method then computes discrete-optimal approximations in this space-time trial subspace by minimizing the residual arising after time discretization over allmore » space and time in a weighted ℓ 2-norm. This norm can be de ned to enable complexity reduction (i.e., hyper-reduction) in time, which leads to space-time collocation and space-time GNAT variants of the ST-LSPG method. Advantages of the approach relative to typical spatial-projection-based nonlinear model reduction methods such as Galerkin projection and least-squares Petrov-Galerkin projection include: (1) a reduction of both the spatial and temporal dimensions of the dynamical system, (2) the removal of spurious temporal modes (e.g., unstable growth) from the state space, and (3) error bounds that exhibit slower growth in time. Numerical examples performed on model problems in fluid dynamics demonstrate the ability of the method to generate orders-of-magnitude computational savings relative to spatial-projection-based reduced-order models without sacrificing accuracy.« less

Thermodynamic functions of Fermi gas with quadruple BCS-type binding potential

NASA Astrophysics Data System (ADS)

Tarasewicz, P.; Maćkowiak, J.

2000-01-01

A gas of spin 1/2 fermions with an interaction V+ W=-2 γ∑ kχ( k) bk* bk+-| Λ| -1g∑ k, k‧ χ( k) χ( k‧) bk* bk* bk‧ b- k‧ , where bk= ak+ ak- and akσ , ak‧ σ‧ satisfy Fermi anticommutation relations, is investigated by the method of Mühlschlegel. W+ V is nonzero only within a thin layer of single-fermion energies around the chemical potential μ and χ( k) denotes the characteristic function of the corresponding range of momenta. Two cases are studied: 1 0γ=0, 2 0γ=0.10025 eV. In the first case, the system exhibits a first-order transition, in the second the transition is second order. The temperature dependence of the system's thermodynamic functions is examined and compared with that of the BCS model.

Photometry of Main Belt and Trojan asteroids with K2

NASA Astrophysics Data System (ADS)

Szabó, Gyula; Kiss, Csaba; Pal, Andras; Szabo, Robert

2016-10-01

Due to the failure of the second reaction wheel, a new mission was conceived for the otherwise healthy Kepler space telescope. In the course of the K2 Mission, the telescope is staring at the plane of the Ecliptic, hence thousands of Solar System bodies cross the K2 fields, usually causing extra noise in the highly accurate photometric data.We could measure the first continuous asteroid light curves, covering several days wthout interruption, that has been unprecedented to date. We studied the K2 superstamps covering the M35 and Neptune/Nereid fields observed in the long cadence (29.4-min sampling) mode. Asteroid light curves are generated by applying elongated apertures. We investigated the photometric precision that the K2 Mission can deliver on moving Solar System bodies, and determined the first uninterrupted optical light curves of main-belt and Trojan asteroids. We use thed Lomb-Scargle method to find periodicities due to rotation.We derived K2 light curves of 924 main-belt asteroids in the M35 field, and 96 in the path of Neptune and Nereid. Due to the faintness of the asteroids and the high density of stars in the M35 field, 4.0% of the asteroids with at least 12 data points show clear periodicities or trend signalling a long rotational period, as opposed to 15.9% in the less crowded Neptune field. We found that the duty cycle of the observations had to reach ˜ 60% in order to successfully recover rotational periods.The derived period-amplitude diagram is consistent to the known distribution of Main Belt asteroids. For Trojan asteroids, the contribution of our 56 objects with newly determined precise period and amplitude is in the order of all previously known asteroids. The comparison with earth-based determinations showed a previous bias toward short periods and has also proven that asteroid periods >20 hour can be unreliable in a few cases because of daylight time and diurnal calibrations. These biases are avoided from the space. We present an unbiased sample of rotation periods and identify a higher rate of slow rotators. We also found multiple periods of large asteroids that has not been observed earlier and still needs explanation.

Dynamical electron diffraction simulation for non-orthogonal crystal system by a revised real space method.

PubMed

Lv, C L; Liu, Q B; Cai, C Y; Huang, J; Zhou, G W; Wang, Y G

2015-01-01

In the transmission electron microscopy, a revised real space (RRS) method has been confirmed to be a more accurate dynamical electron diffraction simulation method for low-energy electron diffraction than the conventional multislice method (CMS). However, the RRS method can be only used to calculate the dynamical electron diffraction of orthogonal crystal system. In this work, the expression of the RRS method for non-orthogonal crystal system is derived. By taking Na2 Ti3 O7 and Si as examples, the correctness of the derived RRS formula for non-orthogonal crystal system is confirmed by testing the coincidence of numerical results of both sides of Schrödinger equation; moreover, the difference between the RRS method and the CMS for non-orthogonal crystal system is compared at the accelerating voltage range from 40 to 10 kV. Our results show that the CMS method is almost the same as the RRS method for the accelerating voltage above 40 kV. However, when the accelerating voltage is further lowered to 20 kV or below, the CMS method introduces significant errors, not only for the higher-order Laue zone diffractions, but also for zero-order Laue zone. These indicate that the RRS method for non-orthogonal crystal system is necessary to be used for more accurate dynamical simulation when the accelerating voltage is low. Furthermore, the reason for the increase of differences between those diffraction patterns calculated by the RRS method and the CMS method with the decrease of the accelerating voltage is discussed. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

Geometric shapes inversion method of space targets by ISAR image segmentation

NASA Astrophysics Data System (ADS)

Huo, Chao-ying; Xing, Xiao-yu; Yin, Hong-cheng; Li, Chen-guang; Zeng, Xiang-yun; Xu, Gao-gui

2017-11-01

The geometric shape of target is an effective characteristic in the process of space targets recognition. This paper proposed a method of shape inversion of space target based on components segmentation from ISAR image. The Radon transformation, Hough transformation, K-means clustering, triangulation will be introduced into ISAR image processing. Firstly, we use Radon transformation and edge detection to extract space target's main body spindle and solar panel spindle from ISAR image. Then the targets' main body, solar panel, rectangular and circular antenna are segmented from ISAR image based on image detection theory. Finally, the sizes of every structural component are computed. The effectiveness of this method is verified using typical targets' simulation data.

Nontraditional method for determining unperturbed orbits of unknown space objects using incomplete optical observational data

NASA Astrophysics Data System (ADS)

Perov, N. I.

1985-02-01

A physical-geometrical method for computing the orbits of earth satellites on the basis of an inadequate number of angular observations (N3) was developed. Specifically, a new method has been developed for calculating the elements of Keplerian orbits of unidentified artificial satellites using two angular observations (alpha sub k, S sub k, k = 1). The first section gives procedures for determining the topocentric distance to AES on the basis of one optical observation. This is followed by description of a very simple method for determining unperturbed orbits using two satellite position vectors and a time interval which is applicable even in the case of antiparallel AED position vectors, a method designated the R sub 2 iterations method.

Use of NMR logging to obtain estimates of hydraulic conductivity in the High Plains aquifer, Nebraska, USA

USGS Publications Warehouse

Dlubac, Katherine; Knight, Rosemary; Song, Yi-Qiao; Bachman, Nate; Grau, Ben; Cannia, Jim; Williams, John

2013-01-01

Hydraulic conductivity (K) is one of the most important parameters of interest in groundwater applications because it quantifies the ease with which water can flow through an aquifer material. Hydraulic conductivity is typically measured by conducting aquifer tests or wellbore flow (WBF) logging. Of interest in our research is the use of proton nuclear magnetic resonance (NMR) logging to obtain information about water-filled porosity and pore space geometry, the combination of which can be used to estimate K. In this study, we acquired a suite of advanced geophysical logs, aquifer tests, WBF logs, and sidewall cores at the field site in Lexington, Nebraska, which is underlain by the High Plains aquifer. We first used two empirical equations developed for petroleum applications to predict K from NMR logging data: the Schlumberger Doll Research equation (KSDR) and the Timur-Coates equation (KT-C), with the standard empirical constants determined for consolidated materials. We upscaled our NMR-derived K estimates to the scale of the WBF-logging K(KWBF-logging) estimates for comparison. All the upscaled KT-C estimates were within an order of magnitude of KWBF-logging and all of the upscaled KSDR estimates were within 2 orders of magnitude of KWBF-logging. We optimized the fit between the upscaled NMR-derived K and KWBF-logging estimates to determine a set of site-specific empirical constants for the unconsolidated materials at our field site. We conclude that reliable estimates of K can be obtained from NMR logging data, thus providing an alternate method for obtaining estimates of K at high levels of vertical resolution.

Development of upwind schemes for the Euler equations

NASA Technical Reports Server (NTRS)

Chakravarthy, Sukumar R.

1987-01-01

Described are many algorithmic and computational aspects of upwind schemes and their second-order accurate formulations based on Total-Variation-Diminishing (TVD) approaches. An operational unification of the underlying first-order scheme is first presented encompassing Godunov's, Roe's, Osher's, and Split-Flux methods. For higher order versions, the preprocessing and postprocessing approaches to constructing TVD discretizations are considered. TVD formulations can be used to construct relaxation methods for unfactored implicit upwind schemes, which in turn can be exploited to construct space-marching procedures for even the unsteady Euler equations. A major part of the report describes time- and space-marching procedures for solving the Euler equations in 2-D, 3-D, Cartesian, and curvilinear coordinates. Along with many illustrative examples, several results of efficient computations on 3-D supersonic flows with subsonic pockets are presented.

A Fourier-based compressed sensing technique for accelerated CT image reconstruction using first-order methods.

PubMed

Choi, Kihwan; Li, Ruijiang; Nam, Haewon; Xing, Lei

2014-06-21

As a solution to iterative CT image reconstruction, first-order methods are prominent for the large-scale capability and the fast convergence rate [Formula: see text]. In practice, the CT system matrix with a large condition number may lead to slow convergence speed despite the theoretically promising upper bound. The aim of this study is to develop a Fourier-based scaling technique to enhance the convergence speed of first-order methods applied to CT image reconstruction. Instead of working in the projection domain, we transform the projection data and construct a data fidelity model in Fourier space. Inspired by the filtered backprojection formalism, the data are appropriately weighted in Fourier space. We formulate an optimization problem based on weighted least-squares in the Fourier space and total-variation (TV) regularization in image space for parallel-beam, fan-beam and cone-beam CT geometry. To achieve the maximum computational speed, the optimization problem is solved using a fast iterative shrinkage-thresholding algorithm with backtracking line search and GPU implementation of projection/backprojection. The performance of the proposed algorithm is demonstrated through a series of digital simulation and experimental phantom studies. The results are compared with the existing TV regularized techniques based on statistics-based weighted least-squares as well as basic algebraic reconstruction technique. The proposed Fourier-based compressed sensing (CS) method significantly improves both the image quality and the convergence rate compared to the existing CS techniques.

Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category.

PubMed

Yosipof, Abraham; Guedes, Rita C; García-Sosa, Alfonso T

2018-01-01

Data mining approaches can uncover underlying patterns in chemical and pharmacological property space decisive for drug discovery and development. Two of the most common approaches are visualization and machine learning methods. Visualization methods use dimensionality reduction techniques in order to reduce multi-dimension data into 2D or 3D representations with a minimal loss of information. Machine learning attempts to find correlations between specific activities or classifications for a set of compounds and their features by means of recurring mathematical models. Both models take advantage of the different and deep relationships that can exist between features of compounds, and helpfully provide classification of compounds based on such features or in case of visualization methods uncover underlying patterns in the feature space. Drug-likeness has been studied from several viewpoints, but here we provide the first implementation in chemoinformatics of the t-Distributed Stochastic Neighbor Embedding (t-SNE) method for the visualization and the representation of chemical space, and the use of different machine learning methods separately and together to form a new ensemble learning method called AL Boost. The models obtained from AL Boost synergistically combine decision tree, random forests (RF), support vector machine (SVM), artificial neural network (ANN), k nearest neighbors (kNN), and logistic regression models. In this work, we show that together they form a predictive model that not only improves the predictive force but also decreases bias. This resulted in a corrected classification rate of over 0.81, as well as higher sensitivity and specificity rates for the models. In addition, separation and good models were also achieved for disease categories such as antineoplastic compounds and nervous system diseases, among others. Such models can be used to guide decision on the feature landscape of compounds and their likeness to either drugs or other characteristics, such as specific or multiple disease-category(ies) or organ(s) of action of a molecule.

Sound Shell Model for Acoustic Gravitational Wave Production at a First-Order Phase Transition in the Early Universe.

PubMed

Hindmarsh, Mark

2018-02-16

A model for the acoustic production of gravitational waves at a first-order phase transition is presented. The source of gravitational radiation is the sound waves generated by the explosive growth of bubbles of the stable phase. The model assumes that the sound waves are linear and that their power spectrum is determined by the characteristic form of the sound shell around the expanding bubble. The predicted power spectrum has two length scales, the average bubble separation and the sound shell width when the bubbles collide. The peak of the power spectrum is at wave numbers set by the sound shell width. For a higher wave number k, the power spectrum decreases to k^{-3}. At wave numbers below the inverse bubble separation, the power spectrum goes to k^{5}. For bubble wall speeds near the speed of sound where these two length scales are distinguished, there is an intermediate k^{1} power law. The detailed dependence of the power spectrum on the wall speed and the other parameters of the phase transition raises the possibility of their constraint or measurement at a future space-based gravitational wave observatory such as LISA.

Sound Shell Model for Acoustic Gravitational Wave Production at a First-Order Phase Transition in the Early Universe

NASA Astrophysics Data System (ADS)

Hindmarsh, Mark

2018-02-01

A model for the acoustic production of gravitational waves at a first-order phase transition is presented. The source of gravitational radiation is the sound waves generated by the explosive growth of bubbles of the stable phase. The model assumes that the sound waves are linear and that their power spectrum is determined by the characteristic form of the sound shell around the expanding bubble. The predicted power spectrum has two length scales, the average bubble separation and the sound shell width when the bubbles collide. The peak of the power spectrum is at wave numbers set by the sound shell width. For a higher wave number k , the power spectrum decreases to k-3. At wave numbers below the inverse bubble separation, the power spectrum goes to k5. For bubble wall speeds near the speed of sound where these two length scales are distinguished, there is an intermediate k1 power law. The detailed dependence of the power spectrum on the wall speed and the other parameters of the phase transition raises the possibility of their constraint or measurement at a future space-based gravitational wave observatory such as LISA.

Improved venous suppression on renal MR angiography with recessed elliptical centric ordering of K-space.

PubMed

Ho, Bernard; Chao, Minh; Zhang, Hong Lei; Watts, Richard; Prince, Martin R

2003-01-01

To evaluate recessed elliptical centric ordering of k-space in renal magnetic resonance (MR) angiography. All imaging was performed on the same 1.5 T MR imaging system (GE Signa CVi) using the body coil for signal transmission and a phased array coil for reception. Gd, 30 ml, was injected manually at 2 ml/sec timed with automatic triggering (SmartPrep). In thirty patients using standard elliptical centric ordering, the scanner paused 8 seconds between detection of the leading edge of the Gd bolus and initiation of scanning beginning with the center of k-space. For the recessed-elliptical centric ordering in 20 consecutive patients, this delay was reduced to 4 seconds but the absolute center of k-space recessed in by 4 seconds such that in all patients the absolute center of k-space was acquired 8 seconds after detecting the leading edge of the bolus. On the arterial phase images signal-to-noise ratio (SNR) was measured in the aorta, each renal artery and vein and contrast-to-noise ratio (CNR) was measured relative to subcutaneous fat. The standard deviation of signal outside the patient was considered to be "noise" for calculation of SNR and CNR. Incidence of ringing artifact in the aorta and renal veins was noted. Aorta SNR and CNR was significantly higher with the recessed technique (p = 0.02) and the ratio of renal artery signal to renal vein signal was higher with the recessed technique, 4 ± 2, compared to standard elliptical centric, 3 ± 2 (p = 0.03). Ringing artifact was also reduced with the recessed technique in both the aorta and renal veins. Gadolinium-enhanced renal MR angiography is improved by recessing the absolute center of k-space.

Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4

NASA Astrophysics Data System (ADS)

Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.

2018-02-01

We report a detailed experimental and theoretical investigation of structural, optical, magnetic and magnetothermal properties of single crystals of a new organic-inorganic hybrid (C2H5NH3)2CoCl4. Grown by slow evaporation method at room temperature, the compound crystallizes in centrosymmetric orthorhombic structure (Pnma) which undergoes a reversible phase transition at 235/241 K (cooling/heating) to noncentrosymmetric P212121 space group symmetry associated with order-disorder transformation of carbon atoms of the ammonium cations as well as molecular rearrangement. Electronic absorption spectra of the compound are typical of geometrically distorted [CoCl4]2- tetrahedra having spin-orbit coupling effect. The isolated nature of [CoCl4]2- tetrahedra in the crystal reflect in paramagnetic behaviour of the compound. Interestingly, field induced spin flipping behaviour is observed at low temperature. First principles density functional calculations reveal weak magnetic interaction among cobalt spins with ferromagnetic state being the ground state. The entropy change associated with the spin flipping has been experimentally estimated by magnetic and heat capacity measurements which has a maximum value of 16 J Kg-1 K-1 at 2.5 K under 7 T magnetic field. To the best of our knowledge, this is the first report on magnetocaloric effect observed in an organic-inorganic halide compound. The estimated value is sizable and is comparable to that of well-known transition metal molecular cluster magnets Mn12 or Fe14. The overall findings promise to enlighten new routes to design and constitute multifunctional organic-inorganic halide materials.

Activities of JAXA's Innovative Technology Center on Space Debris Observation

NASA Astrophysics Data System (ADS)

Yanagisawa, T.; Kurosaki, H.; Nakajima, A.

The innovative technology research center of JAXA is developing observational technologies for GEO objects in order to cope with the space debris problem. The center had constructed the optical observational facility for space debris at Mt. Nyukasa, Nagano in 2006. As observational equipments such as CCD cameras and telescopes were set up, the normal observation started. In this paper, the detail of the facilities and its activities are introduced. The observational facility contains two telescopes and two CCD cameras. The apertures of the telescopes are 35cm and 25 cm, respectively. One CCD camera in which 2K2K chip is installed can observe a sky region of 1.3 times 1.3-degree using the 35cm telescope. The other CCD camera that contains two 4K2K chips has an ability to observe 2.6 times 2.6-degree's region with the 25cm telescope. One of our main objectives is to detect faint GEO objects that are not catalogued. Generally, the detection limit of GEO object is determined by the aperture of the telescope. However, by improving image processing techniques, the limit may become low. We are developing some image processing methods that use many CCD frames to detect faint objects. We are trying to use FPGA (Field Programmable Gate Array) system to reduce analyzing time. By applying these methods to the data taken by a large telescope, the detection limit will be significantly lowered. The orbital determination of detected GEO debris is one of the important things to do. Especially, the narrow field view of an optical telescope hinders us from re-detection of the GEO debris for the orbital determination. Long observation time is required for one GEO object for the orbital determination that is inefficient. An effective observation strategy should be considered. We are testing one observation method invented by Umehara that observes one inertia position in the space. By observing one inertia position for two nights, a GEO object that passed through the position in the first night must pass through the position in the second night. The rough orbit is determined from two nights' data. The test observation showed that this method was able to detect many GEO objects and determined their orbits by three nights' observations. We also joined the campaign observations of IADC(Inter-Agency Space Debris Coordination Committee). By analyzing the observed data with the method that we developed, 88 catalogued and 38 un-catalogued objects were detected. The magnitude of the faintest object detected in this campaign observation was 18.5. The object is un-detectable by human inspection.

An assessment model for quality management

NASA Astrophysics Data System (ADS)

Völcker, Chr.; Cass, A.; Dorling, A.; Zilioli, P.; Secchi, P.

2002-07-01

SYNSPACE together with InterSPICE and Alenia Spazio is developing an assessment method to determine the capability of an organisation in the area of quality management. The method, sponsored by the European Space Agency (ESA), is called S9kS (SPiCE- 9000 for SPACE). S9kS is based on ISO 9001:2000 with additions from the quality standards issued by the European Committee for Space Standardization (ECSS) and ISO 15504 - Process Assessments. The result is a reference model that supports the expansion of the generic process assessment framework provided by ISO 15504 to nonsoftware areas. In order to be compliant with ISO 15504, requirements from ISO 9001 and ECSS-Q-20 and Q-20-09 have been turned into process definitions in terms of Purpose and Outcomes, supported by a list of detailed indicators such as Practices, Work Products and Work Product Characteristics. In coordination with this project, the capability dimension of ISO 15504 has been revised to be consistent with ISO 9001. As contributions from ISO 9001 and the space quality assurance standards are separable, the stripped down version S9k offers organisations in all industries an assessment model based solely on ISO 9001, and is therefore interesting to all organisations, which intend to improve their quality management system based on ISO 9001.

Joint 6D k-q Space Compressed Sensing for Accelerated High Angular Resolution Diffusion MRI.

PubMed

Cheng, Jian; Shen, Dinggang; Basser, Peter J; Yap, Pew-Thian

2015-01-01

High Angular Resolution Diffusion Imaging (HARDI) avoids the Gaussian. diffusion assumption that is inherent in Diffusion Tensor Imaging (DTI), and is capable of characterizing complex white matter micro-structure with greater precision. However, HARDI methods such as Diffusion Spectrum Imaging (DSI) typically require significantly more signal measurements than DTI, resulting in prohibitively long scanning times. One of the goals in HARDI research is therefore to improve estimation of quantities such as the Ensemble Average Propagator (EAP) and the Orientation Distribution Function (ODF) with a limited number of diffusion-weighted measurements. A popular approach to this problem, Compressed Sensing (CS), affords highly accurate signal reconstruction using significantly fewer (sub-Nyquist) data points than required traditionally. Existing approaches to CS diffusion MRI (CS-dMRI) mainly focus on applying CS in the q-space of diffusion signal measurements and fail to take into consideration information redundancy in the k-space. In this paper, we propose a framework, called 6-Dimensional Compressed Sensing diffusion MRI (6D-CS-dMRI), for reconstruction of the diffusion signal and the EAP from data sub-sampled in both 3D k-space and 3D q-space. To our knowledge, 6D-CS-dMRI is the first work that applies compressed sensing in the full 6D k-q space and reconstructs the diffusion signal in the full continuous q-space and the EAP in continuous displacement space. Experimental results on synthetic and real data demonstrate that, compared with full DSI sampling in k-q space, 6D-CS-dMRI yields excellent diffusion signal and EAP reconstruction with low root-mean-square error (RMSE) using 11 times less samples (3-fold reduction in k-space and 3.7-fold reduction in q-space).

Border preserving skin lesion segmentation

NASA Astrophysics Data System (ADS)

Kamali, Mostafa; Samei, Golnoosh

2008-03-01

Melanoma is a fatal cancer with a growing incident rate. However it could be cured if diagnosed in early stages. The first step in detecting melanoma is the separation of skin lesion from healthy skin. There are particular features associated with a malignant lesion whose successful detection relies upon accurately extracted borders. We propose a two step approach. First, we apply K-means clustering method (to 3D RGB space) that extracts relatively accurate borders. In the second step we perform an extra refining step for detecting the fading area around some lesions as accurately as possible. Our method has a number of novelties. Firstly as the clustering method is directly applied to the 3D color space, we do not overlook the dependencies between different color channels. In addition, it is capable of extracting fine lesion borders up to pixel level in spite of the difficulties associated with fading areas around the lesion. Performing clustering in different color spaces reveals that 3D RGB color space is preferred. The application of the proposed algorithm to an extensive data-base of skin lesions shows that its performance is superior to that of existing methods both in terms of accuracy and computational complexity.

A third-order implicit discontinuous Galerkin method based on a Hermite WENO reconstruction for time-accurate solution of the compressible Navier-Stokes equations

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

Xia, Yidong; Liu, Xiaodong; Luo, Hong

2015-06-01

Here, a space and time third-order discontinuous Galerkin method based on a Hermite weighted essentially non-oscillatory reconstruction is presented for the unsteady compressible Euler and Navier–Stokes equations. At each time step, a lower-upper symmetric Gauss–Seidel preconditioned generalized minimal residual solver is used to solve the systems of linear equations arising from an explicit first stage, single diagonal coefficient, diagonally implicit Runge–Kutta time integration scheme. The performance of the developed method is assessed through a variety of unsteady flow problems. Numerical results indicate that this method is able to deliver the designed third-order accuracy of convergence in both space and time,more » while requiring remarkably less storage than the standard third-order discontinous Galerkin methods, and less computing time than the lower-order discontinous Galerkin methods to achieve the same level of temporal accuracy for computing unsteady flow problems.« less

The role of order-disorder transitions in the quest for molecular multiferroics: structural and magnetic neutron studies of a mixed valence iron(II)-iron(III) formate framework.

PubMed

Cañadillas-Delgado, Laura; Fabelo, Oscar; Rodríguez-Velamazán, J Alberto; Lemée-Cailleau, Marie-Hélène; Mason, Sax A; Pardo, Emilio; Lloret, Francesc; Zhao, Jiong-Peng; Bu, Xian-He; Simonet, Virginie; Colin, Claire V; Rodríguez-Carvajal, Juan

2012-12-05

Neutron diffraction studies have been carried out to shed light on the unprecedented order-disorder phase transition (ca. 155 K) observed in the mixed-valence iron(II)-iron(III) formate framework compound [NH(2)(CH(3))(2)](n)[Fe(III)Fe(II)(HCOO)(6)](n). The crystal structure at 220 K was first determined from Laue diffraction data, then a second refinement at 175 K and the crystal structure determination in the low temperature phase at 45 K were done with data from the monochromatic high resolution single crystal diffractometer D19. The 45 K nuclear structure reveals that the phase transition is associated with the order-disorder of the dimethylammonium counterion that is weakly anchored in the cavities of the [Fe(III)Fe(II)(HCOO)(6)](n) framework. In the low-temperature phase, a change in space group from P31c to R3c occurs, involving a tripling of the c-axis due to the ordering of the dimethylammonium counterion. The occurrence of this nuclear phase transition is associated with an electric transition, from paraelectric to antiferroelectric. A combination of powder and single crystal neutron diffraction measurements below the magnetic order transition (ca. 37 K) has been used to determine unequivocally the magnetic structure of this Néel N-Type ferrimagnet, proving that the ferrimagnetic behavior is due to a noncompensation of the different Fe(II) and Fe(III) magnetic moments.

Reduced aliasing artifacts using shaking projection k-space sampling trajectory

NASA Astrophysics Data System (ADS)

Zhu, Yan-Chun; Du, Jiang; Yang, Wen-Chao; Duan, Chai-Jie; Wang, Hao-Yu; Gao, Song; Bao, Shang-Lian

2014-03-01

Radial imaging techniques, such as projection-reconstruction (PR), are used in magnetic resonance imaging (MRI) for dynamic imaging, angiography, and short-T2 imaging. They are less sensitive to flow and motion artifacts, and support fast imaging with short echo times. However, aliasing and streaking artifacts are two main sources which degrade radial imaging quality. For a given fixed number of k-space projections, data distributions along radial and angular directions will influence the level of aliasing and streaking artifacts. Conventional radial k-space sampling trajectory introduces an aliasing artifact at the first principal ring of point spread function (PSF). In this paper, a shaking projection (SP) k-space sampling trajectory was proposed to reduce aliasing artifacts in MR images. SP sampling trajectory shifts the projection alternately along the k-space center, which separates k-space data in the azimuthal direction. Simulations based on conventional and SP sampling trajectories were compared with the same number projections. A significant reduction of aliasing artifacts was observed using the SP sampling trajectory. These two trajectories were also compared with different sampling frequencies. A SP trajectory has the same aliasing character when using half sampling frequency (or half data) for reconstruction. SNR comparisons with different white noise levels show that these two trajectories have the same SNR character. In conclusion, the SP trajectory can reduce the aliasing artifact without decreasing SNR and also provide a way for undersampling reconstruction. Furthermore, this method can be applied to three-dimensional (3D) hybrid or spherical radial k-space sampling for a more efficient reduction of aliasing artifacts.

How partial nitrification could improve reclaimed wastewater transport in long pipes.

PubMed

Delgado, S; Alvarez, M; Rodríguez-Gómez, L E; Elmaleh, S; Aguiar, E

2001-01-01

Reclaimed wastewater transport is studied in a concrete-lined cast iron pipe, where a nitrification-denitrification process occurs. The pipe is part of the Reuse System of Reclaimed Wastewater of South Tenerife (Spain), 0.6 m in diameter and 61 km long. In order to improve wastewater quality, at 10 km from the inlet there is injection of fresh water saturated in dissolved oxygen (DO), after which a fast nitrification process usually appears (less than two hours of space time). The amount of oxidized nitrogen compounds produced varies between 0.8 and 4.4 mg/l NOx(-)-N. When DO has disappeared, a denitrification process begins. The removal of nitrite is complete at the end of the pipe, whereas the nitrate does not disappear completely, leaving a concentration of about 0.4-0.5 mg/l. For a COD/NOx(-)-N ratio higher than 5, a first order nitrification rate in NOx(-)-N has resulted, with the constant k20 = 0.079 h-1, for a NOx(-)-N concentration range of 0.8-4.4 mg/l. Finally the following temperature dependency for the first order denitrification rate constant has been found: k = k20 x 1 x 15T-20. Although nitrogen could be used as nutrient in the agricultural reuse, its removal from reclaimed wastewater could be useful in order to diminish the chlorine needs for reclaimed wastewater disinfection.

Active Solution Space and Search on Job-shop Scheduling Problem

NASA Astrophysics Data System (ADS)

Watanabe, Masato; Ida, Kenichi; Gen, Mitsuo

In this paper we propose a new searching method of Genetic Algorithm for Job-shop scheduling problem (JSP). The coding method that represent job number in order to decide a priority to arrange a job to Gannt Chart (called the ordinal representation with a priority) in JSP, an active schedule is created by using left shift. We define an active solution at first. It is solution which can create an active schedule without using left shift, and set of its defined an active solution space. Next, we propose an algorithm named Genetic Algorithm with active solution space search (GA-asol) which can create an active solution while solution is evaluated, in order to search the active solution space effectively. We applied it for some benchmark problems to compare with other method. The experimental results show good performance.

The origin of spurious solutions in computational electromagnetics

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Wu, Jie; Povinelli, L. A.

1995-01-01

The origin of spurious solutions in computational electromagnetics, which violate the divergence equations, is deeply rooted in a misconception about the first-order Maxwell's equations and in an incorrect derivation and use of the curl-curl equations. The divergence equations must be always included in the first-order Maxwell's equations to maintain the ellipticity of the system in the space domain and to guarantee the uniqueness of the solution and/or the accuracy of the numerical solutions. The div-curl method and the least-squares method provide rigorous derivation of the equivalent second-order Maxwell's equations and their boundary conditions. The node-based least-squares finite element method (LSFEM) is recommended for solving the first-order full Maxwell equations directly. Examples of the numerical solutions by LSFEM for time-harmonic problems are given to demonstrate that the LSFEM is free of spurious solutions.

Brownmillerite Ca 2 Co 2 O 5 : Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions

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

Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.

2014-11-20

We synthesized Ca 2Co 2O 5 in the brownmillerite form using a high-pressure optical-image floating zone furnace, and single crystals with dimensions up to 1.4×0.8×0.5 mm 3 were obtained. At room temperature, Ca 2Co 2O 5 crystallizes as a fully ordered brownmillerite variant in the orthorhombic space group Pcmb (No. 57) with unit cell parameters a=5.28960(10) Å, b=14.9240(2) Å, and c=10.9547(2) Å. Furthermore, with decreasing temperature, it undergoes re-entrant sequence of first-order structural phase transitions (Pcmb→ P2/c11→ P121/m1→ Pcmb) that is unprecedented among brownmillerites, broadening the family of space groups available to these materials and challenging current approaches for sortingmore » the myriad variants of brownmillerite structures. Magnetic susceptibility data indicate antiferromagnetic ordering in Ca 2Co 2O 5 occurs near 240 K, corroborated by neutron powder diffraction. Below 140 K, Ca 2Co 2O 5 shows a weak ferromagnetic component directed primarily along the b axis, and it also exhibits thermal and magnetic history dependence in magnetization.« less

Comparison of Spatiotemporal Mapping Techniques for Enormous Etl and Exploitation Patterns

NASA Astrophysics Data System (ADS)

Deiotte, R.; La Valley, R.

2017-10-01

The need to extract, transform, and exploit enormous volumes of spatiotemporal data has exploded with the rise of social media, advanced military sensors, wearables, automotive tracking, etc. However, current methods of spatiotemporal encoding and exploitation simultaneously limit the use of that information and increase computing complexity. Current spatiotemporal encoding methods from Niemeyer and Usher rely on a Z-order space filling curve, a relative of Peano's 1890 space filling curve, for spatial hashing and interleaving temporal hashes to generate a spatiotemporal encoding. However, there exist other space-filling curves, and that provide different manifold coverings that could promote better hashing techniques for spatial data and have the potential to map spatiotemporal data without interleaving. The concatenation of Niemeyer's and Usher's techniques provide a highly efficient space-time index. However, other methods have advantages and disadvantages regarding computational cost, efficiency, and utility. This paper explores the several methods using a range of sizes of data sets from 1K to 10M observations and provides a comparison of the methods.

RRh2Al10 (R = Ce, Yb): New intermetallic compounds in the 1 : 2 : 10 stoichiometry series

NASA Astrophysics Data System (ADS)

Strydom, A. M.; Djoumessi, R. F.; Blinova, M.; Tursina, A.; Nesterenko, S.; Avzuragova, V.

2018-05-01

The orthorhombic, space group Cmcm YbFe2Al10 structure type series of compounds are known to form with practically the entire series of rare-earth elements R, but only with the three d - electron elements Fe, Ru, and Os. The Ce-derivatives in particular have been of much interest since the first reports of their highly unusual physical properties. Classified as Kondo insulators, CeRu2Al10 and CeOs2Al10 controversially order magnetically and with uncharacteristically high Néel temperatures of ≃ 28 K. CeFe2Al10 on the other hand shows pronounced semiconducting and Kondo features but remains paramagnetic. As part of our ongoing studies into the rich physics of this class of materials we have succeeded in synthesizing new members of the 1:2:10 stoichiometry involving the chemical element Rh for the first time. CeRh2Al10 is found to crystallize in the tetragonal system with space group I41 / amd . Yb Rh2Al10 on the other hand forms in the serial Cmcm orthorhombic structure type. We discuss important similarities between the two types. At 5.310 Å the shortest Ce-Ce distance is, likewise to the situation in CeRu2Al10 and CeOs2Al10 , also well above the Hill limit of 3.40 Å. Despite the cage-like structure and large rare-earth separation distances, this study reveals the onset of long-range magnetic ordering in CeRh2Al10 at 3.9 K. The magnetic ordering develops out of an incoherent Kondo state that dominates the electrical resistivity below about 40 K.

First order coupled dynamic model of flexible space structures with time-varying configurations

NASA Astrophysics Data System (ADS)

Wang, Jie; Li, Dongxu; Jiang, Jianping

2017-03-01

This paper proposes a first order coupled dynamic modeling method for flexible space structures with time-varying configurations for the purpose of deriving the characteristics of the system. The model considers the first time derivative of the coordinate transformation matrix between the platform's body frame and the appendage's floating frame. As a result it can accurately predict characteristics of the system even if flexible appendages rotate with complex trajectory relative to the rigid part. In general, flexible appendages are fixed on the rigid platform or forced to rotate with a slow angular velocity. So only the zero order of the transformation matrix is considered in conventional models. However, due to neglecting of time-varying terms of the transformation matrix, these models introduce severe error when appendages, like antennas, for example, rotate with a fast speed relative to the platform. The first order coupled dynamic model for flexible space structures proposed in this paper resolve this problem by introducing the first time derivative of the transformation matrix. As a numerical example, a central core with a rotating solar panel is considered and the results are compared with those given by the conventional model. It has been shown that the first order terms are of great importance on the attitude of the rigid body and dynamic response of the flexible appendage.

Space/lunar solar power systems research and needs (1999)

NASA Astrophysics Data System (ADS)

Criswell, David R.; Waldron, Robert D.

1999-01-01

Average per capita incomes of people in the Developed and Developing Nations have been diverging since the 1800s. The divergence increased after World War II. Now the per capita cost of commercial energy in the Developing Nations is a large fraction of the per capita income within the Developing Nations. Solar electric power could be provided to Earth from space or lunar installations. This new source power must be low in cost, <=1 ¢/kWe-h, in order to accelerate economic growth in the Developing Nations. Microwave beams appear to be the preferable method of delivering power to Earth. In order to provide low cost solar-electric power the projected cost of the microwave rectifier/antennas, termed rectennas, must be reduced. A reflector-rectenna is proposed to concentrate microwaves before they are converted by compact sets of antenna/rectifiers to electric power. Rectenna costs may be reduced by a factor of 5 and energy costs to the order of 1 ¢/kWe-h or less. The primary disadvantages of the concentrators are an ~10% loss in efficiency and re-emission of non-captured microwave energy.

Comparing fixed sampling with minimizer sampling when using k-mer indexes to find maximal exact matches.

PubMed

Almutairy, Meznah; Torng, Eric

2018-01-01

Bioinformatics applications and pipelines increasingly use k-mer indexes to search for similar sequences. The major problem with k-mer indexes is that they require lots of memory. Sampling is often used to reduce index size and query time. Most applications use one of two major types of sampling: fixed sampling and minimizer sampling. It is well known that fixed sampling will produce a smaller index, typically by roughly a factor of two, whereas it is generally assumed that minimizer sampling will produce faster query times since query k-mers can also be sampled. However, no direct comparison of fixed and minimizer sampling has been performed to verify these assumptions. We systematically compare fixed and minimizer sampling using the human genome as our database. We use the resulting k-mer indexes for fixed sampling and minimizer sampling to find all maximal exact matches between our database, the human genome, and three separate query sets, the mouse genome, the chimp genome, and an NGS data set. We reach the following conclusions. First, using larger k-mers reduces query time for both fixed sampling and minimizer sampling at a cost of requiring more space. If we use the same k-mer size for both methods, fixed sampling requires typically half as much space whereas minimizer sampling processes queries only slightly faster. If we are allowed to use any k-mer size for each method, then we can choose a k-mer size such that fixed sampling both uses less space and processes queries faster than minimizer sampling. The reason is that although minimizer sampling is able to sample query k-mers, the number of shared k-mer occurrences that must be processed is much larger for minimizer sampling than fixed sampling. In conclusion, we argue that for any application where each shared k-mer occurrence must be processed, fixed sampling is the right sampling method.

Comparing fixed sampling with minimizer sampling when using k-mer indexes to find maximal exact matches

PubMed Central

Torng, Eric

2018-01-01

Bioinformatics applications and pipelines increasingly use k-mer indexes to search for similar sequences. The major problem with k-mer indexes is that they require lots of memory. Sampling is often used to reduce index size and query time. Most applications use one of two major types of sampling: fixed sampling and minimizer sampling. It is well known that fixed sampling will produce a smaller index, typically by roughly a factor of two, whereas it is generally assumed that minimizer sampling will produce faster query times since query k-mers can also be sampled. However, no direct comparison of fixed and minimizer sampling has been performed to verify these assumptions. We systematically compare fixed and minimizer sampling using the human genome as our database. We use the resulting k-mer indexes for fixed sampling and minimizer sampling to find all maximal exact matches between our database, the human genome, and three separate query sets, the mouse genome, the chimp genome, and an NGS data set. We reach the following conclusions. First, using larger k-mers reduces query time for both fixed sampling and minimizer sampling at a cost of requiring more space. If we use the same k-mer size for both methods, fixed sampling requires typically half as much space whereas minimizer sampling processes queries only slightly faster. If we are allowed to use any k-mer size for each method, then we can choose a k-mer size such that fixed sampling both uses less space and processes queries faster than minimizer sampling. The reason is that although minimizer sampling is able to sample query k-mers, the number of shared k-mer occurrences that must be processed is much larger for minimizer sampling than fixed sampling. In conclusion, we argue that for any application where each shared k-mer occurrence must be processed, fixed sampling is the right sampling method. PMID:29389989

Assessment of nuclear reactor concepts for low power space applications

NASA Technical Reports Server (NTRS)

Klein, Andrew C.; Gedeon, Stephen R.; Morey, Dennis C.

1988-01-01

The results of a preliminary small reactor concepts feasibility and safety evaluation designed to provide a first order validation of the nuclear feasibility and safety of six small reactor concepts are given. These small reactor concepts have potential space applications for missions in the 1 to 20 kWe power output range. It was concluded that low power concepts are available from the U.S. nuclear industry that have the potential for meeting both the operational and launch safety space mission requirements. However, each design has its uncertainties, and further work is required. The reactor concepts must be mated to a power conversion technology that can offer safe and reliable operation.

FAST TRACK COMMUNICATION: Superintegrability of the Tremblay-Turbiner-Winternitz quantum Hamiltonians on a plane for odd k

NASA Astrophysics Data System (ADS)

Quesne, C.

2010-02-01

In a recent communication paper by Tremblay et al (2009 J. Phys. A: Math. Theor. 42 205206), it has been conjectured that for any integer value of k, some novel exactly solvable and integrable quantum Hamiltonian Hk on a plane is superintegrable and that the additional integral of motion is a 2kth-order differential operator Y2k. Here we demonstrate the conjecture for the infinite family of Hamiltonians Hk with odd k >= 3, whose first member corresponds to the three-body Calogero-Marchioro-Wolfes model after elimination of the centre-of-mass motion. Our approach is based on the construction of some D2k-extended and invariant Hamiltonian {\\cal H}_k, which can be interpreted as a modified boson oscillator Hamiltonian. The latter is then shown to possess a D2k-invariant integral of motion {\\cal Y}_{2k}, from which Y2k can be obtained by projection in the D2k identity representation space.

The method for measuring the groove density of variable-line-space gratings with elimination of the eccentricity effect

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

Wang, Qingbo; Liu, Zhengkun, E-mail: zhkliu@ustc.edu.cn; Chen, Huoyao

2015-02-15

To eliminate the eccentricity effect, a new method for measuring the groove density of a variable-line-space grating was adapted. Based on grating equation, groove density is calculated by measuring the internal angles between zeroth-order and first-order diffracted light for two different wavelengths with the same angle of incidence. The measurement system mainly includes two laser sources, a phase plate, plane mirror, and charge coupled device. The measurement results of a variable-line-space grating demonstrate that the experiment data agree well with theoretical values, and the value of measurement error (ΔN/N) is less than 2.72 × 10{sup −4}.

Octahedral deformations and cationic displacements in the ferroelectric PbHf(0.8)Ti(0.2)O(3): a neutron powder diffraction study from 10 to 770 K

PubMed

Muller; Baudour; Bedoya; Bouree; Soubeyroux; Roubin

2000-02-01

Neutron powder diffraction data, collected over the temperature range 10-770 K, have been analysed in order to make a detailed characterization of the sequence of phase transitions occurring in the Hf-rich ferroelectric PbHf(0.8)Ti(0.2)O3, titanium hafnium lead oxide. Over the whole temperature range this compound undergoes two phase transitions, which involve cationic displacements and octahedral deformations (tilt and/or distortion) leading to strongly distorted perovskite-type structures. The first transition appears around 415 K between two ferroelectric rhombohedral phases: a low-temperature nonzero-tilt phase F(RL) (space group R3c) and an intermediate zero-tilt phase FRH (space group R3m). The second one, detected around 520 K, is associated with a ferroelectric to-paraelectric transition between the FRH phase and the Pc cubic phase (space group Pm3m). From high-resolution neutron powder diffraction data (diffractometer 3T2-LLB, Saclay, France, lambda = 1.2251 A), the crystallographic structure of the three successive phases has been accurately determined at the following temperatures: T = 10 K (FRL): space group R3c, Z = 6, a(hex) = 5.7827 (1), c(hex) = 14.2702 (4) A, V(hex) = 413.26 (2) A3; T = 150 K (F(RL)): space group R3c, Z = 6, a(hex) = 5.7871 (1), C(hex) = 14.2735 (4) A, V(hex) = 413.98 (3) A3; T = 290 K (FRL): space group R3c, Z = 6, a(hex) = 5.7943 (1), C(hex) = 14.2742 (5) A, V(hex) = 415.04 (3) A3; T = 440 K (F(RH)): space group R3c, Z = 6, a(hex) = 5.8025 (1), c(hex) = 14.2648 (4) A, V(hex) = 415.94 (3) A3; T = 520 K (Pc): space group Pm3m, Z = 1, a(cub) = 4.1072 (2) A, V(cub) = 69.29 (1) A3. In addition, a neutron powder thermodiffractometry experiment, performed between 290 and 770 K (diffractometer D1B-ILL, Grenoble, France, lambda = 2.533 A), has been used to study in situ the temperature-induced phase transitions. From sequential Rietveld refinements, the temperature dependence of the cation displacements and the rotation and/or distortion of oxygen octahedra was derived.

First principles statistical mechanics of alloys and magnetism

NASA Astrophysics Data System (ADS)

Eisenbach, Markus; Khan, Suffian N.; Li, Ying Wai

Modern high performance computing resources are enabling the exploration of the statistical physics of phase spaces with increasing size and higher fidelity of the Hamiltonian of the systems. For selected systems, this now allows the combination of Density Functional based first principles calculations with classical Monte Carlo methods for parameter free, predictive thermodynamics of materials. We combine our locally selfconsistent real space multiple scattering method for solving the Kohn-Sham equation with Wang-Landau Monte-Carlo calculations (WL-LSMS). In the past we have applied this method to the calculation of Curie temperatures in magnetic materials. Here we will present direct calculations of the chemical order - disorder transitions in alloys. We present our calculated transition temperature for the chemical ordering in CuZn and the temperature dependence of the short-range order parameter and specific heat. Finally we will present the extension of the WL-LSMS method to magnetic alloys, thus allowing the investigation of the interplay of magnetism, structure and chemical order in ferrous alloys. This research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division and it used Oak Ridge Leadership Computing Facility resources at Oak Ridge National Laboratory.

Testing of a First Order AC Magnetic Susceptometer

NASA Astrophysics Data System (ADS)

Fukuda, Ryan; Sunny, Smitha; Ho, Pei-Chun

2011-11-01

A first-order AC magnetic susceptometer has been constructed and tested to find the magnetic response of strongly correlated electron materials. The instrument works by using a primary coil to apply a small AC magnetic field of .104 Oe to a sample with a cylindrical coil space of length .635 cm and diameter .355 cm. A lock-in amplifier is used to monitor the induced voltage from a set of secondary coils. By coupling a temperature-controlled system with this instrument, the change in the magnetic signal with respect to temperature is measured. Monitoring the signal changes may indicate the temperature that causes the material to transition to either a ferromagnetic, anti-ferromagnetic, or superconducting state. A 122.47 mg Gd polycrystal was used to test our susceptometer. The data qualitatively agrees with the previous results of magnetization vs. temperature of Gd single crystals by Nigh et al. [1]: there is a steep increase in the pick-up signal at 300 K where Gd becomes ferromagnetic and a peak at 210 K [1]. This susceptometer will be used for our future investigation of magnetic properties of rare earth compounds and nanoparticles in the temperature range of 10 K to 300 K. [4pt] [1] H. E. Nigh, S. Legvold, and F. H. Spedding, Physical Review 132, 1092 (1963)

Space sickness predictors suggest fluid shift involvement and possible countermeasures

NASA Technical Reports Server (NTRS)

Simanonok, K. E.; Moseley, E. C.; Charles, J. B.

1992-01-01

Preflight data from 64 first time Shuttle crew members were examined retrospectively to predict space sickness severity (NONE, MILD, MODERATE, or SEVERE) by discriminant analysis. From 9 input variables relating to fluid, electrolyte, and cardiovascular status, 8 variables were chosen by discriminant analysis that correctly predicted space sickness severity with 59 pct. success by one method of cross validation on the original sample and 67 pct. by another method. The 8 variables in order of their importance for predicting space sickness severity are sitting systolic blood pressure, serum uric acid, calculated blood volume, serum phosphate, urine osmolality, environmental temperature at the launch site, red cell count, and serum chloride. These results suggest the presence of predisposing physiologic factors to space sickness that implicate a fluid shift etiology. Addition of a 10th input variable, hours spent in the Weightless Environment Training Facility (WETF), improved the prediction of space sickness severity to 66 pct. success by the first method of cross validation on the original sample and to 71 pct. by the second method. The data suggest that WETF training may reduce space sickness severity.

Vibroacoustics of the piano soundboard: (Non)linearity and modal properties in the low- and mid-frequency ranges

NASA Astrophysics Data System (ADS)

Ege, Kerem; Boutillon, Xavier; Rébillat, Marc

2013-03-01

The piano soundboard transforms the string vibration into sound and therefore, its vibrations are of primary importance for the sound characteristics of the instrument. An original vibro-acoustical method is presented to isolate the soundboard nonlinearity from that of the exciting device (here: a loudspeaker) and to measure it. The nonlinear part of the soundboard response to an external excitation is quantitatively estimated for the first time, at ≈-40 dB below the linear part at the ff nuance. Given this essentially linear response, a modal identification is performed up to 3 kHz by means of a novel high resolution modal analysis technique [K. Ege, X. Boutillon, B. David, High-resolution modal analysis, Journal of Sound and Vibration 325 (4-5) (2009) 852-869]. Modal dampings (which, so far, were unknown for the piano in this frequency range) are determined in the mid-frequency domain where FFT-based methods fail to evaluate them with an acceptable precision. They turn out to be close to those imposed by wood. A finite-element modelling of the soundboard is also presented. The low-order modal shapes and the comparison between the corresponding experimental and numerical modal frequencies suggest that the boundary conditions can be considered as blocked, except at very low frequencies. The frequency-dependency of the estimated modal densities and the observation of modal shapes reveal two well-separated regimes. Below ≈1 kHz, the soundboard vibrates more or less like a homogeneous plate. Above that limit, the structural waves are confined by ribs, as already noticed by several authors, and localised in restricted areas (one or a few inter-rib spaces), presumably due to a slightly irregular spacing of the ribs across the soundboard.

Segmentation method of eye region based on fuzzy logic system for classifying open and closed eyes

NASA Astrophysics Data System (ADS)

Kim, Ki Wan; Lee, Won Oh; Kim, Yeong Gon; Hong, Hyung Gil; Lee, Eui Chul; Park, Kang Ryoung

2015-03-01

The classification of eye openness and closure has been researched in various fields, e.g., driver drowsiness detection, physiological status analysis, and eye fatigue measurement. For a classification with high accuracy, accurate segmentation of the eye region is required. Most previous research used the segmentation method by image binarization on the basis that the eyeball is darker than skin, but the performance of this approach is frequently affected by thick eyelashes or shadows around the eye. Thus, we propose a fuzzy-based method for classifying eye openness and closure. First, the proposed method uses I and K color information from the HSI and CMYK color spaces, respectively, for eye segmentation. Second, the eye region is binarized using the fuzzy logic system based on I and K inputs, which is less affected by eyelashes and shadows around the eye. The combined image of I and K pixels is obtained through the fuzzy logic system. Third, in order to reflect the effect by all the inference values on calculating the output score of the fuzzy system, we use the revised weighted average method, where all the rectangular regions by all the inference values are considered for calculating the output score. Fourth, the classification of eye openness or closure is successfully made by the proposed fuzzy-based method with eye images of low resolution which are captured in the environment of people watching TV at a distance. By using the fuzzy logic system, our method does not require the additional procedure of training irrespective of the chosen database. Experimental results with two databases of eye images show that our method is superior to previous approaches.

Nonlinear Optical Response of Polar Semiconductors in the Terahertz Range

NASA Astrophysics Data System (ADS)

Roman, Eric; Yates, Jonathan; Veithen, Marek; Vanderbilt, David; Souza, Ivo

2006-03-01

Using the Berry-phase finite-field method, we compute from first-principles the recently measured infrared (IR) dispersion of the nonlinear susceptibility (2)circ in III-V zincblende semiconductors. At far-IR (terahertz) frequencies, in addition to the purely electronic response (2)circ∞, the total (2)circ depends on three other parameters, C1, C2, and C3, describing the contributions from ionic motion. They relate to the TO Raman polarizability and the second-order displacement-induced dielectric polarization and forces, respectively. Contrary to a widely-accepted model, but in agreement with the recent experiments on GaAs, ^1 we find that the contribution from mechanical anharmonicity dominates over electrical anharmonicity. By using Richardson extrapolation to evaluate the Berry's phase in k-space by finite differences, we are able to improve the convergence of the nonlinear susceptibility from the usual O[(δk)^2] to O[(δk)^4], dramatically reducing the computational cost. T. Dekorsy, V. A. Yakovlev, W. Seidel, M. Helm, and F. Keilmann, Phys. Rev. Lett. 90, 055508 (2003). C. Flytzanis, Phys. Rev. B 6, 1264 (1972). R. Umari and A. Pasquarello, Phys. Rev. B 68, 085114 (2003).

Homopolyrotaxanes and Homopolyrotaxane Networks of PEO

NASA Technical Reports Server (NTRS)

Pugh, Coleen; Mattice, Wayne

2005-01-01

In order to identify the optimum size of macrocrown ether for threading, we first investigated the size and shape of simple crown ethers in the melt at 373 K, and their extent of threading with PEO in the melt using coarse-grained Monte Carlo simulations on the 2nnd (second nearest neighbor diamond) lattice, which is a high coordination lattice whose coarse-grained chains can be reverse mapped into fully atomistic models in continuous space.

Calculation of Moment Matrix Elements for Bilinear Quadrilaterals and Higher-Order Basis Functions

DTIC Science & Technology

2016-01-06

methods are known as boundary integral equation (BIE) methods and the present study falls into this category. The numerical solution of the BIE is...iterated integrals. The inner integral involves the product of the free-space Green’s function for the Helmholtz equation multiplied by an appropriate...Website: http://www.wipl-d.com/ 5. Y. Zhang and T. K. Sarkar, Parallel Solution of Integral Equation -Based EM Problems in the Frequency Domain. New

Adaptive h -refinement for reduced-order models: ADAPTIVE h -refinement for reduced-order models

DOE PAGES

Carlberg, Kevin T.

2014-11-05

Our work presents a method to adaptively refine reduced-order models a posteriori without requiring additional full-order-model solves. The technique is analogous to mesh-adaptive h-refinement: it enriches the reduced-basis space online by ‘splitting’ a given basis vector into several vectors with disjoint support. The splitting scheme is defined by a tree structure constructed offline via recursive k-means clustering of the state variables using snapshot data. This method identifies the vectors to split online using a dual-weighted-residual approach that aims to reduce error in an output quantity of interest. The resulting method generates a hierarchy of subspaces online without requiring large-scale operationsmore » or full-order-model solves. Furthermore, it enables the reduced-order model to satisfy any prescribed error tolerance regardless of its original fidelity, as a completely refined reduced-order model is mathematically equivalent to the original full-order model. Experiments on a parameterized inviscid Burgers equation highlight the ability of the method to capture phenomena (e.g., moving shocks) not contained in the span of the original reduced basis.« less

A 3-D turbulent flow analysis using finite elements with k-ɛ model

NASA Astrophysics Data System (ADS)

Okuda, H.; Yagawa, G.; Eguchi, Y.

1989-03-01

This paper describes the finite element turbulent flow analysis, which is suitable for three-dimensional large scale problems. The k-ɛ turbulence model as well as the conservation equations of mass and momentum are discretized in space using rather low order elements. Resulting coefficient matrices are evaluated by one-point quadrature in order to reduce the computational storage and the CPU cost. The time integration scheme based on the velocity correction method is employed to obtain steady state solutions. For the verification of this FEM program, two-dimensional plenum flow is simulated and compared with experiment. As the application to three-dimensional practical problems, the turbulent flows in the upper plenum of the fast breeder reactor are calculated for various boundary conditions.

An analytically iterative method for solving problems of cosmic-ray modulation

NASA Astrophysics Data System (ADS)

Kolesnyk, Yuriy L.; Bobik, Pavol; Shakhov, Boris A.; Putis, Marian

2017-09-01

The development of an analytically iterative method for solving steady-state as well as unsteady-state problems of cosmic-ray (CR) modulation is proposed. Iterations for obtaining the solutions are constructed for the spherically symmetric form of the CR propagation equation. The main solution of the considered problem consists of the zero-order solution that is obtained during the initial iteration and amendments that may be obtained by subsequent iterations. The finding of the zero-order solution is based on the CR isotropy during propagation in the space, whereas the anisotropy is taken into account when finding the next amendments. To begin with, the method is applied to solve the problem of CR modulation where the diffusion coefficient κ and the solar wind speed u are constants with an Local Interstellar Spectra (LIS) spectrum. The solution obtained with two iterations was compared with an analytical solution and with numerical solutions. Finally, solutions that have only one iteration for two problems of CR modulation with u = constant and the same form of LIS spectrum were obtained and tested against numerical solutions. For the first problem, κ is proportional to the momentum of the particle p, so it has the form κ = k0η, where η =p/m_0c. For the second problem, the diffusion coefficient is given in the form κ = k0βη, where β =v/c is the particle speed relative to the speed of light. There was a good matching of the obtained solutions with the numerical solutions as well as with the analytical solution for the problem where κ = constant.

Image steganography based on 2k correction and coherent bit length

NASA Astrophysics Data System (ADS)

Sun, Shuliang; Guo, Yongning

2014-10-01

In this paper, a novel algorithm is proposed. Firstly, the edge of cover image is detected with Canny operator and secret data is embedded in edge pixels. Sorting method is used to randomize the edge pixels in order to enhance security. Coherent bit length L is determined by relevant edge pixels. Finally, the method of 2k correction is applied to achieve better imperceptibility in stego image. The experiment shows that the proposed method is better than LSB-3 and Jae-Gil Yu's in PSNR and capacity.

Scaled nonuniform Fourier transform for image reconstruction in swept source optical coherence tomography

NASA Astrophysics Data System (ADS)

Mezgebo, Biniyam; Nagib, Karim; Fernando, Namal; Kordi, Behzad; Sherif, Sherif

2018-02-01

Swept Source optical coherence tomography (SS-OCT) is an important imaging modality for both medical and industrial diagnostic applications. A cross-sectional SS-OCT image is obtained by applying an inverse discrete Fourier transform (DFT) to axial interferograms measured in the frequency domain (k-space). This inverse DFT is typically implemented as a fast Fourier transform (FFT) that requires the data samples to be equidistant in k-space. As the frequency of light produced by a typical wavelength-swept laser is nonlinear in time, the recorded interferogram samples will not be uniformly spaced in k-space. Many image reconstruction methods have been proposed to overcome this problem. Most such methods rely on oversampling the measured interferogram then use either hardware, e.g., Mach-Zhender interferometer as a frequency clock module, or software, e.g., interpolation in k-space, to obtain equally spaced samples that are suitable for the FFT. To overcome the problem of nonuniform sampling in k-space without any need for interferogram oversampling, an earlier method demonstrated the use of the nonuniform discrete Fourier transform (NDFT) for image reconstruction in SS-OCT. In this paper, we present a more accurate method for SS-OCT image reconstruction from nonuniform samples in k-space using a scaled nonuniform Fourier transform. The result is demonstrated using SS-OCT images of Axolotl salamander eggs.

Thermoluminescence kinetic features of Lithium Iodide (LiI) single crystal grown by vertical Bridgman technique

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Kim, H. J.; Kim, Sunghwan; Khan, Sajid

2017-08-01

Single crystal of pure Lithium Iodide (LiI) has been grown from melt by using the vertical Bridgman technique. Thermoluminescence (TL) Measurements were carried out at 1 K/s following X-ray irradiation. The TL glow curve consists of a dominant peak at (peak-maximum Tm) 393 K and one low temperature peak of weaker intensity at 343 K. The order of kinetics (b), activation energy (E), and the frequency factor (S) for a prominent TL glow peak observed around 393 K for LiI crystals are reported for the first time. The peak shape analysis of the glow peak indicates the kinetics to be of the first order. The value of E is calculated using various standard methods such as initial rise (IR), whole glow peak (WGP), peak shape (PS), computerized glow curve deconvolution (CGCD) and Variable Heating rate (VHR) methods. An average value of 1.06 eV is obtained in this case. In order to validate the obtained parameters, numerically integrated TL glow curve has been generated using experimentally determined kinetic parameters. The effective atomic number (Zeff) for this material was determined and found to be 52. X-ray induced emission spectra of pure LiI single crystal are studied at room temperature and it is found that the sample exhibit sharp emission at 457 nm and broad emission at 650 nm.

Electric propulsion options for 10 kW class earth space missions

NASA Technical Reports Server (NTRS)

Patterson, M. J.; Curran, Francis M.

1989-01-01

Five and 10 kW ion and arcjet propulsion system options for a near-term space demonstration experiment have been evaluated. Analyses were conducted to determine first-order propulsion system performance and system component mass estimates. Overall mission performance of the electric propulsion systems was quantified in terms of the maximum thrusting time, total impulse, and velocity increment capability available when integrated onto a generic spacecraft under fixed mission model assumptions. Maximum available thrusting times for the ion-propelled spacecraft options, launched on a DELTA II 6920 vehicle, range from approximately 8,600 hours for a 4-engine 10 kW system to more than 29,600 hours for a single-engine 5 kW system. Maximum total impulse values and maximum delta-v's range from 1.2x10(7) to 2.1x10(7) N-s, and 3550 to 6200 m/s, respectively. Maximum available thrusting times for the arcjet propelled spacecraft launched on the DELTA II 6920 vehicle range from approximately 528 hours for the 6-engine 10 kW hydrazine system to 2328 hours for the single-engine 5 kW system. Maximum total impulse values and maximum delta-v's range from 2.2x10(6) to 3.6x10(6) N-s, and approximately 662 to 1072 m/s, respectively.

A measurement of the CP asymmetry difference between Λ c + → pK - K + and pπ-π+ decays

NASA Astrophysics Data System (ADS)

Aaij, R.; Adeva, B.; Adinolfi, M.; Ajaltouni, Z.; Akar, S.; Albrecht, J.; Alessio, F.; Alexander, M.; Alfonso Albero, A.; Ali, S.; Alkhazov, G.; Alvarez Cartelle, P.; Alves, A. A.; Amato, S.; Amerio, S.; Amhis, Y.; An, L.; Anderlini, L.; Andreassi, G.; Andreotti, M.; Andrews, J. E.; Appleby, R. B.; Archilli, F.; d'Argent, P.; Arnau Romeu, J.; Artamonov, A.; Artuso, M.; Aslanides, E.; Atzeni, M.; Auriemma, G.; Baalouch, M.; Babuschkin, I.; Bachmann, S.; Back, J. J.; Badalov, A.; Baesso, C.; Baker, S.; Balagura, V.; Baldini, W.; Baranov, A.; Barlow, R. J.; Barschel, C.; Barsuk, S.; Barter, W.; Baryshnikov, F.; Batozskaya, V.; Battista, V.; Bay, A.; Beaucourt, L.; Beddow, J.; Bedeschi, F.; Bediaga, I.; Beiter, A.; Bel, L. J.; Beliy, N.; Bellee, V.; Belloli, N.; Belous, K.; Belyaev, I.; Ben-Haim, E.; Bencivenni, G.; Benson, S.; Beranek, S.; Berezhnoy, A.; Bernet, R.; Berninghoff, D.; Bertholet, E.; Bertolin, A.; Betancourt, C.; Betti, F.; Bettler, M. O.; van Beuzekom, M.; Bezshyiko, Ia.; Bifani, S.; Billoir, P.; Birnkraut, A.; Bizzeti, A.; Bjørn, M.; Blake, T.; Blanc, F.; Blusk, S.; Bocci, V.; Boettcher, T.; Bondar, A.; Bondar, N.; Bordyuzhin, I.; Borghi, S.; Borisyak, M.; Borsato, M.; Bossu, F.; Boubdir, M.; Bowcock, T. J. V.; Bowen, E.; Bozzi, C.; Braun, S.; Brodzicka, J.; Brundu, D.; Buchanan, E.; Burr, C.; Bursche, A.; Buytaert, J.; Byczynski, W.; Cadeddu, S.; Cai, H.; Calabrese, R.; Calladine, R.; Calvi, M.; Calvo Gomez, M.; Camboni, A.; Campana, P.; Campora Perez, D. H.; Capriotti, L.; Carbone, A.; Carboni, G.; Cardinale, R.; Cardini, A.; Carniti, P.; Carson, L.; Carvalho Akiba, K.; Casse, G.; Cassina, L.; Cattaneo, M.; Cavallero, G.; Cenci, R.; Chamont, D.; Chapman, M. G.; Charles, M.; Charpentier, Ph.; Chatzikonstantinidis, G.; Chefdeville, M.; Chen, S.; Cheung, S. F.; Chitic, S.-G.; Chobanova, V.; Chrzaszcz, M.; Chubykin, A.; Ciambrone, P.; Cid Vidal, X.; Ciezarek, G.; Clarke, P. E. L.; Clemencic, M.; Cliff, H. V.; Closier, J.; Coco, V.; Cogan, J.; Cogneras, E.; Cogoni, V.; Cojocariu, L.; Collins, P.; Colombo, T.; Comerma-Montells, A.; Contu, A.; Coombs, G.; Coquereau, S.; Corti, G.; Corvo, M.; Costa Sobral, C. M.; Couturier, B.; Cowan, G. A.; Craik, D. C.; Crocombe, A.; Cruz Torres, M.; Currie, R.; D'Ambrosio, C.; Da Cunha Marinho, F.; Da Silva, C. L.; Dall'Occo, E.; Dalseno, J.; Davis, A.; De Aguiar Francisco, O.; De Bruyn, K.; De Capua, S.; De Cian, M.; De Miranda, J. M.; De Paula, L.; De Serio, M.; De Simone, P.; Dean, C. T.; Decamp, D.; Del Buono, L.; Dembinski, H.-P.; Demmer, M.; Dendek, A.; Derkach, D.; Deschamps, O.; Dettori, F.; Dey, B.; Di Canto, A.; Di Nezza, P.; Dijkstra, H.; Dordei, F.; Dorigo, M.; Dosil Suárez, A.; Douglas, L.; Dovbnya, A.; Dreimanis, K.; Dufour, L.; Dujany, G.; Durante, P.; Durham, J. M.; Dutta, D.; Dzhelyadin, R.; Dziewiecki, M.; Dziurda, A.; Dzyuba, A.; Easo, S.; Ebert, M.; Egede, U.; Egorychev, V.; Eidelman, S.; Eisenhardt, S.; Eitschberger, U.; Ekelhof, R.; Eklund, L.; Ely, S.; Esen, S.; Evans, H. M.; Evans, T.; Falabella, A.; Farley, N.; Farry, S.; Fazzini, D.; Federici, L.; Ferguson, D.; Fernandez, G.; Fernandez Declara, P.; Fernandez Prieto, A.; Ferrari, F.; Ferreira Lopes, L.; Ferreira Rodrigues, F.; Ferro-Luzzi, M.; Filippov, S.; Fini, R. A.; Fiorini, M.; Firlej, M.; Fitzpatrick, C.; Fiutowski, T.; Fleuret, F.; Fontana, M.; Fontanelli, F.; Forty, R.; Franco Lima, V.; Frank, M.; Frei, C.; Fu, J.; Funk, W.; Furfaro, E.; Färber, C.; Gabriel, E.; Gallas Torreira, A.; Galli, D.; Gallorini, S.; Gambetta, S.; Gandelman, M.; Gandini, P.; Gao, Y.; Garcia Martin, L. M.; García Pardiñas, J.; Garra Tico, J.; Garrido, L.; Gascon, D.; Gaspar, C.; Gavardi, L.; Gazzoni, G.; Gerick, D.; Gersabeck, E.; Gersabeck, M.; Gershon, T.; Ghez, Ph.; Gianì, S.; Gibson, V.; Girard, O. G.; Giubega, L.; Gizdov, K.; Gligorov, V. V.; Golubkov, D.; Golutvin, A.; Gomes, A.; Gorelov, I. V.; Gotti, C.; Govorkova, E.; Grabowski, J. P.; Graciani Diaz, R.; Granado Cardoso, L. A.; Graugés, E.; Graverini, E.; Graziani, G.; Grecu, A.; Greim, R.; Griffith, P.; Grillo, L.; Gruber, L.; Gruberg Cazon, B. R.; Grünberg, O.; Gushchin, E.; Guz, Yu.; Gys, T.; Göbel, C.; Hadavizadeh, T.; Hadjivasiliou, C.; Haefeli, G.; Haen, C.; Haines, S. C.; Hamilton, B.; Han, X.; Hancock, T. H.; Hansmann-Menzemer, S.; Harnew, N.; Harnew, S. T.; Hasse, C.; Hatch, M.; He, J.; Hecker, M.; Heinicke, K.; Heister, A.; Hennessy, K.; Henrard, P.; Henry, L.; van Herwijnen, E.; Heß, M.; Hicheur, A.; Hill, D.; Hopchev, P. H.; Hu, W.; Huang, W.; Huard, Z. C.; Hulsbergen, W.; Humair, T.; Hushchyn, M.; Hutchcroft, D.; Ibis, P.; Idzik, M.; Ilten, P.; Jacobsson, R.; Jalocha, J.; Jans, E.; Jawahery, A.; Jiang, F.; John, M.; Johnson, D.; Jones, C. R.; Joram, C.; Jost, B.; Jurik, N.; Kandybei, S.; Karacson, M.; Kariuki, J. M.; Karodia, S.; Kazeev, N.; Kecke, M.; Keizer, F.; Kelsey, M.; Kenzie, M.; Ketel, T.; Khairullin, E.; Khanji, B.; Khurewathanakul, C.; Kirn, T.; Klaver, S.; Klimaszewski, K.; Klimkovich, T.; Koliiev, S.; Kolpin, M.; Kopecna, R.; Koppenburg, P.; Kosmyntseva, A.; Kotriakhova, S.; Kozeiha, M.; Kravchuk, L.; Kreps, M.; Kress, F.; Krokovny, P.; Krzemien, W.; Kucewicz, W.; Kucharczyk, M.; Kudryavtsev, V.; Kuonen, A. K.; Kvaratskheliya, T.; Lacarrere, D.; Lafferty, G.; Lai, A.; Lanfranchi, G.; Langenbruch, C.; Latham, T.; Lazzeroni, C.; Le Gac, R.; Leflat, A.; Lefrançois, J.; Lefèvre, R.; Lemaitre, F.; Lemos Cid, E.; Leroy, O.; Lesiak, T.; Leverington, B.; Li, P.-R.; Li, T.; Li, Y.; Li, Z.; Liang, X.; Likhomanenko, T.; Lindner, R.; Lionetto, F.; Lisovskyi, V.; Liu, X.; Loh, D.; Loi, A.; Longstaff, I.; Lopes, J. H.; Lucchesi, D.; Lucio Martinez, M.; Luo, H.; Lupato, A.; Luppi, E.; Lupton, O.; Lusiani, A.; Lyu, X.; Machefert, F.; Maciuc, F.; Macko, V.; Mackowiak, P.; Maddrell-Mander, S.; Maev, O.; Maguire, K.; Maisuzenko, D.; Majewski, M. W.; Malde, S.; Malecki, B.; Malinin, A.; Maltsev, T.; Manca, G.; Mancinelli, G.; Marangotto, D.; Maratas, J.; Marchand, J. F.; Marconi, U.; Marin Benito, C.; Marinangeli, M.; Marino, P.; Marks, J.; Martellotti, G.; Martin, M.; Martinelli, M.; Martinez Santos, D.; Martinez Vidal, F.; Massafferri, A.; Matev, R.; Mathad, A.; Mathe, Z.; Matteuzzi, C.; Mauri, A.; Maurice, E.; Maurin, B.; Mazurov, A.; McCann, M.; McNab, A.; McNulty, R.; Mead, J. V.; Meadows, B.; Meaux, C.; Meier, F.; Meinert, N.; Melnychuk, D.; Merk, M.; Merli, A.; Michielin, E.; Milanes, D. A.; Millard, E.; Minard, M.-N.; Minzoni, L.; Mitzel, D. S.; Mogini, A.; Molina Rodriguez, J.; Mombächer, T.; Monroy, I. A.; Monteil, S.; Morandin, M.; Morello, M. J.; Morgunova, O.; Moron, J.; Morris, A. B.; Mountain, R.; Muheim, F.; Mulder, M.; Müller, D.; Müller, J.; Müller, K.; Müller, V.; Naik, P.; Nakada, T.; Nandakumar, R.; Nandi, A.; Nasteva, I.; Needham, M.; Neri, N.; Neubert, S.; Neufeld, N.; Neuner, M.; Nguyen, T. D.; Nguyen-Mau, C.; Nieswand, S.; Niet, R.; Nikitin, N.; Nikodem, T.; Nogay, A.; O'Hanlon, D. P.; Oblakowska-Mucha, A.; Obraztsov, V.; Ogilvy, S.; Oldeman, R.; Onderwater, C. J. G.; Ossowska, A.; Otalora Goicochea, J. M.; Owen, P.; Oyanguren, A.; Pais, P. R.; Palano, A.; Palutan, M.; Papanestis, A.; Pappagallo, M.; Pappalardo, L. L.; Parker, W.; Parkes, C.; Passaleva, G.; Pastore, A.; Patel, M.; Patrignani, C.; Pearce, A.; Pellegrino, A.; Penso, G.; Pepe Altarelli, M.; Perazzini, S.; Pereima, D.; Perret, P.; Pescatore, L.; Petridis, K.; Petrolini, A.; Petrov, A.; Petruzzo, M.; Picatoste Olloqui, E.; Pietrzyk, B.; Pietrzyk, G.; Pikies, M.; Pinci, D.; Pisani, F.; Pistone, A.; Piucci, A.; Placinta, V.; Playfer, S.; Plo Casasus, M.; Polci, F.; Poli Lener, M.; Poluektov, A.; Polyakov, I.; Polycarpo, E.; Pomery, G. J.; Ponce, S.; Popov, A.; Popov, D.; Poslavskii, S.; Potterat, C.; Price, E.; Prisciandaro, J.; Prouve, C.; Pugatch, V.; Puig Navarro, A.; Pullen, H.; Punzi, G.; Qian, W.; Qin, J.; Quagliani, R.; Quintana, B.; Rachwal, B.; Rademacker, J. H.; Rama, M.; Ramos Pernas, M.; Rangel, M. S.; Raniuk, I.; Ratnikov, F.; Raven, G.; Ravonel Salzgeber, M.; Reboud, M.; Redi, F.; Reichert, S.; dos Reis, A. C.; Remon Alepuz, C.; Renaudin, V.; Ricciardi, S.; Richards, S.; Rihl, M.; Rinnert, K.; Robbe, P.; Robert, A.; Rodrigues, A. B.; Rodrigues, E.; Rodriguez Lopez, J. A.; Rogozhnikov, A.; Roiser, S.; Rollings, A.; Romanovskiy, V.; Romero Vidal, A.; Rotondo, M.; Rudolph, M. S.; Ruf, T.; Ruiz Valls, P.; Ruiz Vidal, J.; Saborido Silva, J. J.; Sadykhov, E.; Sagidova, N.; Saitta, B.; Salustino Guimaraes, V.; Sanchez Mayordomo, C.; Sanmartin Sedes, B.; Santacesaria, R.; Santamarina Rios, C.; Santimaria, M.; Santovetti, E.; Sarpis, G.; Sarti, A.; Satriano, C.; Satta, A.; Saunders, D. M.; Savrina, D.; Schael, S.; Schellenberg, M.; Schiller, M.; Schindler, H.; Schmelling, M.; Schmelzer, T.; Schmidt, B.; Schneider, O.; Schopper, A.; Schreiner, H. F.; Schubiger, M.; Schune, M. H.; Schwemmer, R.; Sciascia, B.; Sciubba, A.; Semennikov, A.; Sepulveda, E. S.; Sergi, A.; Serra, N.; Serrano, J.; Sestini, L.; Seyfert, P.; Shapkin, M.; Shapoval, I.; Shcheglov, Y.; Shears, T.; Shekhtman, L.; Shevchenko, V.; Siddi, B. G.; Silva Coutinho, R.; Silva de Oliveira, L.; Simi, G.; Simone, S.; Sirendi, M.; Skidmore, N.; Skwarnicki, T.; Smith, I. T.; Smith, J.; Smith, M.; Soares Lavra, l.; Sokoloff, M. D.; Soler, F. J. P.; Souza De Paula, B.; Spaan, B.; Spradlin, P.; Sridharan, S.; Stagni, F.; Stahl, M.; Stahl, S.; Stefko, P.; Stefkova, S.; Steinkamp, O.; Stemmle, S.; Stenyakin, O.; Stepanova, M.; Stevens, H.; Stone, S.; Storaci, B.; Stracka, S.; Stramaglia, M. E.; Straticiuc, M.; Straumann, U.; Sun, J.; Sun, L.; Swientek, K.; Syropoulos, V.; Szumlak, T.; Szymanski, M.; T'Jampens, S.; Tayduganov, A.; Tekampe, T.; Tellarini, G.; Teubert, F.; Thomas, E.; van Tilburg, J.; Tilley, M. J.; Tisserand, V.; Tobin, M.; Tolk, S.; Tomassetti, L.; Tonelli, D.; Tourinho Jadallah Aoude, R.; Tournefier, E.; Traill, M.; Tran, M. T.; Tresch, M.; Trisovic, A.; Tsaregorodtsev, A.; Tsopelas, P.; Tully, A.; Tuning, N.; Ukleja, A.; Usachov, A.; Ustyuzhanin, A.; Uwer, U.; Vacca, C.; Vagner, A.; Vagnoni, V.; Valassi, A.; Valat, S.; Valenti, G.; Vazquez Gomez, R.; Vazquez Regueiro, P.; Vecchi, S.; van Veghel, M.; Velthuis, J. J.; Veltri, M.; Veneziano, G.; Venkateswaran, A.; Verlage, T. A.; Vernet, M.; Vesterinen, M.; Viana Barbosa, J. V.; Vieira, D.; Vieites Diaz, M.; Viemann, H.; Vilasis-Cardona, X.; Vitti, M.; Volkov, V.; Vollhardt, A.; Voneki, B.; Vorobyev, A.; Vorobyev, V.; Voß, C.; de Vries, J. A.; Vázquez Sierra, C.; Waldi, R.; Walsh, J.; Wang, J.; Wang, Y.; Ward, D. R.; Wark, H. M.; Watson, N. K.; Websdale, D.; Weiden, A.; Weisser, C.; Whitehead, M.; Wicht, J.; Wilkinson, G.; Wilkinson, M.; Williams, M.; Williams, M.; Williams, T.; Wilson, F. F.; Wimberley, J.; Winn, M.; Wishahi, J.; Wislicki, W.; Witek, M.; Wormser, G.; Wotton, S. A.; Wyllie, K.; Xie, Y.; Xu, M.; Xu, Q.; Xu, Z.; Xu, Z.; Yang, Z.; Yang, Z.; Yao, Y.; Yin, H.; Yu, J.; Yuan, X.; Yushchenko, O.; Zarebski, K. A.; Zavertyaev, M.; Zhang, L.; Zhang, Y.; Zhelezov, A.; Zheng, Y.; Zhu, X.; Zhukov, V.; Zonneveld, J. B.; Zucchelli, S.

2018-03-01

The difference between the CP asymmetries in the decays Λ c + → pK - K + and Λ c + → pπ - π + is presented. Proton-proton collision data taken at centre-of-mass energies of 7 and 8 TeV collected by the LHCb detector in 2011 and 2012 are used, corresponding to an integrated luminosity of 3 fb-1. The Λ c + candidates are reconstructed as part of the Λ b 0 → Λ c + μ - X decay chain. In order to maximize the cancellation of production and detection asymmetries in the difference, the final-state kinematic distributions of the two samples are aligned by applying phase-space-dependent weights to the Λ c + → pπ - π + sample. This alters the definition of the integrated CP asymmetry to A CP wgt ( pπ - π +). Both samples are corrected for reconstruction and selection efficiencies across the five-dimensional Λ c + decay phase space. The difference in CP asymmetries is found to be Δ {A}_{CP}^{wgt}={A}_{CP}(p{K}-{K}+) - {A}_{CP}^{wgt}(p{π}-{π}+) = (0.30 ± 0.91 ± 0.61) %, where the first uncertainty is statistical and the second is systematic.

Impact localization on composite laminates using fiber Bragg grating sensors and a novel technique based on strain amplitude

NASA Astrophysics Data System (ADS)

Zhao, Gang; Li, Shuxin; Hu, Haixiao; Zhong, Yucheng; Li, Kun

2018-01-01

Carbon fiber reinforced composite materials have been widely used in aerospace and other high-tech fields because of their excellent performance. However barely visible impact damage can be introduced by low velocity impact, which might bring out tremendous risk. In this paper, a new method is proposed to predict the position of low velocity impact. The dynamic strain signal that is caused by low velocity impact is obtained by the fiber Bragg grating (FBG) sensor. The amplitude of the first K order natural frequency is extracted by Fast Fourier Transform (FFT). The amplitude data is normalized, and then establish k order vector matrix model is established. It is proposed that K order sum of squares of deviations can be used as the basis to predict positioning. Two different validation tests were performed. The experimental model was made of different layers. FBG were used to embed and paste type method, experiments were conducted with impact of different energy levels. The results show that proposed method is feasible.

Likelihood reconstruction method of real-space density and velocity power spectra from a redshift galaxy survey

NASA Astrophysics Data System (ADS)

Tang, Jiayu; Kayo, Issha; Takada, Masahiro

2011-09-01

We develop a maximum likelihood based method of reconstructing the band powers of the density and velocity power spectra at each wavenumber bin from the measured clustering features of galaxies in redshift space, including marginalization over uncertainties inherent in the small-scale, non-linear redshift distortion, the Fingers-of-God (FoG) effect. The reconstruction can be done assuming that the density and velocity power spectra depend on the redshift-space power spectrum having different angular modulations of μ with μ2n (n= 0, 1, 2) and that the model FoG effect is given as a multiplicative function in the redshift-space spectrum. By using N-body simulations and the halo catalogues, we test our method by comparing the reconstructed power spectra with the spectra directly measured from the simulations. For the spectrum of μ0 or equivalently the density power spectrum Pδδ(k), our method recovers the amplitudes to an accuracy of a few per cent up to k≃ 0.3 h Mpc-1 for both dark matter and haloes. For the power spectrum of μ2, which is equivalent to the density-velocity power spectrum Pδθ(k) in the linear regime, our method can recover, within the statistical errors, the input power spectrum for dark matter up to k≃ 0.2 h Mpc-1 and at both redshifts z= 0 and 1, if the adequate FoG model being marginalized over is employed. However, for the halo spectrum that is least affected by the FoG effect, the reconstructed spectrum shows greater amplitudes than the spectrum Pδθ(k) inferred from the simulations over a range of wavenumbers 0.05 ≤k≤ 0.3 h Mpc-1. We argue that the disagreement may be ascribed to a non-linearity effect that arises from the cross-bispectra of density and velocity perturbations. Using the perturbation theory and assuming Einstein gravity as in simulations, we derive the non-linear correction term to the redshift-space spectrum, and find that the leading-order correction term is proportional to μ2 and increases the μ2-power spectrum amplitudes more significantly at larger k, at lower redshifts and for more massive haloes. We find that adding the non-linearity correction term to the simulation Pδθ(k) can fairly well reproduce the reconstructed Pδθ(k) for haloes up to k≃ 0.2 h Mpc-1.

Analysis of genetic population structure in Acacia caven (Leguminosae, Mimosoideae), comparing one exploratory and two Bayesian-model-based methods.

PubMed

Pometti, Carolina L; Bessega, Cecilia F; Saidman, Beatriz O; Vilardi, Juan C

2014-03-01

Bayesian clustering as implemented in STRUCTURE or GENELAND software is widely used to form genetic groups of populations or individuals. On the other hand, in order to satisfy the need for less computer-intensive approaches, multivariate analyses are specifically devoted to extracting information from large datasets. In this paper, we report the use of a dataset of AFLP markers belonging to 15 sampling sites of Acacia caven for studying the genetic structure and comparing the consistency of three methods: STRUCTURE, GENELAND and DAPC. Of these methods, DAPC was the fastest one and showed accuracy in inferring the K number of populations (K = 12 using the find.clusters option and K = 15 with a priori information of populations). GENELAND in turn, provides information on the area of membership probabilities for individuals or populations in the space, when coordinates are specified (K = 12). STRUCTURE also inferred the number of K populations and the membership probabilities of individuals based on ancestry, presenting the result K = 11 without prior information of populations and K = 15 using the LOCPRIOR option. Finally, in this work all three methods showed high consistency in estimating the population structure, inferring similar numbers of populations and the membership probabilities of individuals to each group, with a high correlation between each other.

Dynamic analysis for shuttle design verification

NASA Technical Reports Server (NTRS)

Fralich, R. W.; Green, C. E.; Rheinfurth, M. H.

1972-01-01

Two approaches that are used for determining the modes and frequencies of space shuttle structures are discussed. The first method, direct numerical analysis, involves finite element mathematical modeling of the space shuttle structure in order to use computer programs for dynamic structural analysis. The second method utilizes modal-coupling techniques of experimental verification made by vibrating only spacecraft components and by deducing modes and frequencies of the complete vehicle from results obtained in the component tests.

Some Aspects of Essentially Nonoscillatory (ENO) Formulations for the Euler Equations, Part 3

NASA Technical Reports Server (NTRS)

Chakravarthy, Sukumar R.

1990-01-01

An essentially nonoscillatory (ENO) formulation is described for hyperbolic systems of conservation laws. ENO approaches are based on smart interpolation to avoid spurious numerical oscillations. ENO schemes are a superset of Total Variation Diminishing (TVD) schemes. In the recent past, TVD formulations were used to construct shock capturing finite difference methods. At extremum points of the solution, TVD schemes automatically reduce to being first-order accurate discretizations locally, while away from extrema they can be constructed to be of higher order accuracy. The new framework helps construct essentially non-oscillatory finite difference methods without recourse to local reductions of accuracy to first order. Thus arbitrarily high orders of accuracy can be obtained. The basic general ideas of the new approach can be specialized in several ways and one specific implementation is described based on: (1) the integral form of the conservation laws; (2) reconstruction based on the primitive functions; (3) extension to multiple dimensions in a tensor product fashion; and (4) Runge-Kutta time integration. The resulting method is fourth-order accurate in time and space and is applicable to uniform Cartesian grids. The construction of such schemes for scalar equations and systems in one and two space dimensions is described along with several examples which illustrate interesting aspects of the new approach.

Analytical Algorithms to Quantify the Uncertainty in Remaining Useful Life Prediction

NASA Technical Reports Server (NTRS)

Sankararaman, Shankar; Saxena, Abhinav; Daigle, Matthew; Goebel, Kai

2013-01-01

This paper investigates the use of analytical algorithms to quantify the uncertainty in the remaining useful life (RUL) estimate of components used in aerospace applications. The prediction of RUL is affected by several sources of uncertainty and it is important to systematically quantify their combined effect by computing the uncertainty in the RUL prediction in order to aid risk assessment, risk mitigation, and decisionmaking. While sampling-based algorithms have been conventionally used for quantifying the uncertainty in RUL, analytical algorithms are computationally cheaper and sometimes, are better suited for online decision-making. While exact analytical algorithms are available only for certain special cases (for e.g., linear models with Gaussian variables), effective approximations can be made using the the first-order second moment method (FOSM), the first-order reliability method (FORM), and the inverse first-order reliability method (Inverse FORM). These methods can be used not only to calculate the entire probability distribution of RUL but also to obtain probability bounds on RUL. This paper explains these three methods in detail and illustrates them using the state-space model of a lithium-ion battery.

Phase gradient imaging for positive contrast generation to superparamagnetic iron oxide nanoparticle-labeled targets in magnetic resonance imaging.

PubMed

Zhu, Haitao; Demachi, Kazuyuki; Sekino, Masaki

2011-09-01

Positive contrast imaging methods produce enhanced signal at large magnetic field gradient in magnetic resonance imaging. Several postprocessing algorithms, such as susceptibility gradient mapping and phase gradient mapping methods, have been applied for positive contrast generation to detect the cells targeted by superparamagnetic iron oxide nanoparticles. In the phase gradient mapping methods, smoothness condition has to be satisfied to keep the phase gradient unwrapped. Moreover, there has been no discussion about the truncation artifact associated with the algorithm of differentiation that is performed in k-space by the multiplication with frequency value. In this work, phase gradient methods are discussed by considering the wrapping problem when the smoothness condition is not satisfied. A region-growing unwrapping algorithm is used in the phase gradient image to solve the problem. In order to reduce the truncation artifact, a cosine function is multiplied in the k-space to eliminate the abrupt change at the boundaries. Simulation, phantom and in vivo experimental results demonstrate that the modified phase gradient mapping methods may produce improved positive contrast effects by reducing truncation or wrapping artifacts. Copyright © 2011 Elsevier Inc. All rights reserved.

Identifiability and identification of trace continuous pollutant source.

PubMed

Qu, Hongquan; Liu, Shouwen; Pang, Liping; Hu, Tao

2014-01-01

Accidental pollution events often threaten people's health and lives, and a pollutant source is very necessary so that prompt remedial actions can be taken. In this paper, a trace continuous pollutant source identification method is developed to identify a sudden continuous emission pollutant source in an enclosed space. The location probability model is set up firstly, and then the identification method is realized by searching a global optimal objective value of the location probability. In order to discuss the identifiability performance of the presented method, a conception of a synergy degree of velocity fields is presented in order to quantitatively analyze the impact of velocity field on the identification performance. Based on this conception, some simulation cases were conducted. The application conditions of this method are obtained according to the simulation studies. In order to verify the presented method, we designed an experiment and identified an unknown source appearing in the experimental space. The result showed that the method can identify a sudden trace continuous source when the studied situation satisfies the application conditions.

Crystal growth and magnetic properties of equiatomic CeAl

NASA Astrophysics Data System (ADS)

Das, Pranab Kumar; Thamizhavel, A.

2015-03-01

Single crystal of CeAl has been grown by flux method using Ce-Al self-flux. Several needle like single crystals were obtained and the length of the needle corresponds to the [001] crystallographic direction. Powder x-ray diffraction revealed that CeAl crystallizes in orthorhombic CrB-type structure with space group Cmcm (no. 63). The magnetic properties have been investigated by means of magnetic susceptibility, isothermal magnetization, electrical transport, and heat capacity measurements. CeAl is found to order antiferromagnetically with a Neel temperature TN = 10 K. The magnetization data below the ordering temperature reveals two metamagentic transitions for fields less than 20 kOe. From the inverse magnetic susceptibility an effective moment of 2.66 μB/Ce has been estimated, which indicates that Ce is in its trivalent state. Electrical resistivity data clearly shows a sharp drop at 10 K due to the reduction of spin disorder scattering of conduction electrons thus confirming the magnetic ordering. The estimated residual resistivity ratio (RRR) is 33, thus indicating a good quality of the single crystal. The bulk nature of the magnetic ordering is also confirmed by heat capacity data. From the Schottky anomaly of the heat capacity we have estimated the crystal field level splitting energies of the (2J + 1) degenerate ground state as 25 K and 175 K respectively for the fist and second excited states.

Magnetic Fields Generated by Internal Ocean Seawater Motion

DTIC Science & Technology

1991-12-01

detection; Internal Waves; Boundary laver turbulence A’• S’N AC’ :Conrinue on re~erse ,f necessary and ,denbly by blo( k nurlbu.r) This thesis models...to a two- dimensional spectrum, and integrated over wavenumber from a minimum, k ~i, to infinity to give B,𔃼(W) . In the other, application of a...order of magnitude as ionospherically generated signals. The first k -dependence method yielded frequency responses that do not follow the 1/f 2

Deep learning with domain adaptation for accelerated projection-reconstruction MR.

PubMed

Han, Yoseob; Yoo, Jaejun; Kim, Hak Hee; Shin, Hee Jung; Sung, Kyunghyun; Ye, Jong Chul

2018-09-01

The radial k-space trajectory is a well-established sampling trajectory used in conjunction with magnetic resonance imaging. However, the radial k-space trajectory requires a large number of radial lines for high-resolution reconstruction. Increasing the number of radial lines causes longer acquisition time, making it more difficult for routine clinical use. On the other hand, if we reduce the number of radial lines, streaking artifact patterns are unavoidable. To solve this problem, we propose a novel deep learning approach with domain adaptation to restore high-resolution MR images from under-sampled k-space data. The proposed deep network removes the streaking artifacts from the artifact corrupted images. To address the situation given the limited available data, we propose a domain adaptation scheme that employs a pre-trained network using a large number of X-ray computed tomography (CT) or synthesized radial MR datasets, which is then fine-tuned with only a few radial MR datasets. The proposed method outperforms existing compressed sensing algorithms, such as the total variation and PR-FOCUSS methods. In addition, the calculation time is several orders of magnitude faster than the total variation and PR-FOCUSS methods. Moreover, we found that pre-training using CT or MR data from similar organ data is more important than pre-training using data from the same modality for different organ. We demonstrate the possibility of a domain-adaptation when only a limited amount of MR data is available. The proposed method surpasses the existing compressed sensing algorithms in terms of the image quality and computation time. © 2018 International Society for Magnetic Resonance in Medicine.

High-Accuracy Surface Figure Measurement of Silicon Mirrors at 80 K

NASA Technical Reports Server (NTRS)

Blake, Peter; Mink, Ronald G.; Chambers, John; Davila, Pamela; Robinson, F. David

2004-01-01

This report describes the equipment, experimental methods, and first results at a new facility for interferometric measurement of cryogenically-cooled spherical mirrors at the Goddard Space Flight Center Optics Branch. The procedure, using standard phase-shifting interferometry, has an standard combined uncertainty of 3.6 nm rms in its representation of the two-dimensional surface figure error at 80, and an uncertainty of plus or minus 1 nm in the rms statistic itself. The first mirror tested was a concave spherical silicon foam-core mirror, with a clear aperture of 120 mm. The optic surface was measured at room temperature using standard absolute techniques; and then the change in surface figure error from room temperature to 80 K was measured. The mirror was cooled within a cryostat. and its surface figure error measured through a fused-silica window. The facility and techniques will be used to measure the surface figure error at 20K of prototype lightweight silicon carbide and Cesic mirrors developed by Galileo Avionica (Italy) for the European Space Agency (ESA).

The frustrated fcc antiferromagnet Ba 2 YOsO 6: Structural characterization, magnetic properties and neutron scattering studies

DOE PAGES

Kermarrec, E.; Marjerrison, Casey A.; Thompson, C. M.; ...

2015-02-26

Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba 2 YOsO 6. The Fmmore » $$\\bar{3}$$m space group is found both at 290 K and 3.5 K with cell constants a 0=8.3541(4) Å and 8.3435(4) Å, respectively. Os 5+ (5d 3) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below T N~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μ B on Os 5+. The ordered moment is much reduced from either the expected spin-only value of ~3 μ B or the value appropriate to 4d 3 Ru 5+ in isostructural Ba 2 YRuO 6 of 2.2(1) μ B, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d 3 electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru 5+,4d 3 cubic double perovskite Ba 2YRuO 6, and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.« less

The graphene oxide membrane immersing in the aqueous solution studied by electrochemical impedance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Yongjing; Chen, Zhe; Yao, Lei; Wang, Xiao; Fu, Ping; Lin, Zhidong

2018-04-01

The interlayer spacing of graphene oxide (GO) is a key property for GO membrane. To probe the variation of interlayer spacing of the GO membrane immersing in KCl aqueous solution, electrochemical impedance spectroscopy (EIS), x-ray diffraction (XRD) and computational calculation was utilized in this study. The XRD patterns show that soaking in KCl aqueous solution leads to an increase of interlayer spacing of GO membrane. And the EIS results indicate that during the immersing process, the charge transfer resistance of GO membrane decreases first and then increases. Computational calculation confirms that intercalated water molecules can result in an increase of interlayer spacing of GO membrane, while the permeation of K+ ions would lead to a decrease of interlayer spacing. All the results are in agreement with each other. It suggests that during the immersing process, the interlayer spacing of GO enlarges first and then decreases. EIS can be a promisingly online method for examining the interlayer spacing of GO in the aqueous solution.

A rapid and robust gradient measurement technique using dynamic single-point imaging.

PubMed

Jang, Hyungseok; McMillan, Alan B

2017-09-01

We propose a new gradient measurement technique based on dynamic single-point imaging (SPI), which allows simple, rapid, and robust measurement of k-space trajectory. To enable gradient measurement, we utilize the variable field-of-view (FOV) property of dynamic SPI, which is dependent on gradient shape. First, one-dimensional (1D) dynamic SPI data are acquired from a targeted gradient axis, and then relative FOV scaling factors between 1D images or k-spaces at varying encoding times are found. These relative scaling factors are the relative k-space position that can be used for image reconstruction. The gradient measurement technique also can be used to estimate the gradient impulse response function for reproducible gradient estimation as a linear time invariant system. The proposed measurement technique was used to improve reconstructed image quality in 3D ultrashort echo, 2D spiral, and multi-echo bipolar gradient-echo imaging. In multi-echo bipolar gradient-echo imaging, measurement of the k-space trajectory allowed the use of a ramp-sampled trajectory for improved acquisition speed (approximately 30%) and more accurate quantitative fat and water separation in a phantom. The proposed dynamic SPI-based method allows fast k-space trajectory measurement with a simple implementation and no additional hardware for improved image quality. Magn Reson Med 78:950-962, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Bennett's acceptance ratio and histogram analysis methods enhanced by umbrella sampling along a reaction coordinate in configurational space.

PubMed

Kim, Ilsoo; Allen, Toby W

2012-04-28

Free energy perturbation, a method for computing the free energy difference between two states, is often combined with non-Boltzmann biased sampling techniques in order to accelerate the convergence of free energy calculations. Here we present a new extension of the Bennett acceptance ratio (BAR) method by combining it with umbrella sampling (US) along a reaction coordinate in configurational space. In this approach, which we call Bennett acceptance ratio with umbrella sampling (BAR-US), the conditional histogram of energy difference (a mapping of the 3N-dimensional configurational space via a reaction coordinate onto 1D energy difference space) is weighted for marginalization with the associated population density along a reaction coordinate computed by US. This procedure produces marginal histograms of energy difference, from forward and backward simulations, with higher overlap in energy difference space, rendering free energy difference estimations using BAR statistically more reliable. In addition to BAR-US, two histogram analysis methods, termed Bennett overlapping histograms with US (BOH-US) and Bennett-Hummer (linear) least square with US (BHLS-US), are employed as consistency and convergence checks for free energy difference estimation by BAR-US. The proposed methods (BAR-US, BOH-US, and BHLS-US) are applied to a 1-dimensional asymmetric model potential, as has been used previously to test free energy calculations from non-equilibrium processes. We then consider the more stringent test of a 1-dimensional strongly (but linearly) shifted harmonic oscillator, which exhibits no overlap between two states when sampled using unbiased Brownian dynamics. We find that the efficiency of the proposed methods is enhanced over the original Bennett's methods (BAR, BOH, and BHLS) through fast uniform sampling of energy difference space via US in configurational space. We apply the proposed methods to the calculation of the electrostatic contribution to the absolute solvation free energy (excess chemical potential) of water. We then address the controversial issue of ion selectivity in the K(+) ion channel, KcsA. We have calculated the relative binding affinity of K(+) over Na(+) within a binding site of the KcsA channel for which different, though adjacent, K(+) and Na(+) configurations exist, ideally suited to these US-enhanced methods. Our studies demonstrate that the significant improvements in free energy calculations obtained using the proposed methods can have serious consequences for elucidating biological mechanisms and for the interpretation of experimental data.

Stabilization of an inverted pendulum-cart system by fractional PI-state feedback.

PubMed

Bettayeb, M; Boussalem, C; Mansouri, R; Al-Saggaf, U M

2014-03-01

This paper deals with pole placement PI-state feedback controller design to control an integer order system. The fractional aspect of the control law is introduced by a dynamic state feedback as u(t)=K(p)x(t)+K(I)I(α)(x(t)). The closed loop characteristic polynomial is thus fractional for which the roots are complex to calculate. The proposed method allows us to decompose this polynomial into a first order fractional polynomial and an integer order polynomial of order n-1 (n being the order of the integer system). This new stabilization control algorithm is applied for an inverted pendulum-cart test-bed, and the effectiveness and robustness of the proposed control are examined by experiments. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Pure phase encode magnetic field gradient monitor.

PubMed

Han, Hui; MacGregor, Rodney P; Balcom, Bruce J

2009-12-01

Numerous methods have been developed to measure MRI gradient waveforms and k-space trajectories. The most promising new strategy appears to be magnetic field monitoring with RF microprobes. Multiple RF microprobes may record the magnetic field evolution associated with a wide variety of imaging pulse sequences. The method involves exciting one or more test samples and measuring the time evolution of magnetization through the FIDs. Two critical problems remain. The gradient waveform duration is limited by the sample T(2)*, while the k-space maxima are limited by gradient dephasing. The method presented is based on pure phase encode FIDs and solves the above two problems in addition to permitting high strength gradient measurement. A small doped water phantom (1-3 mm droplet, T(1), T(2), T(2)* < 100 micros) within a microprobe is excited by a series of closely spaced broadband RF pulses each followed by FID single point acquisition. Two trial gradient waveforms have been chosen to illustrate the technique, neither of which could be measured by the conventional RF microprobe measurement. The first is an extended duration gradient waveform while the other illustrates the new method's ability to measure gradient waveforms with large net area and/or high amplitude. The new method is a point monitor with simple implementation and low cost hardware requirements.

An efficient shooting algorithm for Evans function calculations in large systems

NASA Astrophysics Data System (ADS)

Humpherys, Jeffrey; Zumbrun, Kevin

2006-08-01

In Evans function computations of the spectra of asymptotically constant-coefficient linear operators, a basic issue is the efficient and numerically stable computation of subspaces evolving according to the associated eigenvalue ODE. For small systems, a fast, shooting algorithm may be obtained by representing subspaces as single exterior products [J.C. Alexander, R. Sachs, Linear instability of solitary waves of a Boussinesq-type equation: A computer assisted computation, Nonlinear World 2 (4) (1995) 471-507; L.Q. Brin, Numerical testing of the stability of viscous shock waves, Ph.D. Thesis, Indiana University, Bloomington, 1998; L.Q. Brin, Numerical testing of the stability of viscous shock waves, Math. Comp. 70 (235) (2001) 1071-1088; L.Q. Brin, K. Zumbrun, Analytically varying eigenvectors and the stability of viscous shock waves, in: Seventh Workshop on Partial Differential Equations, Part I, 2001, Rio de Janeiro, Mat. Contemp. 22 (2002) 19-32; T.J. Bridges, G. Derks, G. Gottwald, Stability and instability of solitary waves of the fifth-order KdV equation: A numerical framework, Physica D 172 (1-4) (2002) 190-216]. For large systems, however, the dimension of the exterior-product space quickly becomes prohibitive, growing as (n/k), where n is the dimension of the system written as a first-order ODE and k (typically ˜n/2) is the dimension of the subspace. We resolve this difficulty by the introduction of a simple polar coordinate algorithm representing “pure” (monomial) products as scalar multiples of orthonormal bases, for which the angular equation is a numerically optimized version of the continuous orthogonalization method of Drury-Davey [A. Davey, An automatic orthonormalization method for solving stiff boundary value problems, J. Comput. Phys. 51 (2) (1983) 343-356; L.O. Drury, Numerical solution of Orr-Sommerfeld-type equations, J. Comput. Phys. 37 (1) (1980) 133-139] and the radial equation is evaluable by quadrature. Notably, the polar-coordinate method preserves the important property of analyticity with respect to parameters.

Inferring Markov chains: Bayesian estimation, model comparison, entropy rate, and out-of-class modeling.

PubMed

Strelioff, Christopher C; Crutchfield, James P; Hübler, Alfred W

2007-07-01

Markov chains are a natural and well understood tool for describing one-dimensional patterns in time or space. We show how to infer kth order Markov chains, for arbitrary k , from finite data by applying Bayesian methods to both parameter estimation and model-order selection. Extending existing results for multinomial models of discrete data, we connect inference to statistical mechanics through information-theoretic (type theory) techniques. We establish a direct relationship between Bayesian evidence and the partition function which allows for straightforward calculation of the expectation and variance of the conditional relative entropy and the source entropy rate. Finally, we introduce a method that uses finite data-size scaling with model-order comparison to infer the structure of out-of-class processes.

A comparison of octanol-water partitioning between organic chemicals and their metabolites in mammals.

PubMed

Pirovano, Alessandra; Borile, Nicolò; Jan Hendriks, A

2012-08-01

Bioaccumulation models take various elimination and uptake processes into account, estimating rates from chemical lipophilicity, expressed as the octanol-water partition ratio (K(ow)). Here, we focussed on metabolism, which transforms parent compounds into usually more polar metabolites, thus enhancing elimination. The aim of this study was to quantify the change in lipophilicity of relevant organic pollutants undergoing various biotransformation reactions in mammals. We considered oxidation reactions catalyzed by three enzyme groups: cytochrome P450 (CYP), alcohol dehydrogenase (ADH), and aldehyde dehydrogenase (ALDH). Estimated logK(ow) values of a selected dataset of parent compounds were compared with the logK(ow) of their first metabolites. The logK(ow) decreased by a factor that varies between 0 and -2, depending on the metabolic pathway. For reactions mediated by CYP, the decrease in K(ow) was one order of magnitude for hydroxylated and epoxidated compounds and two orders of magnitude for dihydroxylated and sulphoxidated xenobiotics. On the other hand, no significant change in lipophilicity was observed for compounds N-hydroxylated by CYP and for alcohols and aldehydes metabolized by ADH and ALDH. These trends could be anticipated by the calculus method of logK(ow). Yet, they were validated using experimental logK(ow) values, when available. These relationships estimate the extent to which the elimination of pollutants is increased by biotransformation. Thus, the quantification of the K(ow) reduction can be considered as a first necessary step in an alternative approach to anticipate biotransformation rates, which are hard to estimate with existing methods. Copyright © 2012 Elsevier Ltd. All rights reserved.

A comparison of acceleration methods for solving the neutron transport k-eigenvalue problem

NASA Astrophysics Data System (ADS)

Willert, Jeffrey; Park, H.; Knoll, D. A.

2014-10-01

Over the past several years a number of papers have been written describing modern techniques for numerically computing the dominant eigenvalue of the neutron transport criticality problem. These methods fall into two distinct categories. The first category of methods rewrite the multi-group k-eigenvalue problem as a nonlinear system of equations and solve the resulting system using either a Jacobian-Free Newton-Krylov (JFNK) method or Nonlinear Krylov Acceleration (NKA), a variant of Anderson Acceleration. These methods are generally successful in significantly reducing the number of transport sweeps required to compute the dominant eigenvalue. The second category of methods utilize Moment-Based Acceleration (or High-Order/Low-Order (HOLO) Acceleration). These methods solve a sequence of modified diffusion eigenvalue problems whose solutions converge to the solution of the original transport eigenvalue problem. This second class of methods is, in our experience, always superior to the first, as most of the computational work is eliminated by the acceleration from the LO diffusion system. In this paper, we review each of these methods. Our computational results support our claim that the choice of which nonlinear solver to use, JFNK or NKA, should be secondary. The primary computational savings result from the implementation of a HOLO algorithm. We display computational results for a series of challenging multi-dimensional test problems.

Efficient and effective pruning strategies for health data de-identification.

PubMed

Prasser, Fabian; Kohlmayer, Florian; Kuhn, Klaus A

2016-04-30

Privacy must be protected when sensitive biomedical data is shared, e.g. for research purposes. Data de-identification is an important safeguard, where datasets are transformed to meet two conflicting objectives: minimizing re-identification risks while maximizing data quality. Typically, de-identification methods search a solution space of possible data transformations to find a good solution to a given de-identification problem. In this process, parts of the search space must be excluded to maintain scalability. The set of transformations which are solution candidates is typically narrowed down by storing the results obtained during the search process and then using them to predict properties of the output of other transformations in terms of privacy (first objective) and data quality (second objective). However, due to the exponential growth of the size of the search space, previous implementations of this method are not well-suited when datasets contain many attributes which need to be protected. As this is often the case with biomedical research data, e.g. as a result of longitudinal collection, we have developed a novel method. Our approach combines the mathematical concept of antichains with a data structure inspired by prefix trees to represent properties of a large number of data transformations while requiring only a minimal amount of information to be stored. To analyze the improvements which can be achieved by adopting our method, we have integrated it into an existing algorithm and we have also implemented a simple best-first branch and bound search (BFS) algorithm as a first step towards methods which fully exploit our approach. We have evaluated these implementations with several real-world datasets and the k-anonymity privacy model. When integrated into existing de-identification algorithms for low-dimensional data, our approach reduced memory requirements by up to one order of magnitude and execution times by up to 25 %. This allowed us to increase the size of solution spaces which could be processed by almost a factor of 10. When using the simple BFS method, we were able to further increase the size of the solution space by a factor of three. When used as a heuristic strategy for high-dimensional data, the BFS approach outperformed a state-of-the-art algorithm by up to 12 % in terms of the quality of output data. This work shows that implementing methods of data de-identification for real-world applications is a challenging task. Our approach solves a problem often faced by data custodians: a lack of scalability of de-identification software when used with datasets having realistic schemas and volumes. The method described in this article has been implemented into ARX, an open source de-identification software for biomedical data.

A New Linearized Crank-Nicolson Mixed Element Scheme for the Extended Fisher-Kolmogorov Equation

PubMed Central

Wang, Jinfeng; Li, Hong; He, Siriguleng; Gao, Wei

2013-01-01

We present a new mixed finite element method for solving the extended Fisher-Kolmogorov (EFK) equation. We first decompose the EFK equation as the two second-order equations, then deal with a second-order equation employing finite element method, and handle the other second-order equation using a new mixed finite element method. In the new mixed finite element method, the gradient ∇u belongs to the weaker (L 2(Ω))2 space taking the place of the classical H(div; Ω) space. We prove some a priori bounds for the solution for semidiscrete scheme and derive a fully discrete mixed scheme based on a linearized Crank-Nicolson method. At the same time, we get the optimal a priori error estimates in L 2 and H 1-norm for both the scalar unknown u and the diffusion term w = −Δu and a priori error estimates in (L 2)2-norm for its gradient χ = ∇u for both semi-discrete and fully discrete schemes. PMID:23864831

A new linearized Crank-Nicolson mixed element scheme for the extended Fisher-Kolmogorov equation.

PubMed

Wang, Jinfeng; Li, Hong; He, Siriguleng; Gao, Wei; Liu, Yang

2013-01-01

We present a new mixed finite element method for solving the extended Fisher-Kolmogorov (EFK) equation. We first decompose the EFK equation as the two second-order equations, then deal with a second-order equation employing finite element method, and handle the other second-order equation using a new mixed finite element method. In the new mixed finite element method, the gradient ∇u belongs to the weaker (L²(Ω))² space taking the place of the classical H(div; Ω) space. We prove some a priori bounds for the solution for semidiscrete scheme and derive a fully discrete mixed scheme based on a linearized Crank-Nicolson method. At the same time, we get the optimal a priori error estimates in L² and H¹-norm for both the scalar unknown u and the diffusion term w = -Δu and a priori error estimates in (L²)²-norm for its gradient χ = ∇u for both semi-discrete and fully discrete schemes.

Magnetic order and phase transition in the iron oxysulfide La2O2Fe2OS2

NASA Astrophysics Data System (ADS)

Oogarah, Reeya K.; Suard, Emmanuelle; McCabe, Emma E.

2018-01-01

The Mott-insulating iron oxychalcogenides exhibit complex magnetic behaviour and we report here a neutron diffraction investigation into the magnetic ordering in La2O2Fe2OS2. This quaternary oxysulfide adopts the anti-Sr2MnO2Mn2Sb2-type structure (described by space group I4/mmm) and orders antiferromagnetically below TN = 105 K. We consider both its long-range magnetic structure and its magnetic microstructure, and the onset of magnetic order. It adopts the multi-k vector "2k" magnetic structure (k = (1/2 0 1/2) and k = (0 1/2 1/2) and has similarities with related iron oxychalcogenides, illustrating the robust nature of the "2k" magnetic structure.

Errors from approximation of ODE systems with reduced order models

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

Vassilevska, Tanya

2016-12-30

This is a code to calculate the error from approximation of systems of ordinary differential equations (ODEs) by using Proper Orthogonal Decomposition (POD) Reduced Order Models (ROM) methods and to compare and analyze the errors for two POD ROM variants. The first variant is the standard POD ROM, the second variant is a modification of the method using the values of the time derivatives (a.k.a. time-derivative snapshots). The code compares the errors from the two variants under different conditions.

Accelerating Dynamic Magnetic Resonance Imaging (MRI) for Lung Tumor Tracking Based on Low-Rank Decomposition in the Spatial–Temporal Domain: A Feasibility Study Based on Simulation and Preliminary Prospective Undersampled MRI

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

Sarma, Manoj; Department of Radiation Oncology, University of California, Los Angeles, California; Hu, Peng

Purpose: To evaluate a low-rank decomposition method to reconstruct down-sampled k-space data for the purpose of tumor tracking. Methods and Materials: Seven retrospective lung cancer patients were included in the simulation study. The fully-sampled k-space data were first generated from existing 2-dimensional dynamic MR images and then down-sampled by 5 × -20 × before reconstruction using a Cartesian undersampling mask. Two methods, a low-rank decomposition method using combined dynamic MR images (k-t SLR based on sparsity and low-rank penalties) and a total variation (TV) method using individual dynamic MR frames, were used to reconstruct images. The tumor trajectories were derived on the basis ofmore » autosegmentation of the resultant images. To further test its feasibility, k-t SLR was used to reconstruct prospective data of a healthy subject. An undersampled balanced steady-state free precession sequence with the same undersampling mask was used to acquire the imaging data. Results: In the simulation study, higher imaging fidelity and low noise levels were achieved with the k-t SLR compared with TV. At 10 × undersampling, the k-t SLR method resulted in an average normalized mean square error <0.05, as opposed to 0.23 by using the TV reconstruction on individual frames. Less than 6% showed tracking errors >1 mm with 10 × down-sampling using k-t SLR, as opposed to 17% using TV. In the prospective study, k-t SLR substantially reduced reconstruction artifacts and retained anatomic details. Conclusions: Magnetic resonance reconstruction using k-t SLR on highly undersampled dynamic MR imaging data results in high image quality useful for tumor tracking. The k-t SLR was superior to TV by better exploiting the intrinsic anatomic coherence of the same patient. The feasibility of k-t SLR was demonstrated by prospective imaging acquisition and reconstruction.« less

User Activity Recognition in Smart Homes Using Pattern Clustering Applied to Temporal ANN Algorithm.

PubMed

Bourobou, Serge Thomas Mickala; Yoo, Younghwan

2015-05-21

This paper discusses the possibility of recognizing and predicting user activities in the IoT (Internet of Things) based smart environment. The activity recognition is usually done through two steps: activity pattern clustering and activity type decision. Although many related works have been suggested, they had some limited performance because they focused only on one part between the two steps. This paper tries to find the best combination of a pattern clustering method and an activity decision algorithm among various existing works. For the first step, in order to classify so varied and complex user activities, we use a relevant and efficient unsupervised learning method called the K-pattern clustering algorithm. In the second step, the training of smart environment for recognizing and predicting user activities inside his/her personal space is done by utilizing the artificial neural network based on the Allen's temporal relations. The experimental results show that our combined method provides the higher recognition accuracy for various activities, as compared with other data mining classification algorithms. Furthermore, it is more appropriate for a dynamic environment like an IoT based smart home.

Preparation and magnetic properties of multiferroic CuMnO2 nanoparticles.

PubMed

Kurokawa, Akinobu; Yanoh, Tkuya; Yano, Shinya; Ichiyanagi, Yuko

2014-03-01

CuMnO2 nanoparticles with diameters of 64 nm were synthesized by a novel wet chemical method. An optimized two-step annealing method was developed through the analysis of thermogravimetric differential thermal analysis (TG-DTA) measurements in order to obtain single-phase CuMnO2. A sharp exothermic peak was observed in the DTA curve at approximately 500 K where structural changes of the copper oxides and manganese oxides in the precursor are expected to occur. It is believed that Cu+ ions were oxidized to Cu2+ ions and that Mn2+ ions were oxidized to Mn3+ ions in the Cu-Mn-O system. Deoxidization reactions were also found at approximately 1200 K. The optimized annealing temperature for the first step was determined to be 623 K in air. The optimized annealing temperature for the second step was 1173 K in an Ar atmosphere. Magnetization measurements suggested an antiferromagnetic spin ordering at approximately 50 K. It was expected that Mn3+ spin interactions induced magnetic phase transition affected by definite temperature.

MAPPING GROWTH AND GRAVITY WITH ROBUST REDSHIFT SPACE DISTORTIONS

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

Kwan, Juliana; Lewis, Geraint F.; Linder, Eric V.

2012-04-01

Redshift space distortions (RSDs) caused by galaxy peculiar velocities provide a window onto the growth rate of large-scale structure and a method for testing general relativity. We investigate through a comparison of N-body simulations to various extensions of perturbation theory beyond the linear regime, the robustness of cosmological parameter extraction, including the gravitational growth index {gamma}. We find that the Kaiser formula and some perturbation theory approaches bias the growth rate by 1{sigma} or more relative to the fiducial at scales as large as k > 0.07 h Mpc{sup -1}. This bias propagates to estimates of the gravitational growth indexmore » as well as {Omega}{sub m} and the equation-of-state parameter and presents a significant challenge to modeling RSDs. We also determine an accurate fitting function for a combination of line-of-sight damping and higher order angular dependence that allows robust modeling of the redshift space power spectrum to substantially higher k.« less

Breaking Computational Barriers: Real-time Analysis and Optimization with Large-scale Nonlinear Models via Model Reduction

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

Carlberg, Kevin Thomas; Drohmann, Martin; Tuminaro, Raymond S.

2014-10-01

Model reduction for dynamical systems is a promising approach for reducing the computational cost of large-scale physics-based simulations to enable high-fidelity models to be used in many- query (e.g., Bayesian inference) and near-real-time (e.g., fast-turnaround simulation) contexts. While model reduction works well for specialized problems such as linear time-invariant systems, it is much more difficult to obtain accurate, stable, and efficient reduced-order models (ROMs) for systems with general nonlinearities. This report describes several advances that enable nonlinear reduced-order models (ROMs) to be deployed in a variety of time-critical settings. First, we present an error bound for the Gauss-Newton with Approximatedmore » Tensors (GNAT) nonlinear model reduction technique. This bound allows the state-space error for the GNAT method to be quantified when applied with the backward Euler time-integration scheme. Second, we present a methodology for preserving classical Lagrangian structure in nonlinear model reduction. This technique guarantees that important properties--such as energy conservation and symplectic time-evolution maps--are preserved when performing model reduction for models described by a Lagrangian formalism (e.g., molecular dynamics, structural dynamics). Third, we present a novel technique for decreasing the temporal complexity --defined as the number of Newton-like iterations performed over the course of the simulation--by exploiting time-domain data. Fourth, we describe a novel method for refining projection-based reduced-order models a posteriori using a goal-oriented framework similar to mesh-adaptive h -refinement in finite elements. The technique allows the ROM to generate arbitrarily accurate solutions, thereby providing the ROM with a 'failsafe' mechanism in the event of insufficient training data. Finally, we present the reduced-order model error surrogate (ROMES) method for statistically quantifying reduced- order-model errors. This enables ROMs to be rigorously incorporated in uncertainty-quantification settings, as the error model can be treated as a source of epistemic uncertainty. This work was completed as part of a Truman Fellowship appointment. We note that much additional work was performed as part of the Fellowship. One salient project is the development of the Trilinos-based model-reduction software module Razor , which is currently bundled with the Albany PDE code and currently allows nonlinear reduced-order models to be constructed for any application supported in Albany. Other important projects include the following: 1. ROMES-equipped ROMs for Bayesian inference: K. Carlberg, M. Drohmann, F. Lu (Lawrence Berkeley National Laboratory), M. Morzfeld (Lawrence Berkeley National Laboratory). 2. ROM-enabled Krylov-subspace recycling: K. Carlberg, V. Forstall (University of Maryland), P. Tsuji, R. Tuminaro. 3. A pseudo balanced POD method using only dual snapshots: K. Carlberg, M. Sarovar. 4. An analysis of discrete v. continuous optimality in nonlinear model reduction: K. Carlberg, M. Barone, H. Antil (George Mason University). Journal articles for these projects are in progress at the time of this writing.« less

High-temperature structural phase transitions in neighborite: a high-resolution neutron powder diffraction investigation

NASA Astrophysics Data System (ADS)

Knight, Kevin S.; Price, G. David; Stuart, John A.; Wood, Ian G.

2015-01-01

The nature of the apparently continuous structural phase transition at 1,049 K in the perovskite-structured, MgSiO3 isomorph, neighborite (NaMgF3), from the orthorhombic ( Pbnm) hettotype phase to the cubic () aristotype structure, has been re-investigated using high-resolution, time-of-flight neutron powder diffraction. Using data collected at 1 K intervals close to the nominal phase transition temperature, the temperature dependence of the intensities of superlattice reflections at the M point and the R point of the pseudocubic Brillouin zone indicate the existence of a new intermediate tetragonal phase in space group P4/ mbm, with a narrow phase field extending from ~1,046.5 to ~1,048.5 K, at ambient pressure. Group theoretical analysis shows that the structural transitions identified in this study, Pbnm- P4/ mbm, and P4/ mbm-, are permitted to be second order. The observation of the tetragonal phase resolves the longstanding issue of why the high-temperature phase transition, previously identified as Pbnm-, and which would be expected to be first order under Landau theory, is in fact found to be continuous. Analysis of the pseudocubic shear strain shows it to vary with a critical exponent of 0.5 implying that the phase transition from Pbnm to P4/ mbm is tricritical in character. The large librational modes that exist in the MgF6 octahedron at high temperature, and the use of Gaussian probability density functions to describe atomic displacements, result in apparent bond shortening in the Mg-F distances, making mode amplitude determination an unreliable method for determination of the critical exponent from internal coordinates. Crystal structures are reported for the three phases of NaMgF3 at 1,033 K ( Pbnm), 1,047 K ( P4/ mbm) and 1,049 K ().

Matrix completion-based reconstruction for undersampled magnetic resonance fingerprinting data.

PubMed

Doneva, Mariya; Amthor, Thomas; Koken, Peter; Sommer, Karsten; Börnert, Peter

2017-09-01

An iterative reconstruction method for undersampled magnetic resonance fingerprinting data is presented. The method performs the reconstruction entirely in k-space and is related to low rank matrix completion methods. A low dimensional data subspace is estimated from a small number of k-space locations fully sampled in the temporal direction and used to reconstruct the missing k-space samples before MRF dictionary matching. Performing the iterations in k-space eliminates the need for applying a forward and an inverse Fourier transform in each iteration required in previously proposed iterative reconstruction methods for undersampled MRF data. A projection onto the low dimensional data subspace is performed as a matrix multiplication instead of a singular value thresholding typically used in low rank matrix completion, further reducing the computational complexity of the reconstruction. The method is theoretically described and validated in phantom and in-vivo experiments. The quality of the parameter maps can be significantly improved compared to direct matching on undersampled data. Copyright © 2017 Elsevier Inc. All rights reserved.

Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion

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

Cui, Xia, E-mail: cui_xia@iapcm.ac.cn; Yuan, Guang-wei; Shen, Zhi-jun

Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-ordermore » accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion. - Highlights: • Provide AP fully discrete schemes for non-equilibrium radiation diffusion. • Propose second order accurate schemes by asymmetric approach for boundary flux-limiter. • Show first order AP property of spatially and fully discrete schemes with IB evolution. • Devise subtle artificial solutions; verify accuracy and AP property quantitatively. • Ideas can be generalized to 3-dimensional problems and higher order implicit schemes.« less

Reduced size first-order subsonic and supersonic aeroelastic modeling

NASA Technical Reports Server (NTRS)

Karpel, Mordechay

1990-01-01

Various aeroelastic, aeroservoelastic, dynamic-response, and sensitivity analyses are based on a time-domain first-order (state-space) formulation of the equations of motion. The formulation of this paper is based on the minimum-state (MS) aerodynamic approximation method, which yields a low number of aerodynamic augmenting states. Modifications of the MS and the physical weighting procedures make the modeling method even more attractive. The flexibility of constraint selection is increased without increasing the approximation problem size; the accuracy of dynamic residualization of high-frequency modes is improved; and the resulting model is less sensitive to parametric changes in subsequent analyses. Applications to subsonic and supersonic cases demonstrate the generality, flexibility, accuracy, and efficiency of the method.

Data Mining and Machine Learning Models for Predicting Drug Likeness and their Disease or Organ Category

NASA Astrophysics Data System (ADS)

Yosipof, Abraham; Guedes, Rita C.; García-Sosa, Alfonso T.

2018-05-01

Data mining approaches can uncover underlying patterns in chemical and pharmacological property space decisive for drug discovery and development. Two of the most common approaches are visualization and machine learning methods. Visualization methods use dimensionality reduction techniques in order to reduce multi-dimension data into 2D or 3D representations with a minimal loss of information. Machine learning attempts to find correlations between specific activities or classifications for a set of compounds and their features by means of recurring mathematical models. Both models take advantage of the different and deep relationships that can exist between features of compounds, and helpfully provide classification of compounds based on such features. Drug-likeness has been studied from several viewpoints, but here we provide the first implementation in chemoinformatics of the t-Distributed Stochastic Neighbor Embedding (t-SNE) method for the visualization and the representation of chemical space, and the use of different machine learning methods separately and together to form a new ensemble learning method called AL Boost. The models obtained from AL Boost synergistically combine decision tree, random forests (RF), support vector machine (SVM), artificial neuronal network (ANN), k nearest neighbors (kNN), and logistic regression models. In this work, we show that together they form a predictive model that not only improves the predictive force but also decreases bias. This resulted in a corrected classification rate of over 0.81, as well as higher sensitivity and specificity rates for the models. In addition, separation and good models were also achieved for disease categories such as antineoplastic compounds and nervous system diseases, among others. Such models can be used to guide decision on the feature landscape of compounds and their likeness to either drugs or other characteristics, such as specific or multiple disease-category(ies) or organ(s) of action of a molecule.

Pseudo-extravasation rate constant of dynamic susceptibility contrast-MRI determined from pharmacokinetic first principles.

PubMed

Li, Xin; Varallyay, Csanad G; Gahramanov, Seymur; Fu, Rongwei; Rooney, William D; Neuwelt, Edward A

2017-11-01

Dynamic susceptibility contrast-magnetic resonance imaging (DSC-MRI) is widely used to obtain informative perfusion imaging biomarkers, such as the relative cerebral blood volume (rCBV). The related post-processing software packages for DSC-MRI are available from major MRI instrument manufacturers and third-party vendors. One unique aspect of DSC-MRI with low-molecular-weight gadolinium (Gd)-based contrast reagent (CR) is that CR molecules leak into the interstitium space and therefore confound the DSC signal detected. Several approaches to correct this leakage effect have been proposed throughout the years. Amongst the most popular is the Boxerman-Schmainda-Weisskoff (BSW) K 2 leakage correction approach, in which the K 2 pseudo-first-order rate constant quantifies the leakage. In this work, we propose a new method for the BSW leakage correction approach. Based on the pharmacokinetic interpretation of the data, the commonly adopted R 2 * expression accounting for contributions from both intravascular and extravasating CR components is transformed using a method mathematically similar to Gjedde-Patlak linearization. Then, the leakage rate constant (K L ) can be determined as the slope of the linear portion of a plot of the transformed data. Using the DSC data of high-molecular-weight (~750 kDa), iron-based, intravascular Ferumoxytol (FeO), the pharmacokinetic interpretation of the new paradigm is empirically validated. The primary objective of this work is to empirically demonstrate that a linear portion often exists in the graph of the transformed data. This linear portion provides a clear definition of the Gd CR pseudo-leakage rate constant, which equals the slope derived from the linear segment. A secondary objective is to demonstrate that transformed points from the initial transient period during the CR wash-in often deviate from the linear trend of the linearized graph. The inclusion of these points will have a negative impact on the accuracy of the leakage rate constant, and even make it time dependent. Copyright © 2017 John Wiley & Sons, Ltd.

Evaluation of subgrid-scale turbulence models using a fully simulated turbulent flow

NASA Technical Reports Server (NTRS)

Clark, R. A.; Ferziger, J. H.; Reynolds, W. C.

1977-01-01

An exact turbulent flow field was calculated on a three-dimensional grid with 64 points on a side. The flow simulates grid-generated turbulence from wind tunnel experiments. In this simulation, the grid spacing is small enough to include essentially all of the viscous energy dissipation, and the box is large enough to contain the largest eddy in the flow. The method is limited to low-turbulence Reynolds numbers, in our case R sub lambda = 36.6. To complete the calculation using a reasonable amount of computer time with reasonable accuracy, a third-order time-integration scheme was developed which runs at about the same speed as a simple first-order scheme. It obtains this accuracy by saving the velocity field and its first-time derivative at each time step. Fourth-order accurate space-differencing is used.

Estimation of Electron Density profile Using the Propagation Characteristics of Radio Waves by S-520-29 Sounding Rocket

NASA Astrophysics Data System (ADS)

Itaya, K.; Ishisaka, K.; Ashihara, Y.; Abe, T.; Kumamoto, A.; Kurihara, J.

2015-12-01

S-520-29 sounding rocket experiment was carried out at Uchinoura Space Center (USC) at 19:10 JST on 17 August, 2014. The purpose of this sounding rocket experiments is observation of sporadic E layer that appears in the lower ionosphere at near 100km. Three methods were used in order to observe the sporadic E layer. The first method is an optical method that observe the light of metal ion emitted by the resonance scattering in sporadic E layer using the imager. The second method is observation of characteristic of radio wave propagation that the LF/MF band radio waves transmitted from the ground. The third method is measuring the electron density in the vicinity of sounding rocket using the fast Langmuir probe and the impedance probe. We analyze the propagation characteristics of radio wave in sporadic E layer appeared from the results of the second method observation. This rocket was equipped with LF/MF band radio receiver for observe the LF/MF band radio waves in rocket flight. Antenna of LF/MF band radio receiver is composed of three axis loop antenna. LF/MF band radio receiver receives three radio waves of 873kHz (JOGB), 666kHz (JOBK), 60kHz (JJY) from the ground. 873kHz and 60kHz radio waves are transmitting from north side, and 666kHz radio waves are transmitting from the east side to the trajectory of the rocket. In the sounding rocket experiment, LF/MF band radio receiver was working properly. We have completed the observation of radio wave intensity. We analyze the observation results using a Doppler shift calculations by frequency analysis. Radio waves received by the sounding rocket include the influences of Doppler shift by polarization and the direction of rocket spin and the magnetic field of the Earth. So received radio waves that are separate into characteristics waves using frequency analysis. Then we calculate the Doppler shift from the separated data. As a result, 873kHz, 666kHz radio waves are reflected by the ionosphere. 60kHz wave was able to propagate in ionosphere because wavelength of 60kHz was longer than the thickness of the sporadic E layer. In this study, we explain the result of LF/MF band radio receiver observations and the electron density of the ionosphere using frequency analysis by S-520-29 sounding rocket experiment.

Application of Parametrized Post-Newtonian Methods to the Gravitational IS of Satellite Energy Exchange Data

NASA Technical Reports Server (NTRS)

Smalley, Larry L.

1998-01-01

Project Satellite Energy Exchange (SEE) is a free-flying, high altitude satellite that utilizes space to construct a passive, low-temperature, nano-g environment in order to accurately measure the poorly known gravitational constant G plus other gravitational parameters that are difficult to measure in an earth-based laboratory. Eventually data received from SEE must be analyzed using a model of the gravitational interaction including parameters that describe deviations from general relativity and experiment. One model that can be used to fit tile data is the Parametrized post- Newtonian (PPN) approximation of general relativity (GR) which introduces ten parameters which have specified values in (GR). It is the lowest-order, consistent approximation that contains non linear terms. General relativity predicts that the Robertson parameters, gamma (light deflection), and beta (advance of the perihelion), are both 1 in GR. Another eight parameters, alpha(sub k), k=1,2,3 and zeta(sub k), k=1,2,3,4 and Xi are all zero in GR. Non zero values for alpha(sub k) parameters predict preferred frame effects; for zeta(sub k) violations of globally conserved quantities such as mass, momentum and angular momentum; and for Xi a contribution from the Whitehead theory of gravitation, once thought to be equivalent to GR. In addition, there is the possibility that there may be a preferred frame for the universe. If such a frame exists, then all observers must measure the velocity omega of their motion with respect to this universal rest frame. Such a frame is somewhat reminiscent of the concept of the ether which was supposedly the frame in which the velocity of light took the value c predicted by special relativity. The SEE mission can also look for deviations from the r(exp -2) law of Newtonian gravity, adding parameters alpha and lamda for non Newtonian behavior that describe the magnitude and range of the r(exp -2) deviations respectively. The foundations of the GR supposedly agree with Newtonian gravity to first order so that the parameters alpha and lamda are zero in GR. More important, however, GR subsequently depends on this Newtonian approximation to build up the non linear higher-order terms which forms the basis of the PPN frame work.

Automated spike sorting algorithm based on Laplacian eigenmaps and k-means clustering.

PubMed

Chah, E; Hok, V; Della-Chiesa, A; Miller, J J H; O'Mara, S M; Reilly, R B

2011-02-01

This study presents a new automatic spike sorting method based on feature extraction by Laplacian eigenmaps combined with k-means clustering. The performance of the proposed method was compared against previously reported algorithms such as principal component analysis (PCA) and amplitude-based feature extraction. Two types of classifier (namely k-means and classification expectation-maximization) were incorporated within the spike sorting algorithms, in order to find a suitable classifier for the feature sets. Simulated data sets and in-vivo tetrode multichannel recordings were employed to assess the performance of the spike sorting algorithms. The results show that the proposed algorithm yields significantly improved performance with mean sorting accuracy of 73% and sorting error of 10% compared to PCA which combined with k-means had a sorting accuracy of 58% and sorting error of 10%.A correction was made to this article on 22 February 2011. The spacing of the title was amended on the abstract page. No changes were made to the article PDF and the print version was unaffected.

Electric Propulsion Options for 10 kW Class Earth-Space Missions

NASA Technical Reports Server (NTRS)

Patterson, M. J.; Curran, Francis M.

1989-01-01

Five and 10 kW ion and arcjet propulsion system options for a near-term space demonstration experiment were evaluated. Analyses were conducted to determine first-order propulsion system performance and system component mass estimates. Overall mission performance of the electric propulsion systems was quantified in terms of the maximum thrusting time, total impulse, and velocity increment capability available when integrated onto a generic spacecraft under fixed mission model assumptions. Maximum available thrusting times for the ion-propelled spacecraft options, launched on a DELTA 2 6920 vehicle, range from approximately 8,600 hours for a 4-engine 10 kW system to more than 29,600 hours for a single-engine 5 kW system. Maximum total impulse values and maximum delta-v's range from 1.2x10 (exp 7) to 2.1x10 (exp 7) N-s, and 3550 to 6200 m/s, respectively. Maximum available thrusting times for the arcjet propelled spacecraft launched on the DELTA 2 6920 vehicle range from approximately 528 hours for the 6-engine 10 kW hydrazine system to 2328 hours for the single-engine 5 kW system. Maximum total impulse values and maximum delta-v's range from 2.2x10 (exp 6) to 3.6x10 (exp 6) N-s, and approximately 662 to 1072 m/s, respectively.

A review of 3D first-pass, whole-heart, myocardial perfusion cardiovascular magnetic resonance.

PubMed

Fair, Merlin J; Gatehouse, Peter D; DiBella, Edward V R; Firmin, David N

2015-08-01

A comprehensive review is undertaken of the methods available for 3D whole-heart first-pass perfusion (FPP) and their application to date, with particular focus on possible acceleration techniques. Following a summary of the parameters typically desired of 3D FPP methods, the review explains the mechanisms of key acceleration techniques and their potential use in FPP for attaining 3D acquisitions. The mechanisms include rapid sequences, non-Cartesian k-space trajectories, reduced k-space acquisitions, parallel imaging reconstructions and compressed sensing. An attempt is made to explain, rather than simply state, the varying methods with the hope that it will give an appreciation of the different components making up a 3D FPP protocol. Basic estimates demonstrating the required total acceleration factors in typical 3D FPP cases are included, providing context for the extent that each acceleration method can contribute to the required imaging speed, as well as potential limitations in present 3D FPP literature. Although many 3D FPP methods are too early in development for the type of clinical trials required to show any clear benefit over current 2D FPP methods, the review includes the small but growing quantity of clinical research work already using 3D FPP, alongside the more technical work. Broader challenges concerning FPP such as quantitative analysis are not covered, but challenges with particular impact on 3D FPP methods, particularly with regards to motion effects, are discussed along with anticipated future work in the field.

Spin-flop quasi-first order phase transition and putative tricritical point in Gd3Co

NASA Astrophysics Data System (ADS)

Samatham, S. Shanmukharao; Barua, Soumendu; Suresh, K. G.

2017-12-01

Magnetic nature of Gd3Co is investigated using detailed measurements of temperature and field dependent magnetization. The antiferromagnetic phase is field-instable due to prevailing ferromagnetic exchange correlations above Néel temperature TN ∼ 130K . Below TN , with gradually increasing magnetic fields, the compound undergoes a quasi-first order phase transition from AFM to spin-flop over region and eventually acquires ferromagnetic phase in higher fields. Further the point at which the quasi-first order transition ends and second order transition sets in is the tricritical point, TTCP ∼ 125.6K , HTCP ∼ 4.4kOe .

Analysis of genetic population structure in Acacia caven (Leguminosae, Mimosoideae), comparing one exploratory and two Bayesian-model-based methods

PubMed Central

Pometti, Carolina L.; Bessega, Cecilia F.; Saidman, Beatriz O.; Vilardi, Juan C.

2014-01-01

Bayesian clustering as implemented in STRUCTURE or GENELAND software is widely used to form genetic groups of populations or individuals. On the other hand, in order to satisfy the need for less computer-intensive approaches, multivariate analyses are specifically devoted to extracting information from large datasets. In this paper, we report the use of a dataset of AFLP markers belonging to 15 sampling sites of Acacia caven for studying the genetic structure and comparing the consistency of three methods: STRUCTURE, GENELAND and DAPC. Of these methods, DAPC was the fastest one and showed accuracy in inferring the K number of populations (K = 12 using the find.clusters option and K = 15 with a priori information of populations). GENELAND in turn, provides information on the area of membership probabilities for individuals or populations in the space, when coordinates are specified (K = 12). STRUCTURE also inferred the number of K populations and the membership probabilities of individuals based on ancestry, presenting the result K = 11 without prior information of populations and K = 15 using the LOCPRIOR option. Finally, in this work all three methods showed high consistency in estimating the population structure, inferring similar numbers of populations and the membership probabilities of individuals to each group, with a high correlation between each other. PMID:24688293

The Near-infrared Optimal Distances Method Applied to Galactic Classical Cepheids Tightly Constrains Mid-infrared Period–Luminosity Relations

NASA Astrophysics Data System (ADS)

Wang, Shu; Chen, Xiaodian; de Grijs, Richard; Deng, Licai

2018-01-01

Classical Cepheids are well-known and widely used distance indicators. As distance and extinction are usually degenerate, it is important to develop suitable methods to robustly anchor the distance scale. Here, we introduce a near-infrared optimal distance method to determine both the extinction values of and distances to a large sample of 288 Galactic classical Cepheids. The overall uncertainty in the derived distances is less than 4.9%. We compare our newly determined distances to the Cepheids in our sample with previously published distances to the same Cepheids with Hubble Space Telescope parallax measurements and distances based on the IR surface brightness method, Wesenheit functions, and the main-sequence fitting method. The systematic deviations in the distances determined here with respect to those of previous publications is less than 1%–2%. Hence, we constructed Galactic mid-IR period–luminosity (PL) relations for classical Cepheids in the four Wide-Field Infrared Survey Explorer (WISE) bands (W1, W2, W3, and W4) and the four Spitzer Space Telescope bands ([3.6], [4.5], [5.8], and [8.0]). Based on our sample of hundreds of Cepheids, the WISE PL relations have been determined for the first time; their dispersion is approximately 0.10 mag. Using the currently most complete sample, our Spitzer PL relations represent a significant improvement in accuracy, especially in the [3.6] band which has the smallest dispersion (0.066 mag). In addition, the average mid-IR extinction curve for Cepheids has been obtained: {A}W1/{A}{K{{s}}}≈ 0.560, {A}W2/{A}{K{{s}}}≈ 0.479, {A}W3/{A}{K{{s}}}≈ 0.507, {A}W4/{A}{K{{s}}}≈ 0.406, {A}[3.6]/{A}{K{{s}}}≈ 0.481, {A}[4.5]/{A}{K{{s}}}≈ 0.469, {A}[5.8]/{A}{K{{s}}}≈ 0.427, and {A}[8.0]/{A}{K{{s}}}≈ 0.427 {mag}.

Sparse Method for Direction of Arrival Estimation Using Denoised Fourth-Order Cumulants Vector.

PubMed

Fan, Yangyu; Wang, Jianshu; Du, Rui; Lv, Guoyun

2018-06-04

Fourth-order cumulants (FOCs) vector-based direction of arrival (DOA) estimation methods of non-Gaussian sources may suffer from poor performance for limited snapshots or difficulty in setting parameters. In this paper, a novel FOCs vector-based sparse DOA estimation method is proposed. Firstly, by utilizing the concept of a fourth-order difference co-array (FODCA), an advanced FOCs vector denoising or dimension reduction procedure is presented for arbitrary array geometries. Then, a novel single measurement vector (SMV) model is established by the denoised FOCs vector, and efficiently solved by an off-grid sparse Bayesian inference (OGSBI) method. The estimation errors of FOCs are integrated in the SMV model, and are approximately estimated in a simple way. A necessary condition regarding the number of identifiable sources of our method is presented that, in order to uniquely identify all sources, the number of sources K must fulfill K ≤ ( M 4 - 2 M 3 + 7 M 2 - 6 M ) / 8 . The proposed method suits any geometry, does not need prior knowledge of the number of sources, is insensitive to associated parameters, and has maximum identifiability O ( M 4 ) , where M is the number of sensors in the array. Numerical simulations illustrate the superior performance of the proposed method.

Backscattering from a Gaussian distributed, perfectly conducting, rough surface

NASA Technical Reports Server (NTRS)

Brown, G. S.

1977-01-01

The problem of scattering by random surfaces possessing many scales of roughness is analyzed. The approach is applicable to bistatic scattering from dielectric surfaces, however, this specific analysis is restricted to backscattering from a perfectly conducting surface in order to more clearly illustrate the method. The surface is assumed to be Gaussian distributed so that the surface height can be split into large and small scale components, relative to the electromagnetic wavelength. A first order perturbation approach is employed wherein the scattering solution for the large scale structure is perturbed by the small scale diffraction effects. The scattering from the large scale structure is treated via geometrical optics techniques. The effect of the large scale surface structure is shown to be equivalent to a convolution in k-space of the height spectrum with the following: the shadowing function, a polarization and surface slope dependent function, and a Gaussian factor resulting from the unperturbed geometrical optics solution. This solution provides a continuous transition between the near normal incidence geometrical optics and wide angle Bragg scattering results.

The effect on surgical skills of expert surgeons using 3D/HD and 2D/4K resolution monitors in laparoscopic phantom tasks.

PubMed

Harada, Hitoshi; Kanaji, Shingo; Hasegawa, Hiroshi; Yamamoto, Masashi; Matsuda, Yoshiko; Yamashita, Kimihiro; Matsuda, Takeru; Oshikiri, Taro; Sumi, Yasuo; Nakamura, Tetsu; Suzuki, Satoshi; Kakeji, Yoshihiro

2018-03-30

Recently, several new imaging technologies, such as three-dimensional (3D)/high-definition (HD) stereovision and high-resolution two-dimensional (2D)/4K monitors, have been introduced in laparoscopic surgery. However, it is still unclear whether these technologies actually improve surgical performance. Participants were 11 expert laparoscopic surgeons. We designed three laparoscopic suturing tasks (task 1: simple suturing, task 2: knotting thread in a small box, and task 3: suturing in a narrow space) in training boxes. Performances were recorded by an optical position tracker. All participants first performed each task five times consecutively using a conventional 2D/HD monitor. Then they were randomly divided into two groups: six participants performed the tasks using 3D/HD before using 2D/4K; the other five participants performed the tasks using a 2D/4K monitor before the 3D/HD monitor. After the trials, we evaluated the performance scores (operative time, path length of forceps, and technical errors) and compared performance scores across all monitors. Surgical performances of participants were ranked in decreasing order: 3D/HD, 2D/4K, and 2D/HD using the total scores for each task. In task 1 (simple suturing), some surgical performances using 3D/HD were significantly better than those using 2D/4K (P = 0.017, P = 0.033, P = 0.492 for operative time, path length, and technical errors, respectively). On the other hand, with operation in narrow spaces such as in tasks 2 and 3, performances using 2D/4K were not inferior to 3D/HD performances. The high-resolution images from the 2D/4K monitor may enhance depth perception in narrow spaces and may complement stereoscopic vision almost as well as using 3D/HD. Compared to a 2D/HD monitor, a 3D/HD monitor improved the laparoscopic surgical technique of expert surgeons more than a 2D/4K monitor. However, the advantage of 2D/4K high-resolution images may be comparable to a 3D/HD monitor especially in narrow spaces.

Inference in fuzzy rule bases with conflicting evidence

NASA Technical Reports Server (NTRS)

Koczy, Laszlo T.

1992-01-01

Inference based on fuzzy 'If ... then' rules has played a very important role since when Zadeh proposed the Compositional Rule of Inference and, especially, since the first successful application presented by Mamdani. From the mid-1980's when the 'fuzzy boom' started in Japan, numerous industrial applications appeared, all using simplified techniques because of the high levels of computational complexity. Another feature is that antecedents in the rules are distributed densely in the input space, so the conclusion can be calculated by some weighted combination of the consequents of the matching (fired) rules. The CRI works in the following way: If R is a rule and A* is an observation, the conclusion is computed by B* = R o A* (o stands for the max-min composition). Algorithms implementing this idea directly have an exponential time complexity (maybe the problem is NP-hard) as the rules are relations in X x Y, a k1 x k2 dimensional space, if X is k1, Y is k2 dimensional. The simplified techniques usually decompose the relation into k1 projections in X(sub i) and measure in some way the degree of similarity between observation and antecedent by some parameter of the overlapping. These parameters are aggregated to a single value in (0,1) which is applied as a resulting weight for the given rule. The projections of rules in dimensions Y(sub i) are weighted by these aggregated values and then they are combined in order to obtain a resulting conclusion separately in every dimension. This method is unapplicable with sparse bases as there is no guarantee that an arbitrary observation matches with any of the antecedents. Then, the degree of similarity is 0 and all consequents are weighted by 0. Some considerations for such a situation are summarized in the next sections.

Thaumatin crystallization aboard the International Space Station using liquid-liquid diffusion in the Enhanced Gaseous Nitrogen Dewar (EGN).

PubMed

Barnes, Cindy L; Snell, Edward H; Kundrot, Craig E

2002-05-01

This paper reports results from the first biological crystal-growth experiment on the International Space Station (ISS). Crystals of thaumatin were grown using liquid-liquid diffusion in Tygon tubing transported in the Enhanced Gaseous Nitrogen Dewar (EGN). Different volume ratios and concentrations of protein and precipitant were used to test different adaptations of the vapor-diffusion crystallization recipe to the liquid-liquid diffusion method. The EGN warmed up from 77 to 273 K in about 4 d, about the same time it took to warm from 273 to 293 K. The temperature within the EGN was 293-297 K for the majority of the experiment. Air gaps that blocked liquid-liquid diffusion formed in the tubes. Nonetheless, crystals were grown. Synchrotron diffraction data collected from the best space-grown crystal extended to 1.28 A, comparable to previous studies of space-grown thaumatin crystals. The resolution of the best ground-control crystal was only 1.47 A. It is not clear if the difference in diffraction limit arises from factors other than crystal size. Improvements in temperature control and the elimination of air gaps are needed, but the results show that the EGN on the ISS can be used to produce space-grown crystals that diffract to high resolution.

Automatic high-throughput screening of colloidal crystals using machine learning

NASA Astrophysics Data System (ADS)

Spellings, Matthew; Glotzer, Sharon C.

Recent improvements in hardware and software have united to pose an interesting problem for computational scientists studying self-assembly of particles into crystal structures: while studies covering large swathes of parameter space can be dispatched at once using modern supercomputers and parallel architectures, identifying the different regions of a phase diagram is often a serial task completed by hand. While analytic methods exist to distinguish some simple structures, they can be difficult to apply, and automatic identification of more complex structures is still lacking. In this talk we describe one method to create numerical ``fingerprints'' of local order and use them to analyze a study of complex ordered structures. We can use these methods as first steps toward automatic exploration of parameter space and, more broadly, the strategic design of new materials.

Real-Time Reciprocal Space Mapping of Nano-Islands Induced by Quantum Confinement

NASA Astrophysics Data System (ADS)

Hong, Hawoong; Gray, Aaron; Chiang, T.-C.

2011-01-01

The effects of quantum confinement have been observed pronouncedly in the island morphology of Pb thin films. The evolution of these nano-islands on Si (111)-(7 × 7) and sapphire (001) surfaces has been studied with a new X-ray diffraction method. A charge-coupled device (CCD) camera was used to collect two- and three-dimensional (2-D and 3-D, respectively) maps of the surface X-ray diffraction in real time. Large ranges of the reflectivity curves, with rocking curves at every point on the reflectivity curves, could be measured continuously in a relatively short amount of time. The abundance of information from 2-D k-space maps reveals clear changes in the growth modes of these thin Pb films. With the 3-D extension of this method, it was possible to observe the ordering of the islands. The islands maintain a nearly uniform interisland distance but lack any angular correlation. The interisland ordering is correlated well with the development of "magic" island heights caused by quantum confinement.

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

Boroun, G. R., E-mail: grboroun@gmail.com, E-mail: boroun@razi.ac.ir; Zarrin, S.; Dadfar, S.

We evaluate the non-singlet spin-dependent structure function g{sub 1}{sup NS} at leading order (LO) and next-to-leading order (NLO) by using the Laplace-transform technique and method of characteristics and also obtain its first moment at NLO. The polarized non-singlet structure function results are compared with the data from HERMES (A. Airapetian et al., Phys. Rev. D 75, 012007 (2007)) and E143 (K. Abe et al. (E143 Collab.), Phys. Rev. D 58, 112003 (1998)) at LO and NLO analyses and the first-moment the result at NLO is compared with the result of the NLO GRSV2000 fit. Considering the solution, this method ismore » valid at low- and large-x regions.« less

A Runge-Kutta discontinuous finite element method for high speed flows

NASA Technical Reports Server (NTRS)

Bey, Kim S.; Oden, J. T.

1991-01-01

A Runge-Kutta discontinuous finite element method is developed for hyperbolic systems of conservation laws in two space variables. The discontinuous Galerkin spatial approximation to the conservation laws results in a system of ordinary differential equations which are marched in time using Runge-Kutta methods. Numerical results for the two-dimensional Burger's equation show that the method is (p+1)-order accurate in time and space, where p is the degree of the polynomial approximation of the solution within an element and is capable of capturing shocks over a single element without oscillations. Results for this problem also show that the accuracy of the solution in smooth regions is unaffected by the local projection and that the accuracy in smooth regions increases as p increases. Numerical results for the Euler equations show that the method captures shocks without oscillations and with higher resolution than a first-order scheme.

Bounding Extreme Spacecraft Charging in the Lunar Environment

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Parker, Linda N.

2008-01-01

Robotic and manned spacecraft from the Apollo era demonstrated that the lunar surface in daylight will charge to positive potentials of a few tens of volts because the photoelectron current dominates the charging process. In contrast, potentials of the lunar surface in darkness which were predicted to be on the order of a hundred volts negative in the Apollo era have been shown more recently to reach values of a few hundred volts negative with extremes on the order of a few kilovolts. The recent measurements of night time lunar surface potentials are based on electron beams in the Lunar Prospector Electron Reflectometer data sets interpreted as evidence for secondary electrons generated on the lunar surface accelerated through a plasma sheath from a negatively charged lunar surface. The spacecraft potential was not evaluated in these observations and therefore represents a lower limit to the magnitude of the lunar negative surface potential. This paper will describe a method for obtaining bounds on the magnitude of lunar surface potentials from spacecraft measurements in low lunar orbit based on estimates of the spacecraft potential. We first use Nascap-2k surface charging analyses to evaluate potentials of spacecraft in low lunar orbit and then include the potential drops between the ambient space environment and the spacecraft to the potential drop between the lunar surface and the ambient space environment to estimate the lunar surface potential from the satellite measurements.

Electronic interaction in an outer-sphere mixed-valence double salt: a polarized neutron diffraction study of K(3)(MnO(4))(2).

PubMed

Cannon, Roderick D; Jayasooriya, Upali A; Tilford, Claire; Anson, Christopher E; Sowrey, Frank E; Rosseinsky, David R; Stride, John A; Tasset, Francis; Ressouche, Eric; White, Ross P; Ballou, Rafik

2004-11-01

The mixed-valence double salt K(3)(MnO(4))(2) crystallizes in space group P2(1)/m with Z = 2. The manganese centers Mn1 and Mn2 constitute discrete "permanganate", [Mn(VII)O(4)](-), and "manganate", [Mn(VI)O(4)](2-), ions, respectively. There is a spin-ordering transition to an antiferromagnetic state at ca. T = 5 K. The spin-density distribution in the paramagnetic phase at T = 10 K has been determined by polarized neutron diffraction, confirming that unpaired spin is largely confined to the nominal manganate ion Mn2. Through use of both Fourier refinement and maximum entropy methods, the spin on Mn1 is estimated as 1.75 +/- 1% of one unpaired electron with an upper limit of 2.5%.

Test Equal Bending by Gravity for Space and Time

NASA Astrophysics Data System (ADS)

Sweetser, Douglas

2009-05-01

For the simplest problem of gravity - a static, non-rotating, spherically symmetric source - the solution for spacetime bending around the Sun should be evenly split between time and space. That is true to first order in M/R, and confirmed by experiment. At second order, general relativity predicts different amounts of contribution from time and space without a physical justification. I show an exponential metric is consistent with light bending to first order, measurably different at second order. All terms to all orders show equal contributions from space and time. Beautiful minimalism is Nature's way.

Higher order reconstruction for MRI in the presence of spatiotemporal field perturbations.

PubMed

Wilm, Bertram J; Barmet, Christoph; Pavan, Matteo; Pruessmann, Klaas P

2011-06-01

Despite continuous hardware advances, MRI is frequently subject to field perturbations that are of higher than first order in space and thus violate the traditional k-space picture of spatial encoding. Sources of higher order perturbations include eddy currents, concomitant fields, thermal drifts, and imperfections of higher order shim systems. In conventional MRI with Fourier reconstruction, they give rise to geometric distortions, blurring, artifacts, and error in quantitative data. This work describes an alternative approach in which the entire field evolution, including higher order effects, is accounted for by viewing image reconstruction as a generic inverse problem. The relevant field evolutions are measured with a third-order NMR field camera. Algebraic reconstruction is then formulated such as to jointly minimize artifacts and noise in the resulting image. It is solved by an iterative conjugate-gradient algorithm that uses explicit matrix-vector multiplication to accommodate arbitrary net encoding. The feasibility and benefits of this approach are demonstrated by examples of diffusion imaging. In a phantom study, it is shown that higher order reconstruction largely overcomes variable image distortions that diffusion gradients induce in EPI data. In vivo experiments then demonstrate that the resulting geometric consistency permits straightforward tensor analysis without coregistration. Copyright © 2011 Wiley-Liss, Inc.

Raman spectroscopy studies of temperature induced phase transitions in [N(CH3)3H]CdCl3 and DFT (B3LYP) calculations

NASA Astrophysics Data System (ADS)

Kchaou, H.; Karoui, K.; Bulou, A.; Ben Rhaiem, A.

2017-04-01

[N(CH3)3H]CdCl3 between 295 and 433 K possesses four phases. Three phase transition at T1=416 K, T2=373 K and T3=330 K (on heating) and T1=410 K, T2=386 K and T3=322 K (on cooling) was determined by differential scanning calorimetry. Thermal hysteresis of these transitions ΔT1=6 K, ΔT2=13 K and ΔT3=8 K, indicating a first order character. The X-ray diffraction study at room temperature revealed an orthorhombic system with Pbnm space group. The vibrational characteristics have been measured at room temperature by infrared spectroscopy (400-3800 cm-1) and by polarized Raman spectroscopy (10-3800 cm-1) on microcrystals orientated with respect to the organic and inorganic sublattice. The structure of this compound was optimized by density functional theory (DFT) using B3LYP with LanL2DZ and LanL2MB basis sets. The temperature dependence of the Raman line shifts ν and the half-width Δν detect the phase transitions (T1, T2 and T3).

Identifiability and Identification of Trace Continuous Pollutant Source

PubMed Central

Qu, Hongquan; Liu, Shouwen; Pang, Liping; Hu, Tao

2014-01-01

Accidental pollution events often threaten people's health and lives, and a pollutant source is very necessary so that prompt remedial actions can be taken. In this paper, a trace continuous pollutant source identification method is developed to identify a sudden continuous emission pollutant source in an enclosed space. The location probability model is set up firstly, and then the identification method is realized by searching a global optimal objective value of the location probability. In order to discuss the identifiability performance of the presented method, a conception of a synergy degree of velocity fields is presented in order to quantitatively analyze the impact of velocity field on the identification performance. Based on this conception, some simulation cases were conducted. The application conditions of this method are obtained according to the simulation studies. In order to verify the presented method, we designed an experiment and identified an unknown source appearing in the experimental space. The result showed that the method can identify a sudden trace continuous source when the studied situation satisfies the application conditions. PMID:24892041

Mission Specialist (MS) Ride sleeps in airlock

NASA Image and Video Library

1983-06-24

STS007-26-1438 (18-24 June 1983) --- Astronaut Sally K. Ride, mission specialist, was captured at her sleep station in the Space Shuttle Challenger's middeck by a fellow crew member using a 35mm camera. This method of sleep is just one used by the 20 astronauts who have now flown aboard NASA's first two Space Shuttle Orbiters. Some astronauts choose to sleep in various positions with either their feet or upper bodies or both anchored and others elect to use the sleep restraint device demonstrated here by Dr. Ride.

Insights into Regolith Dynamics from the Irradiation Record Preserved in Hayabusa Samples

NASA Technical Reports Server (NTRS)

Keller, Lindsay P.; Berger, E. L.

2014-01-01

The rates of space weathering processes are poorly constrained for asteroid surfaces, with recent estimates ranging over 5 orders of magnitude. The return of the first surface samples from a space-weathered asteroid by the Hayabusa mission and their laboratory analysis provides "ground truth" to anchor the timescales for space weathering. We determine the rates of space weathering on Itokawa by measuring solar flare track densities and the widths of solar wind damaged rims on grains. These measurements are made possible through novel focused ion beam (FIB) sample preparation methods.

Well-balanced high-order centered schemes on unstructured meshes for shallow water equations with fixed and mobile bed

NASA Astrophysics Data System (ADS)

Canestrelli, Alberto; Dumbser, Michael; Siviglia, Annunziato; Toro, Eleuterio F.

2010-03-01

In this paper, we study the numerical approximation of the two-dimensional morphodynamic model governed by the shallow water equations and bed-load transport following a coupled solution strategy. The resulting system of governing equations contains non-conservative products and it is solved simultaneously within each time step. The numerical solution is obtained using a new high-order accurate centered scheme of the finite volume type on unstructured meshes, which is an extension of the one-dimensional PRICE-C scheme recently proposed in Canestrelli et al. (2009) [5]. The resulting first-order accurate centered method is then extended to high order of accuracy in space via a high order WENO reconstruction technique and in time via a local continuous space-time Galerkin predictor method. The scheme is applied to the shallow water equations and the well-balanced properties of the method are investigated. Finally, we apply the new scheme to different test cases with both fixed and movable bed. An attractive future of the proposed method is that it is particularly suitable for engineering applications since it allows practitioners to adopt the most suitable sediment transport formula which better fits the field data.

An iterative kernel based method for fourth order nonlinear equation with nonlinear boundary condition

NASA Astrophysics Data System (ADS)

Azarnavid, Babak; Parand, Kourosh; Abbasbandy, Saeid

2018-06-01

This article discusses an iterative reproducing kernel method with respect to its effectiveness and capability of solving a fourth-order boundary value problem with nonlinear boundary conditions modeling beams on elastic foundations. Since there is no method of obtaining reproducing kernel which satisfies nonlinear boundary conditions, the standard reproducing kernel methods cannot be used directly to solve boundary value problems with nonlinear boundary conditions as there is no knowledge about the existence and uniqueness of the solution. The aim of this paper is, therefore, to construct an iterative method by the use of a combination of reproducing kernel Hilbert space method and a shooting-like technique to solve the mentioned problems. Error estimation for reproducing kernel Hilbert space methods for nonlinear boundary value problems have yet to be discussed in the literature. In this paper, we present error estimation for the reproducing kernel method to solve nonlinear boundary value problems probably for the first time. Some numerical results are given out to demonstrate the applicability of the method.

Exploration of a Capability-Focused Aerospace System of Systems Architecture Alternative with Bilayer Design Space, Based on RST-SOM Algorithmic Methods

PubMed Central

Li, Zhifei; Qin, Dongliang

2014-01-01

In defense related programs, the use of capability-based analysis, design, and acquisition has been significant. In order to confront one of the most challenging features of a huge design space in capability based analysis (CBA), a literature review of design space exploration was first examined. Then, in the process of an aerospace system of systems design space exploration, a bilayer mapping method was put forward, based on the existing experimental and operating data. Finally, the feasibility of the foregoing approach was demonstrated with an illustrative example. With the data mining RST (rough sets theory) and SOM (self-organized mapping) techniques, the alternative to the aerospace system of systems architecture was mapping from P-space (performance space) to C-space (configuration space), and then from C-space to D-space (design space), respectively. Ultimately, the performance space was mapped to the design space, which completed the exploration and preliminary reduction of the entire design space. This method provides a computational analysis and implementation scheme for large-scale simulation. PMID:24790572

Exploration of a capability-focused aerospace system of systems architecture alternative with bilayer design space, based on RST-SOM algorithmic methods.

PubMed

Li, Zhifei; Qin, Dongliang; Yang, Feng

2014-01-01

In defense related programs, the use of capability-based analysis, design, and acquisition has been significant. In order to confront one of the most challenging features of a huge design space in capability based analysis (CBA), a literature review of design space exploration was first examined. Then, in the process of an aerospace system of systems design space exploration, a bilayer mapping method was put forward, based on the existing experimental and operating data. Finally, the feasibility of the foregoing approach was demonstrated with an illustrative example. With the data mining RST (rough sets theory) and SOM (self-organized mapping) techniques, the alternative to the aerospace system of systems architecture was mapping from P-space (performance space) to C-space (configuration space), and then from C-space to D-space (design space), respectively. Ultimately, the performance space was mapped to the design space, which completed the exploration and preliminary reduction of the entire design space. This method provides a computational analysis and implementation scheme for large-scale simulation.

Evaluation of coated columbium alloy heat shields for space shuttle thermal protection system application. Final report. [For us to 2400F

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

Black, W.E.

1977-04-01

A three-phase program to develop and demonstrate the feasibility of a metallic heat shield suitable for use on Space Shuttle Orbiter class vehicles at operating surface temperatures of up to 1590 K (2400 F) is summarized. An orderly progression of configuration studies, material screening tests, and subscale structural tests was performed. Scale-up feasibility was demonstrated in the final phase when a sizable nine-panel array was fabricated and successfully tested. The full-scale tests included cyclic testing at reduced air pressure to 1590 K (2400 F) and up to 158 dB overall sound pressure level. The selected structural configuration and design techniquesmore » succesfully eliminated thermal induced failures. The thermal/structural performance of the system was repeatedly demonstrated. Practical and effective field repair methods for coated columbium alloys were demonstrated. Major uncertainties of accessibility, refurbishability, and durability were eliminated.« less

Evaluation of coated columbium alloy heat shields for space shuttle thermal protection system application

NASA Technical Reports Server (NTRS)

Black, W. E.

1977-01-01

A three-phase program to develop and demonstrate the feasibility of a metallic heat shield suitable for use on Space Shuttle Orbiter class vehicles at operating surface temperatures of up to 1590 K (2400 F) is summarized. An orderly progression of configuration studies, material screening tests, and subscale structural tests was performed. Scale-up feasibility was demonstrated in the final phase when a sizable nine-panel array was fabricated and successfully tested. The full-scale tests included cyclic testing at reduced air pressure to 1590 K (2400 F) and up to 158 dB overall sound pressure level. The selected structural configuration and design techniques succesfully eliminated thermal induced failures. The thermal/structural performance of the system was repeatedly demonstrated. Practical and effective field repair methods for coated columbium alloys were demonstrated. Major uncertainties of accessibility, refurbishability, and durability were eliminated.

High-Order Local Pooling and Encoding Gaussians Over a Dictionary of Gaussians.

PubMed

Li, Peihua; Zeng, Hui; Wang, Qilong; Shiu, Simon C K; Zhang, Lei

2017-07-01

Local pooling (LP) in configuration (feature) space proposed by Boureau et al. explicitly restricts similar features to be aggregated, which can preserve as much discriminative information as possible. At the time it appeared, this method combined with sparse coding achieved competitive classification results with only a small dictionary. However, its performance lags far behind the state-of-the-art results as only the zero-order information is exploited. Inspired by the success of high-order statistical information in existing advanced feature coding or pooling methods, we make an attempt to address the limitation of LP. To this end, we present a novel method called high-order LP (HO-LP) to leverage the information higher than the zero-order one. Our idea is intuitively simple: we compute the first- and second-order statistics per configuration bin and model them as a Gaussian. Accordingly, we employ a collection of Gaussians as visual words to represent the universal probability distribution of features from all classes. Our problem is naturally formulated as encoding Gaussians over a dictionary of Gaussians as visual words. This problem, however, is challenging since the space of Gaussians is not a Euclidean space but forms a Riemannian manifold. We address this challenge by mapping Gaussians into the Euclidean space, which enables us to perform coding with common Euclidean operations rather than complex and often expensive Riemannian operations. Our HO-LP preserves the advantages of the original LP: pooling only similar features and using a small dictionary. Meanwhile, it achieves very promising performance on standard benchmarks, with either conventional, hand-engineered features or deep learning-based features.

A novel 3D Cartesian random sampling strategy for Compressive Sensing Magnetic Resonance Imaging.

PubMed

Valvano, Giuseppe; Martini, Nicola; Santarelli, Maria Filomena; Chiappino, Dante; Landini, Luigi

2015-01-01

In this work we propose a novel acquisition strategy for accelerated 3D Compressive Sensing Magnetic Resonance Imaging (CS-MRI). This strategy is based on a 3D cartesian sampling with random switching of the frequency encoding direction with other K-space directions. Two 3D sampling strategies are presented. In the first strategy, the frequency encoding direction is randomly switched with one of the two phase encoding directions. In the second strategy, the frequency encoding direction is randomly chosen between all the directions of the K-Space. These strategies can lower the coherence of the acquisition, in order to produce reduced aliasing artifacts and to achieve a better image quality after Compressive Sensing (CS) reconstruction. Furthermore, the proposed strategies can reduce the typical smoothing of CS due to the limited sampling of high frequency locations. We demonstrated by means of simulations that the proposed acquisition strategies outperformed the standard Compressive Sensing acquisition. This results in a better quality of the reconstructed images and in a greater achievable acceleration.

Magnetic resonance signal moment determination using the Earth's magnetic field.

PubMed

Fridjonsson, E O; Creber, S A; Vrouwenvelder, J S; Johns, M L

2015-03-01

We demonstrate a method to manipulate magnetic resonance data such that the moments of the signal spatial distribution are readily accessible. Usually, magnetic resonance imaging relies on data acquired in so-called k-space which is subsequently Fourier transformed to render an image. Here, via analysis of the complex signal in the vicinity of the centre of k-space we are able to access the first three moments of the signal spatial distribution, ultimately in multiple directions. This is demonstrated for biofouling of a reverse osmosis (RO) membrane module, rendering unique information and an early warning of the onset of fouling. The analysis is particularly applicable for the use of mobile magnetic resonance spectrometers; here we demonstrate it using an Earth's magnetic field system. Copyright © 2015 Elsevier Inc. All rights reserved.

Increasing Accuracy in Computed Inviscid Boundary Conditions

NASA Technical Reports Server (NTRS)

Dyson, Roger

2004-01-01

A technique has been devised to increase the accuracy of computational simulations of flows of inviscid fluids by increasing the accuracy with which surface boundary conditions are represented. This technique is expected to be especially beneficial for computational aeroacoustics, wherein it enables proper accounting, not only for acoustic waves, but also for vorticity and entropy waves, at surfaces. Heretofore, inviscid nonlinear surface boundary conditions have been limited to third-order accuracy in time for stationary surfaces and to first-order accuracy in time for moving surfaces. For steady-state calculations, it may be possible to achieve higher accuracy in space, but high accuracy in time is needed for efficient simulation of multiscale unsteady flow phenomena. The present technique is the first surface treatment that provides the needed high accuracy through proper accounting of higher-order time derivatives. The present technique is founded on a method known in art as the Hermitian modified solution approximation (MESA) scheme. This is because high time accuracy at a surface depends upon, among other things, correction of the spatial cross-derivatives of flow variables, and many of these cross-derivatives are included explicitly on the computational grid in the MESA scheme. (Alternatively, a related method other than the MESA scheme could be used, as long as the method involves consistent application of the effects of the cross-derivatives.) While the mathematical derivation of the present technique is too lengthy and complex to fit within the space available for this article, the technique itself can be characterized in relatively simple terms: The technique involves correction of surface-normal spatial pressure derivatives at a boundary surface to satisfy the governing equations and the boundary conditions and thereby achieve arbitrarily high orders of time accuracy in special cases. The boundary conditions can now include a potentially infinite number of time derivatives of surface-normal velocity (consistent with no flow through the boundary) up to arbitrarily high order. The corrections for the first-order spatial derivatives of pressure are calculated by use of the first-order time derivative velocity. The corrected first-order spatial derivatives are used to calculate the second- order time derivatives of velocity, which, in turn, are used to calculate the corrections for the second-order pressure derivatives. The process as described is repeated, progressing through increasing orders of derivatives, until the desired accuracy is attained.

Exploiting sparsity and low-rank structure for the recovery of multi-slice breast MRIs with reduced sampling error.

PubMed

Yin, X X; Ng, B W-H; Ramamohanarao, K; Baghai-Wadji, A; Abbott, D

2012-09-01

It has been shown that, magnetic resonance images (MRIs) with sparsity representation in a transformed domain, e.g. spatial finite-differences (FD), or discrete cosine transform (DCT), can be restored from undersampled k-space via applying current compressive sampling theory. The paper presents a model-based method for the restoration of MRIs. The reduced-order model, in which a full-system-response is projected onto a subspace of lower dimensionality, has been used to accelerate image reconstruction by reducing the size of the involved linear system. In this paper, the singular value threshold (SVT) technique is applied as a denoising scheme to reduce and select the model order of the inverse Fourier transform image, and to restore multi-slice breast MRIs that have been compressively sampled in k-space. The restored MRIs with SVT for denoising show reduced sampling errors compared to the direct MRI restoration methods via spatial FD, or DCT. Compressive sampling is a technique for finding sparse solutions to underdetermined linear systems. The sparsity that is implicit in MRIs is to explore the solution to MRI reconstruction after transformation from significantly undersampled k-space. The challenge, however, is that, since some incoherent artifacts result from the random undersampling, noise-like interference is added to the image with sparse representation. These recovery algorithms in the literature are not capable of fully removing the artifacts. It is necessary to introduce a denoising procedure to improve the quality of image recovery. This paper applies a singular value threshold algorithm to reduce the model order of image basis functions, which allows further improvement of the quality of image reconstruction with removal of noise artifacts. The principle of the denoising scheme is to reconstruct the sparse MRI matrices optimally with a lower rank via selecting smaller number of dominant singular values. The singular value threshold algorithm is performed by minimizing the nuclear norm of difference between the sampled image and the recovered image. It has been illustrated that this algorithm improves the ability of previous image reconstruction algorithms to remove noise artifacts while significantly improving the quality of MRI recovery.

Recognition of flow in everyday life using sensor agent robot with laser range finder

NASA Astrophysics Data System (ADS)

Goshima, Misa; Mita, Akira

2011-04-01

In the present paper, we suggest an algorithm for a sensor agent robot with a laser range finder to recognize the flows of residents in the living spaces in order to achieve flow recognition in the living spaces, recognition of the number of people in spaces, and the classification of the flows. House reform is or will be demanded to prolong the lifetime of the home. Adaption for the individuals is needed for our aging society which is growing at a rapid pace. Home autonomous mobile robots will become popular in the future for aged people to assist them in various situations. Therefore we have to collect various type of information of human and living spaces. However, a penetration in personal privacy must be avoided. It is essential to recognize flows in everyday life in order to assist house reforms and aging societies in terms of adaption for the individuals. With background subtraction, extra noise removal, and the clustering based k-means method, we got an average accuracy of more than 90% from the behavior from 1 to 3 persons, and also confirmed the reliability of our system no matter the position of the sensor. Our system can take advantages from autonomous mobile robots and protect the personal privacy. It hints at a generalization of flow recognition methods in the living spaces.

Magnetic, specific heat and electrical transport properties of Frank-Kasper cage compounds RTM2Al20 [R  =  Eu, Gd and La; TM  =  V, Ti

NASA Astrophysics Data System (ADS)

Kumar, K. Ramesh; Nair, Harikrishnan S.; Christian, Reinke; Thamizhavel, A.; Strydom, André M.

2016-11-01

Single crystals of Frank-Kasper compounds RTM2Al20 (R  =  Eu, Gd and La; TM  =  V and Ti) were grown by self-flux method and their physical properties were investigated through magnetization (M), magnetic susceptibility (χ), specific heat (C P) and electrical resistivity (ρ) measurements. Powder x-ray diffraction studies and structural analysis showed that these compounds crystallize in the cubic crystal structure with the space group Fd\\bar{3}m . The magnetic susceptibility for the compounds EuTi2Al20 and GdTi2Al20 showed a sudden jump below the Néel temperature T N indicative of plausible double magnetic transition. Specific heat (C P) and electrical resistivity (ρ) measurements also confirm the first-order magnetic transition (FOMT) and possible double magnetic transitions. Temperature variation of heat capacity showed a sharp phase transition and huge C P value for the (Eu/Gd)Ti2Al20 compounds’ full width at half-maximum (FWHM) (<0.2 K) which is reminiscent of a first-order phase transition and a unique attribute among RTM2Al20 compounds. In contrast, linear variation of C P is observed in the ordered state for (Eu/Gd)V2Al20 compounds suggesting a λ-type transition. We observed clear anomaly between heating and cooling cycle in temperature-time relaxation curve for the compounds GdTi2Al20 (2.38 K) and EuTi2Al20 (3.2 K) which is indicating a thermal arrest due to the latent heat. The temperature variation of S mag for GdTi2Al20 saturates to a value 0.95R\\ln 8 while the other magnetic systems exhibited still lower entropy saturation values in the high temperature limit. ≤ft({{C}\\text{P}}-γ T\\right)/{{T}3} versus T plot showed a maximum near 27 K for all the compounds indicating the presence of low frequency Einstein modes of vibrations. Resistivity measurements showed that all the samples behave as normal Fermi liquid type compounds and ρ (T) due to electron-phonon scattering follows Bloch-Grüneisen-Mott relation in the paramagnetic region.

Magnetic properties and structural transitions of fluorite-related rare earth osmates Ln3OsO7 (Ln=Pr, Tb)

NASA Astrophysics Data System (ADS)

Hinatsu, Yukio; Doi, Yoshihiro

2013-02-01

Ternary rare-earth osmates Ln3OsO7 (Ln=Pr, Tb) have been prepared. They crystallize in an ortho-rhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr3OsO7 exhibits magnetic transitions at 8 and 73 K, and Tb3OsO7 magnetically orders at 8 and 60 K. The Os moments become one-dimensionally ordered, and when the temperature is furthermore decreased, it provokes the ordering in the Ln3+ sublattice that simultaneously becomes three-dimensionally ordered with the Os sublattice.

High-Frequency Subband Compressed Sensing MRI Using Quadruplet Sampling

PubMed Central

Sung, Kyunghyun; Hargreaves, Brian A

2013-01-01

Purpose To presents and validates a new method that formalizes a direct link between k-space and wavelet domains to apply separate undersampling and reconstruction for high- and low-spatial-frequency k-space data. Theory and Methods High- and low-spatial-frequency regions are defined in k-space based on the separation of wavelet subbands, and the conventional compressed sensing (CS) problem is transformed into one of localized k-space estimation. To better exploit wavelet-domain sparsity, CS can be used for high-spatial-frequency regions while parallel imaging can be used for low-spatial-frequency regions. Fourier undersampling is also customized to better accommodate each reconstruction method: random undersampling for CS and regular undersampling for parallel imaging. Results Examples using the proposed method demonstrate successful reconstruction of both low-spatial-frequency content and fine structures in high-resolution 3D breast imaging with a net acceleration of 11 to 12. Conclusion The proposed method improves the reconstruction accuracy of high-spatial-frequency signal content and avoids incoherent artifacts in low-spatial-frequency regions. This new formulation also reduces the reconstruction time due to the smaller problem size. PMID:23280540

First- and Second-Order Sensitivity Analysis of a P-Version Finite Element Equation Via Automatic Differentiation

NASA Technical Reports Server (NTRS)

Hou, Gene

1998-01-01

Sensitivity analysis is a technique for determining derivatives of system responses with respect to design parameters. Among many methods available for sensitivity analysis, automatic differentiation has been proven through many applications in fluid dynamics and structural mechanics to be an accurate and easy method for obtaining derivatives. Nevertheless, the method can be computational expensive and can require a high memory space. This project will apply an automatic differentiation tool, ADIFOR, to a p-version finite element code to obtain first- and second- order then-nal derivatives, respectively. The focus of the study is on the implementation process and the performance of the ADIFOR-enhanced codes for sensitivity analysis in terms of memory requirement, computational efficiency, and accuracy.

A Gas Dynamics Method Based on The Spectral Deferred Corrections (SDC) Time Integration Technique and The Piecewise Parabolic Method (PPM)

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

Samet Y. Kadioglu

2011-12-01

We present a computational gas dynamics method based on the Spectral Deferred Corrections (SDC) time integration technique and the Piecewise Parabolic Method (PPM) finite volume method. The PPM framework is used to define edge averaged quantities which are then used to evaluate numerical flux functions. The SDC technique is used to integrate solution in time. This kind of approach was first taken by Anita et al in [17]. However, [17] is problematic when it is implemented to certain shock problems. Here we propose significant improvements to [17]. The method is fourth order (both in space and time) for smooth flows,more » and provides highly resolved discontinuous solutions. We tested the method by solving variety of problems. Results indicate that the fourth order of accuracy in both space and time has been achieved when the flow is smooth. Results also demonstrate the shock capturing ability of the method.« less

Non-linear quantization error reduction for the temperature measurement subsystem on-board LISA Pathfinder

NASA Astrophysics Data System (ADS)

Sanjuan, J.; Nofrarias, M.

2018-04-01

Laser Interferometer Space Antenna (LISA) Pathfinder is a mission to test the technology enabling gravitational wave detection in space and to demonstrate that sub-femto-g free fall levels are possible. To do so, the distance between two free falling test masses is measured to unprecedented sensitivity by means of laser interferometry. Temperature fluctuations are one of the noise sources limiting the free fall accuracy and the interferometer performance and need to be known at the ˜10 μK Hz-1/2 level in the sub-millihertz frequency range in order to validate the noise models for the future space-based gravitational wave detector LISA. The temperature measurement subsystem on LISA Pathfinder is in charge of monitoring the thermal environment at key locations with noise levels of 7.5 μK Hz-1/2 at the sub-millihertz. However, its performance worsens by one to two orders of magnitude when slowly changing temperatures are measured due to errors introduced by analog-to-digital converter non-linearities. In this paper, we present a method to reduce this effect by data post-processing. The method is applied to experimental data available from on-ground validation tests to demonstrate its performance and the potential benefit for in-flight data. The analog-to-digital converter effects are reduced by a factor between three and six in the frequencies where the errors play an important role. An average 2.7 fold noise reduction is demonstrated in the 0.3 mHz-2 mHz band.

Non-linear quantization error reduction for the temperature measurement subsystem on-board LISA Pathfinder.

PubMed

Sanjuan, J; Nofrarias, M

2018-04-01

Laser Interferometer Space Antenna (LISA) Pathfinder is a mission to test the technology enabling gravitational wave detection in space and to demonstrate that sub-femto-g free fall levels are possible. To do so, the distance between two free falling test masses is measured to unprecedented sensitivity by means of laser interferometry. Temperature fluctuations are one of the noise sources limiting the free fall accuracy and the interferometer performance and need to be known at the ∼10 μK Hz -1/2 level in the sub-millihertz frequency range in order to validate the noise models for the future space-based gravitational wave detector LISA. The temperature measurement subsystem on LISA Pathfinder is in charge of monitoring the thermal environment at key locations with noise levels of 7.5 μK Hz -1/2 at the sub-millihertz. However, its performance worsens by one to two orders of magnitude when slowly changing temperatures are measured due to errors introduced by analog-to-digital converter non-linearities. In this paper, we present a method to reduce this effect by data post-processing. The method is applied to experimental data available from on-ground validation tests to demonstrate its performance and the potential benefit for in-flight data. The analog-to-digital converter effects are reduced by a factor between three and six in the frequencies where the errors play an important role. An average 2.7 fold noise reduction is demonstrated in the 0.3 mHz-2 mHz band.

Enhanced Nonlinear Optical Devices Using Artificial Slow-Light Structures

DTIC Science & Technology

2010-08-19

through a slit of about 2 mm width. Lock -in detection is performed by modulating the 86 MHz pulse train at 2 kHz, and average incident power is 75 mW...condition [8]: knωt = nk ω t +mK, (5) where n is the harmonic order, K is a reciprocal lattice vector with |K| = 2π/Λ, Λ is the aperture spacing, m is the...diffraction order, and kt represents a transverse light wave- vector . For a square lattice, and assuming that the optical wavevectors have only the x̂

Teaching the Teachers: Physical Science for the Non-Scientific

NASA Astrophysics Data System (ADS)

Michels, D. J.; Pickert, S. M.; Montrose, C. J.; Thompson, J. L.

2004-12-01

The Catholic University of America, in collaboration with the Solar Physics Branch of the Naval Research Laboratory and the Goddard Space Flight Center, has begun development of an experimental, inquiry-driven and standards-referenced physical science course for undergraduate, pre-service K-8 teachers. The course is team-taught by faculty from the University's Departments of Education and Physics and NRL solar physics research personnel. Basic physical science concepts are taught in the context of the Sun and Sun-Earth Connections, through direct observation, web-based solar data, and images and movies from ongoing space missions. The Sun can illuminate, in ways that cannot be duplicated with comparable clarity in the laboratory, the basics of magnetic and gravitational force fields, Newton's Laws, and light and optics. The immediacy of the connection to ongoing space research and live mission data serves as well to inspire student interest and curiosity. Teaching objectives include pedagogical methods, especially hands-on and observational experiences appropriate to the physics content and the K-8 classroom. The CUA Program, called TOPS! (Top Teachers of Physical Science!) has completed its first year of classroom experience; the first few batches of Program graduates should be in K-8 classrooms in time to capitalize on the motivational opportunities offered by the 2007-2008 IHY and IPY. We present data on the attitudinal and scientific progress of fifteen pre-service Early Childhood and Elementary Education majors as they experienced, many for the first time, the marvels of attractive and repulsive forces, live observations of solar system dynamics, access to real-time satellite data and NASA educational resources.

Asymptotic symmetries and geometry on the boundary in the first order formalism

NASA Astrophysics Data System (ADS)

Korovin, Yegor

2018-03-01

Proper understanding of the geometry on the boundary of a spacetime is a critical step on the way to extending holography to spaces with non-AdS asymptotics. In general the boundary cannot be described in terms of the Riemannian geometry and the first order formalism is more appropriate as we show. We analyze the asymptotic symmetries in the first order formalism for large classes of theories on AdS, Lifshitz or flat space. In all cases the asymptotic symmetry algebra is realized on the first order variables as a gauged symmetry algebra. First order formalism geometrizes and simplifies the analysis. We apply our framework to the issue of scale versus conformal invariance in AdS/CFT and obtain new perspective on the structure of asymptotic expansions for AdS and flat spaces.

Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI 3

DOE PAGES

McGuire, Michael A.; Dixit, Hemant; Cooper, Valentino R.; ...

2014-12-23

Here, we examine the crystallographic and magnetic properties of single crystals of CrI 3, an easily cleavable, layered and insulating ferromagnet with a Curie temperature of 61 K. Our X-ray diffraction studies reveal a first-order crystallographic phase transition occurring near 210–220 K upon warming, with significant thermal hysteresis. The low-temperature structure is rhombohedral (Rmore » $$\\bar{3}$$, BiI 3-type) and the high-temperature structure is monoclinic (C2/m, AlCl 3-type). Evidence for coupling between the crystallographic and magnetic degrees of freedom in CrI 3 was found; we observed an anomaly in the interlayer spacing at the Curie temperature and an anomaly in the magnetic susceptibility at the structural transition. First-principles calculations reveal the importance of proper treatment of the long-ranged interlayer forces, and van der Waals density functional theory does an excellent job of predicting the crystal structures and their relative stability. Our calculations suggest that the ferromagnetic order found in the bulk material may persist into monolayer form, suggesting that CrI 3 and other chromium trihalides may be promising materials for spintronic and magnetoelectronic research.« less

k-Cosymplectic Classical Field Theories: Tulczyjew and Skinner-Rusk Formulations

NASA Astrophysics Data System (ADS)

Rey, Angel M.; Román-Roy, Narciso; Salgado, Modesto; Vilariño, Silvia

2012-06-01

The k-cosymplectic Lagrangian and Hamiltonian formalisms of first-order classical field theories are reviewed and completed. In particular, they are stated for singular and almost-regular systems. Subsequently, several alternative formulations for k-cosymplectic first-order field theories are developed: First, generalizing the construction of Tulczyjew for mechanics, we give a new interpretation of the classical field equations. Second, the Lagrangian and Hamiltonian formalisms are unified by giving an extension of the Skinner-Rusk formulation on classical mechanics.

New tetragonal derivatives of cubic NaZn13-type structure: RNi6Si6 compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd-Yb)

NASA Astrophysics Data System (ADS)

Pani, M.; Manfrinetti, P.; Provino, A.; Yuan, Fang; Mozharivskyj, Y.; Morozkin, A. V.; Knotko, A. V.; Garshev, A. V.; Yapaskurt, V. O.; Isnard, O.

2014-02-01

Novel RNi6Si6 compounds adopt the new CeNi6Si6-type structure for R=La-Ce (tP52, space group P4/nbm N 125-1) and new YNi6Si6-type structure for R=Y, Sm, Gd-Yb (tP52, space group P4barb2N 117) that are tetragonal derivative of NaZn13-type structure, like LaCo9Si4-type. The CeNi6Si6, GdNi6Si6, TbNi6Si6, DyNi6Si6 and HoNi6Si6 compounds are Curie-Weiss paramagnets down to ~30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi6Si6 does not follow Curie-Weiss law. The DyNi6Si6 shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μB/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi6Si6 with K=[±1/4, ±1/4, 0] wave vector below ~10 K. The CeNi6Si6, GdNi6Si6, TbNi6Si6, DyNi6Si6 and HoNi6Si6 compounds are Curie-Weiss paramagnets down to ~30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi6Si6 with K=[±1/4, ±1/4, 0] wave vector below ~10 K.

Pyrolysis and kinetic analyses of Camel grass (Cymbopogon schoenanthus) for bioenergy.

PubMed

Mehmood, Muhammad Aamer; Ye, Guangbin; Luo, Huibo; Liu, Chenguang; Malik, Sana; Afzal, Ifrah; Xu, Jianren; Ahmad, Muhammad Sajjad

2017-03-01

The aim of this work was to study the thermal degradation of grass (Cymbopogon schoenanthus) under an inert environment at three heating rates, including 10, 30, and 50°Cmin -1 in order to evaluate its bioenergy potential. Pyrolysis experiments were performed in a simultaneous Thermogravimetry-Differential Scanning Calorimetry analyzer. Thermal data were used to analyze kinetic parameters through isoconversional models of Flynn-Wall-Ozawa (FWO) and Kissenger-Akahira-Sunose (KSA) methods. The pre-exponential factors values have shown the reaction to follow first order kinetics. Activation energy values were shown to be 84-193 and 96-192kJmol -1 as calculated by KSA and FWO methods, respectively. Differences between activation energy and enthalpy of reaction values (∼5 to 6kJmol -1 ) showed product formation is favorable. The Gibb's free energy (173-177kJmol -1 ) and High Heating Value (15.00MJkg -1 ) have shown the considerable bioenergy potential of this low-cost biomass. Copyright © 2016 Elsevier Ltd. All rights reserved.

High-order space-time finite element schemes for acoustic and viscodynamic wave equations with temporal decoupling.

PubMed

Banks, H T; Birch, Malcolm J; Brewin, Mark P; Greenwald, Stephen E; Hu, Shuhua; Kenz, Zackary R; Kruse, Carola; Maischak, Matthias; Shaw, Simon; Whiteman, John R

2014-04-13

We revisit a method originally introduced by Werder et al. (in Comput. Methods Appl. Mech. Engrg., 190:6685-6708, 2001) for temporally discontinuous Galerkin FEMs applied to a parabolic partial differential equation. In that approach, block systems arise because of the coupling of the spatial systems through inner products of the temporal basis functions. If the spatial finite element space is of dimension D and polynomials of degree r are used in time, the block system has dimension ( r + 1) D and is usually regarded as being too large when r > 1. Werder et al. found that the space-time coupling matrices are diagonalizable over [Formula: see text] for r ⩽ 100, and this means that the time-coupled computations within a time step can actually be decoupled. By using either continuous Galerkin or spectral element methods in space, we apply this DG-in-time methodology, for the first time, to second-order wave equations including elastodynamics with and without Kelvin-Voigt and Maxwell-Zener viscoelasticity. An example set of numerical results is given to demonstrate the favourable effect on error and computational work of the moderately high-order (up to degree 7) temporal and spatio-temporal approximations, and we also touch on an application of this method to an ambitious problem related to the diagnosis of coronary artery disease. Copyright © 2014 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons Ltd.

High-order space-time finite element schemes for acoustic and viscodynamic wave equations with temporal decoupling

PubMed Central

Banks, H T; Birch, Malcolm J; Brewin, Mark P; Greenwald, Stephen E; Hu, Shuhua; Kenz, Zackary R; Kruse, Carola; Maischak, Matthias; Shaw, Simon; Whiteman, John R

2014-01-01

We revisit a method originally introduced by Werder et al. (in Comput. Methods Appl. Mech. Engrg., 190:6685–6708, 2001) for temporally discontinuous Galerkin FEMs applied to a parabolic partial differential equation. In that approach, block systems arise because of the coupling of the spatial systems through inner products of the temporal basis functions. If the spatial finite element space is of dimension D and polynomials of degree r are used in time, the block system has dimension (r + 1)D and is usually regarded as being too large when r > 1. Werder et al. found that the space-time coupling matrices are diagonalizable over for r ⩽100, and this means that the time-coupled computations within a time step can actually be decoupled. By using either continuous Galerkin or spectral element methods in space, we apply this DG-in-time methodology, for the first time, to second-order wave equations including elastodynamics with and without Kelvin–Voigt and Maxwell–Zener viscoelasticity. An example set of numerical results is given to demonstrate the favourable effect on error and computational work of the moderately high-order (up to degree 7) temporal and spatio-temporal approximations, and we also touch on an application of this method to an ambitious problem related to the diagnosis of coronary artery disease. Copyright © 2014 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons Ltd. PMID:25834284

High-order polygonal discontinuous Petrov-Galerkin (PolyDPG) methods using ultraweak formulations

NASA Astrophysics Data System (ADS)

Vaziri Astaneh, Ali; Fuentes, Federico; Mora, Jaime; Demkowicz, Leszek

2018-04-01

This work represents the first endeavor in using ultraweak formulations to implement high-order polygonal finite element methods via the discontinuous Petrov-Galerkin (DPG) methodology. Ultraweak variational formulations are nonstandard in that all the weight of the derivatives lies in the test space, while most of the trial space can be chosen as copies of $L^2$-discretizations that have no need to be continuous across adjacent elements. Additionally, the test spaces are broken along the mesh interfaces. This allows one to construct conforming polygonal finite element methods, termed here as PolyDPG methods, by defining most spaces by restriction of a bounding triangle or box to the polygonal element. The only variables that require nontrivial compatibility across elements are the so-called interface or skeleton variables, which can be defined directly on the element boundaries. Unlike other high-order polygonal methods, PolyDPG methods do not require ad hoc stabilization terms thanks to the crafted stability of the DPG methodology. A proof of convergence of the form $h^p$ is provided and corroborated through several illustrative numerical examples. These include polygonal meshes with $n$-sided convex elements and with highly distorted concave elements, as well as the modeling of discontinuous material properties along an arbitrary interface that cuts a uniform grid. Since PolyDPG methods have a natural a posteriori error estimator a polygonal adaptive strategy is developed and compared to standard adaptivity schemes based on constrained hanging nodes. This work is also accompanied by an open-source $\\texttt{PolyDPG}$ software supporting polygonal and conventional elements.

Analysis of a boron-carbide-drum-controlled critical reactor experiment

NASA Technical Reports Server (NTRS)

Mayo, W. T.

1972-01-01

In order to validate methods and cross sections used in the neutronic design of compact fast-spectrum reactors for generating electric power in space, an analysis of a boron-carbide-drum-controlled critical reactor was made. For this reactor the transport analysis gave generally satisfactory results. The calculated multiplication factor for the most detailed calculation was only 0.7-percent Delta k too high. Calculated reactivity worth of the control drums was $11.61 compared to measurements of $11.58 by the inverse kinetics methods and $11.98 by the inverse counting method. Calculated radial and axial power distributions were in good agreement with experiment.

Clinical outcomes for patients finished with the SureSmile™ method compared with conventional fixed orthodontic therapy

PubMed Central

Alford, Timothy J.; Roberts, W. Eugene; Hartsfield, James K.; Eckert, George J.; Snyder, Ronald J.

2016-01-01

Objective Utilize American Board of Orthodontics (ABO) cast/radiographic evaluation (CRE) to compare a series of 63 consecutive patients, finished with manual wire bending (conventional) treatment, vs a subsequent series of 69 consecutive patients, finished by the same orthodontist using the SureSmile™ (SS) method. Materials and Methods Records of 132 nonextraction patients were scored by a calibrated examiner blinded to treatment mode. Age and discrepancy index (DI) between groups were compared by t-tests. A chi-square test was used to compare for differences in sex and whether the patient was treated using braces only (no orthopedic correction). Analysis of covariance tested for differences in CRE outcomes and treatment times, with sex and DI included as covariates. A logarithmic transformation of CRE outcomes and treatment times was used because their distributions were skewed. Significance was defined as P < .05. Results Compared with conventional finishing, SS patients had significantly lower DI scores, less treatment time (~7 months), and better CRE scores for first-order alignment-rotation and interproximal space closure; however, second-order root angulation (RA) was inferior. Conclusion SS patients were treated in less time to better CRE scores for first-order rotation (AR) and interproximal space closure (IC) but on the average, malocclusions were less complex and second order root alignment was inferior, compared with patients finished with manual wire bending. PMID:21261488

Refractory metal alloys and composites for space nuclear power systems

NASA Technical Reports Server (NTRS)

Titran, Robert H.; Stephens, Joseph R.; Petrasek, Donald W.

1988-01-01

Space power requirements for future NASA and other U.S. missions will range from a few kilowatts to megawatts of electricity. Maximum efficiency is a key goal of any power system in order to minimize weight and size so that the Space Shuttle may be used a minimum number of times to put the power supply into orbit. Nuclear power has been identified as the primary power source to meet these high levels of electrical demand. One method to achieve maximum efficiency is to operate the power supply, energy conservation system, and related components at relatively high temperatures. For systems now in the planning stages, design temperatures range from 1300 K for the immediate future to as high as 1700 K for the advanced systems. NASA Lewis Research Center has undertaken a research program on advanced technology of refractory metal alloys and composites that will provide baseline information for space power systems in the 1900's and the 21st century. Special emphasis is focused on the refractory metal alloys of niobium and on the refractory metal composites which utilize tungsten alloy wires for reinforcement. Basic research on the creep and creep-rupture properties of wires, matrices, and composites are discussed.

The 1988 overview of free-piston Stirling technology for space power at the NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Slaby, Jack G.

1988-01-01

The completion of the Space Power Demonstrator Engine (SPDE) testing is discussed, terminating with the generation of 25 kW of engine power from a dynamically-balanced opposed-piston Stirling engine at a temperature ratio of 2.0. Engine efficiency was greater than 22 percent. The SPDE recently was divided into 2 separate single cylinder engines, Space Power Research Engine (SPRE), that serves as test beds for the evaluation of key technology disciplines, which include hydrodynamic gas bearings, high efficiency linear alternators, space qualified heat pipe heat exchangers, oscillating flow code validation, and engine loss understanding. The success of the SPDE at 650 K has resulted in a more ambitious Stirling endeavor, the design, fabrication, test, and evaluation of a designed-for-space 25 kW per cylinder Stirling Space Engine (SSE) to operate at a hot metal temperature of 1050 K using superalloy materials. This design is a low temperature confirmation of the 1300 K design. It is the 1300 K free-piston Stirling power conversion system that is the ultimate goal. The first two phases of this program, the 650 K SPDE and the 1050 K SSE are emphasized.

A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states

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

Yost, Shane R.; Kowalczyk, Tim; Van Voorhis, Troy, E-mail: tvan@mit.edu

2013-11-07

In this article we propose the ΔSCF(2) framework, a multireference strategy based on second-order perturbation theory, for ground and excited electronic states. Unlike the complete active space family of methods, ΔSCF(2) employs a set of self-consistent Hartree-Fock determinants, also known as ΔSCF states. Each ΔSCF electronic state is modified by a first-order correction from Møller-Plesset perturbation theory and used to construct a Hamiltonian in a configuration interactions like framework. We present formulas for the resulting matrix elements between nonorthogonal states that scale as N{sub occ}{sup 2}N{sub virt}{sup 3}. Unlike most active space methods, ΔSCF(2) treats the ground and excited statemore » determinants even-handedly. We apply ΔSCF(2) to the H{sub 2}, hydrogen fluoride, and H{sub 4} systems and show that the method provides accurate descriptions of ground- and excited-state potential energy surfaces with no single active space containing more than 10 ΔSCF states.« less

General point dipole theory for periodic metasurfaces: magnetoelectric scattering lattices coupled to planar photonic structures.

PubMed

Chen, Yuntian; Zhang, Yan; Femius Koenderink, A

2017-09-04

We study semi-analytically the light emission and absorption properties of arbitrary stratified photonic structures with embedded two-dimensional magnetoelectric point scattering lattices, as used in recent plasmon-enhanced LEDs and solar cells. By employing dyadic Green's function for the layered structure in combination with the Ewald lattice summation to deal with the particle lattice, we develop an efficient method to study the coupling between planar 2D scattering lattices of plasmonic, or metamaterial point particles, coupled to layered structures. Using the 'array scanning method' we deal with localized sources. Firstly, we apply our method to light emission enhancement of dipole emitters in slab waveguides, mediated by plasmonic lattices. We benchmark the array scanning method against a reciprocity-based approach to find that the calculated radiative rate enhancement in k-space below the light cone shows excellent agreement. Secondly, we apply our method to study absorption-enhancement in thin-film solar cells mediated by periodic Ag nanoparticle arrays. Lastly, we study the emission distribution in k-space of a coupled waveguide-lattice system. In particular, we explore the dark mode excitation on the plasmonic lattice using the so-called array scanning method. Our method could be useful for simulating a broad range of complex nanophotonic structures, i.e., metasurfaces, plasmon-enhanced light emitting systems and photovoltaics.

1987 overview of free-piston Stirling technology for space power application

NASA Technical Reports Server (NTRS)

Slaby, Jack G.; Alger, Donald L.

1987-01-01

The Lewis Research Center program concerned with the development of a free-piston Stirling engine for space-power applications is examined. The system mass of a Stirling system is compared to that of a Brayton system for the same peak temperature and output power; the advantages of the Stirling system are discussed. The predicted and experimental performances of the 25 kWe opposed-piston space power demonstrator engine are evaluated. It is determined that in order to enhance performance the regenerator needs to be modified, and the gas bearing flow between the displacer and power piston needs to be isolated in order to increase the operating stroke. Identification and correction of the energy losses, the design and operation of the linear alternator, and heat exchange concepts are considered. The design parameters and conceptual design characteristics for a 25 kWe single-cylinder free-piston Stirling space-power converter are described.

Raman scattering of IrTe2

NASA Astrophysics Data System (ADS)

Lee, Alexander; Thorsmolle, Verner; Artyukhin, Sergey; Yang, Jun; Cheong, Sang-Wook; Blumberg, Girsh

2014-03-01

IrTe2 presents a layered compound with a triangular lattice. It is known to exhibit a first order structural phase transition at approximately 260 K which is of a first order, corresponding to a formation of a superstructure with a period of five unit cells. Using polarized Raman spectroscopy we have studied the temperature dependence of 14 observed Raman allowed phononic modes. These phonons couple strongly to this transition and one additional first order transition at approximately 170 K. In the high-temperature phase only 3 modes are observed, while below approximately 280 K all 14 modes become visible. Below approximately 170 K only 11 modes are observed. Our results shed light on the possible mechanism driving the transitions. ACL, VKT and GB acknowledge support by NSF DMR-1104884.

Categorizing document by fuzzy C-Means and K-nearest neighbors approach

NASA Astrophysics Data System (ADS)

Priandini, Novita; Zaman, Badrus; Purwanti, Endah

2017-08-01

Increasing of technology had made categorizing documents become important. It caused by increasing of number of documents itself. Managing some documents by categorizing is one of Information Retrieval application, because it involve text mining on its process. Whereas, categorization technique could be done both Fuzzy C-Means (FCM) and K-Nearest Neighbors (KNN) method. This experiment would consolidate both methods. The aim of the experiment is increasing performance of document categorize. First, FCM is in order to clustering training documents. Second, KNN is in order to categorize testing document until the output of categorization is shown. Result of the experiment is 14 testing documents retrieve relevantly to its category. Meanwhile 6 of 20 testing documents retrieve irrelevant to its category. Result of system evaluation shows that both precision and recall are 0,7.

Uranium phase diagram from first principles

NASA Astrophysics Data System (ADS)

Yanilkin, Alexey; Kruglov, Ivan; Migdal, Kirill; Oganov, Artem; Pokatashkin, Pavel; Sergeev, Oleg

2017-06-01

The work is devoted to the investigation of uranium phase diagram up to pressure of 1 TPa and temperature of 15 kK based on density functional theory. First of all the comparison of pseudopotential and full potential calculations is carried out for different uranium phases. In the second step, phase diagram at zero temperature is investigated by means of program USPEX and pseudopotential calculations. Stable and metastable structures with close energies are selected. In order to obtain phase diagram at finite temperatures the preliminary selection of stable phases is made by free energy calculation based on small displacement method. For remaining candidates the accurate values of free energy are obtained by means of thermodynamic integration method (TIM). For this purpose quantum molecular dynamics are carried out at different volumes and temperatures. Interatomic potentials based machine learning are developed in order to consider large systems and long times for TIM. The potentials reproduce the free energy with the accuracy 1-5 meV/atom, which is sufficient for prediction of phase transitions. The equilibrium curves of different phases are obtained based on free energies. Melting curve is calculated by modified Z-method with developed potential.

Molecular ordering and molecular dynamics in isotactic-polypropylene characterized by solid state NMR.

PubMed

Miyoshi, Toshikazu; Mamun, Al; Hu, Wei

2010-01-14

The order-disorder phenomenon of local packing structures, space heterogeneity, and molecular dynamics and average lamellar thickness, , of the alpha form of isotactic polypropylene (iPP) crystallized at various supercooling temperatures, DeltaT, are investigated by solid-state (SS) NMR and SAXS, respectively. increases with lowering DeltaT, and extrapolations of (-1) versus averaged melting point, , gives an equilibrium melting temperature, T(m)(0) = 457 +/- 4 K. High-power TPPM decoupling with a field strength of 110 kHz extremely improves (13)C high-resolution SS-NMR spectral resolution of the ordered crystalline signals at various DeltaT. A high-resolution (13)C SS-NMR spectrum combined with a conventional spin-lattice relaxation time in the rotating frame (T(1rhoH)) filter easily accesses an order-disorder phenomenon for upward and downward orientations of stems and their packing in the crystalline region. It is found that ordered packing fraction, f(order), increases with lowering DeltaT and reaches a maximum value of 62% at DeltaT = 34 K. The ordering phenomenon of stem packing indicates that chain-folding direction changes from random in the disordered packing to order in the ordered packing along the a sin theta axis under a hypothesis of adjacent re-entry structures. It is also found that f(order) significantly increases prior to enhancement of lamellar thickness. Additionally, annealing experiments indicate that is significantly enhanced after a simultaneous process of partial melting and recrystallization/reorganization into the ordered packing at annealing temperature >/=423 K. Furthermore, the center-bands only detection of exchange (CODEX) NMR method demonstrates that time-kinetic parameters of helical jump motions are highly influenced by DeltaT. These dynamic constraints are interpreted in terms of increment of and packing ordering. Through these new results related to molecular structures and dynamics, roles of polymer chain trajectory and molecular dynamics for the lamellar thickening process are discussed.

Small-angle neutron scattering study of magnetic ordering and inhomogeneity across the martensitic phase transformation in Ni 50–xCo xMn₄₀Sn₁₀ alloys

DOE PAGES

Bhatti, Kanwal Preet; El-Khatib, S.; Srivastava, Vijay; ...

2012-04-27

The Heusler-derived multiferroic alloy Ni 50–xCo xMn₄₀Sn₁₀ has recently been shown to exhibit, at just above room temperature, a highly reversible martensitic phase transformation with an unusually large magnetization change. In this work the nature of the magnetic ordering above and below this transformation has been studied in detail in the critical composition range x = 6–8 via temperature-dependent (5–600 K) magnetometry and small-angle neutron scattering (SANS). We observe fairly typical paramagnetic to long-range-ordered ferromagnetic phase transitions on cooling to 420–430 K, with the expected critical spin fluctuations, followed by first-order martensitic phase transformations to a nonferromagnetic state below 360–390more » K. The static magnetization reveals complex magnetism in this low-temperature nonferromagnetic phase, including a Langevin-like field dependence, distinct spin freezing near 60 K, and significant exchange bias effects, consistent with superparamagnetic blocking of ferromagnetic clusters of nanoscopic dimensions. We demonstrate that these spin clusters, whose existence has been hypothesized in a variety of martensitic alloys exhibiting competition between ferromagnetic and antiferromagnetic exchange interactions, can be directly observed by SANS. The scattering data are consistent with a liquidlike spatial distribution of interacting magnetic clusters with a mean center-to-center spacing of 12 nm. Considering the behavior of the superparmagnetism, cooling-field and temperature-dependent exchange bias, and magnetic SANS, we discuss in detail the physical form and origin of these spin clusters, their intercluster interactions, the nature of the ground-state magnetic ordering in the martensitic phase, and the implications for our understanding of such alloy systems.« less

Evolutionary growth for Space Station Freedom electrical power system

NASA Technical Reports Server (NTRS)

Marshall, Matthew Fisk; Mclallin, Kerry; Zernic, Mike

1989-01-01

Over an operational lifetime of at least 30 yr, Space Station Freedom will encounter increased Space Station user requirements and advancing technologies. The Space Station electrical power system is designed with the flexibility to accommodate these emerging technologies and expert systems and is being designed with the necessary software hooks and hardware scars to accommodate increased growth demand. The electrical power system is planned to grow from the initial 75 kW up to 300 kW. The Phase 1 station will utilize photovoltaic arrays to produce the electrical power; however, for growth to 300 kW, solar dynamic power modules will be utilized. Pairs of 25 kW solar dynamic power modules will be added to the station to reach the power growth level. The addition of solar dynamic power in the growth phase places constraints in the initial Space Station systems such as guidance, navigation, and control, external thermal, truss structural stiffness, computational capabilities and storage, which must be planned-in, in order to facilitate the addition of the solar dynamic modules.

Dynamic Compression Experiments on Hydrogen and Deuterium in the Warm Dense Liquid.

NASA Astrophysics Data System (ADS)

Desjarlais, Michael; McCoy, Chad; Cochrane, Kyle; Mattsson, Thomas; Knudson, Marcus; Redmer, Ronald

2017-06-01

Recently a shock-ramp platform has been developed on the Z Accelerator to access off-Hugoniot states in liquids. The accelerator delivers a two-step current pulse; the first accelerates the electrode to a constant velocity, which upon impact with the sample cell creates a well-defined shock, the subsequent current rise produces ramp compression from the initially shocked state producing relatively cool (1-2 kK), high pressure (>300 GPa), high compression (10 to 15-fold compression) states. This technique allows experimental access to the region of phase space where hydrogen is predicted to undergo a first-order phase transition from an insulating molecular-like to a conducting atomic-like liquid. Here we discuss the experimental platform, survey various theoretical predictions for the liquid-liquid, insulator-to-metal transition in hydrogen, and present results of experiments on both deuterium and hydrogen that clearly show an abrupt transition to a metallic state. We also present results from recent experiments at higher temperatures (3-4 kK) and compare the observations to both first-principles theory and previous step-wise loading experiments that exhibited a minimum metallic conductivity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Highly responsive ground state of PbTaSe 2 : Structural phase transition and evolution of superconductivity under pressure

DOE PAGES

Kaluarachchi, Udhara S.; Deng, Yuhang; Besser, Matthew F.; ...

2017-06-09

Transport and magnetic studies of PbTaSe 2 under pressure suggest the existence of two superconducting phases with the low temperature phase boundary at ~ 0.25 GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near ~ 425 K. The new, high temperature/high pressure phase has a similar crystal structuremore » and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the 1 a to 1 e Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe 2 has an exceptionally pressure sensitive, structural phase transition with Δ T s / Δ P ≈ -1400 K/GPa near room temperature, and ≈ -1700 K/GPa near 4 K. This first order transition causes a ~ 1 K (~ 25 % ) steplike decrease in T c as pressure is increased through 0.25 GPa.« less

Na-doped La0.7Ca0.3MnO3 compounds exhibiting a large magnetocaloric effect near room temperature

NASA Astrophysics Data System (ADS)

Chi Linh, Dinh; Thi Ha, Nguyen; Huu Duc, Nguyen; Giang Nam, Le Huu; Bau, Le Viet; Manh An, Nguyen; Yu, Seong-Cho; Dang Thanh, Tran

2018-03-01

In this work, we have investigated the magnetic properties and the magnetocaloric effect of La0.7-xNaxCa0.3MnO3 compounds, which were prepared by a conventional solid-state reaction technique. The Rietveld refinement results suggested that the samples are single phase belonging to an orthorhombic structure (space group Pnma). Analyzing temperature dependence of magnetization M(T) revealed that the Curie temperature (TC) increases with increasing Na content (x). Their TC value is found to be 260-298 K for x=0.0-0.1, respectively. Base on M(T) data measured at different applied magnetic fields (H), temperature dependence of magnetic entropy change ΔSm(T) data for all the samples was calculated by using a phenomenological model. In the vicinity of TC, -ΔSm(T) curve reaches a maximum value (denoted as |ΔSmax|), which gradually increases with increasing H. Under 12 kOe, the value of |ΔSmax| is in a range of 1.47-5.19 J/kg K corresponding to the relative cooling power RCP=57.12-75.88 J/kg. Applied the universal master curve method for the magnetic entropy change, we concluded that Na-doped in La0.7-xNaxCa0.3MnO3 compounds leads to modification the nature of the magnetic phase transition from the first- to the second-order.

Polarimetric signatures of a canopy of dielectric cylinders based on first and second order vector radiative transfer theory

NASA Technical Reports Server (NTRS)

Tsang, Leung; Chan, Chi Hou; Kong, Jin AU; Joseph, James

1992-01-01

Complete polarimetric signatures of a canopy of dielectric cylinders overlying a homogeneous half space are studied with the first and second order solutions of the vector radiative transfer theory. The vector radiative transfer equations contain a general nondiagonal extinction matrix and a phase matrix. The energy conservation issue is addressed by calculating the elements of the extinction matrix and the elements of the phase matrix in a manner that is consistent with energy conservation. Two methods are used. In the first method, the surface fields and the internal fields of the dielectric cylinder are calculated by using the fields of an infinite cylinder. The phase matrix is calculated and the extinction matrix is calculated by summing the absorption and scattering to ensure energy conservation. In the second method, the method of moments is used to calculate the elements of the extinction and phase matrices. The Mueller matrix based on the first order and second order multiple scattering solutions of the vector radiative transfer equation are calculated. Results from the two methods are compared. The vector radiative transfer equations, combined with the solution based on method of moments, obey both energy conservation and reciprocity. The polarimetric signatures, copolarized and depolarized return, degree of polarization, and phase differences are studied as a function of the orientation, sizes, and dielectric properties of the cylinders. It is shown that second order scattering is generally important for vegetation canopy at C band and can be important at L band for some cases.

A new method in accelerating PROPELLER MRI.

PubMed

Li, Bing Keong; D'Arcy, Michael; Weber, Ewald; Crozier, Stuart

2008-01-01

In this work, a new method has been proposed to accelerate the PROPELLER MRI operation. The proposed method uses a rotary phased array coil and a new method in acquiring the k-space strips and preparing the complete k-space trajectories data set. It is numerically shown that for a 12 strips PROPELLER MR brain imaging sequence, the operation time can be reduced by four folds, with no apparent loss in the image quality.

Transient dynamics of secondary radiation from an HF pumped magnetized space plasma

NASA Astrophysics Data System (ADS)

Norin, L.; Grach, S. M.; Thidé, B.; Sergeev, E. N.; Leyser, T. B.

2007-09-01

In order to systematically analyze the transient wave and radiation processes that are excited when a high-frequency (HF) radio wave is injected into a magnetized space plasma, we have measured the secondary radiation, or stimulated electromagnetic emission (SEE), from the ionosphere, preconditioned such that geomagnetic field-aligned plasma irregularities are already present. The transient dynamics experiments were made using a duty cycle of the HF radio wave of 200 ms (180 ms on and 20 ms off) and 100 ms (80 ms on and 20 ms off) for various frequencies near the fifth harmonic of the local ionospheric electron cyclotron frequency. Within the first 10 ms after the radio pulse turn-on, frequency downshifted structures of the SEE exhibit an overshoot with a maximum at 3 ms < t < 8 ms, whereas the upshifted spectral components do not exhibit this feature. The relative magnitude of the overshoot is strongly dependent on the frequency offset of the pump from the harmonic of the electron cyclotron frequency. A transient blue-shifted frequency component is identified. This component is upshifted from the pump by 14 kHz < Δ f < 55 kHz and exists only within the first 10 ms after the radio pulse turn-on. On a longer time scale we analyze the amplitude modulation, or ``ringing,'' of the reflected radio wave, (also known as ``quasi-periodic oscillations'' or ``spikes''). The ringing has a frequency of the order 15-20 Hz and we show that this phenomenon is also present in the SEE sidebands and is synchronized with the ringing of the reflected HF wave itself.

User Activity Recognition in Smart Homes Using Pattern Clustering Applied to Temporal ANN Algorithm

PubMed Central

Bourobou, Serge Thomas Mickala; Yoo, Younghwan

2015-01-01

This paper discusses the possibility of recognizing and predicting user activities in the IoT (Internet of Things) based smart environment. The activity recognition is usually done through two steps: activity pattern clustering and activity type decision. Although many related works have been suggested, they had some limited performance because they focused only on one part between the two steps. This paper tries to find the best combination of a pattern clustering method and an activity decision algorithm among various existing works. For the first step, in order to classify so varied and complex user activities, we use a relevant and efficient unsupervised learning method called the K-pattern clustering algorithm. In the second step, the training of smart environment for recognizing and predicting user activities inside his/her personal space is done by utilizing the artificial neural network based on the Allen’s temporal relations. The experimental results show that our combined method provides the higher recognition accuracy for various activities, as compared with other data mining classification algorithms. Furthermore, it is more appropriate for a dynamic environment like an IoT based smart home. PMID:26007738

Light weight, high power, high voltage dc/dc converter technologies

NASA Technical Reports Server (NTRS)

Kraus, Robert; Myers, Ira; Baumann, Eric

1990-01-01

Power-conditioning weight reductions by orders of magnitude will be required to enable the megawatt-power-level space systems envisioned by the Strategic Defense Initiative, the Air Force, and NASA. An interagency program has been initiated to develop an 0.1-kg/kW dc/dc converter technology base for these future space applications. Three contractors are in the first phase of a competitive program to develop a megawatt dc/dc converter. Researchers at NASA Lewis Research Center are investigating innovative converter topology control. Three different converter subsystems based on square wave, resonant, and super-resonant topologies are being designed. The components required for the converter designs cover a wide array of technologies. Two different switches, one semiconductor and the other gas, are under development. Issues related to thermal management and material reliability for inductors, transformers, and capacitors are being investigated in order to maximize power density. A brief description of each of the concepts proposed to meet the goals of this program is presented.

Order parameters from image analysis: a honeycomb example

NASA Astrophysics Data System (ADS)

Kaatz, Forrest H.; Bultheel, Adhemar; Egami, Takeshi

2008-11-01

Honeybee combs have aroused interest in the ability of honeybees to form regular hexagonal geometric constructs since ancient times. Here we use a real space technique based on the pair distribution function (PDF) and radial distribution function (RDF), and a reciprocal space method utilizing the Debye-Waller Factor (DWF) to quantify the order for a range of honeycombs made by Apis mellifera ligustica. The PDFs and RDFs are fit with a series of Gaussian curves. We characterize the order in the honeycomb using a real space order parameter, OP 3 , to describe the order in the combs and a two-dimensional Fourier transform from which a Debye-Waller order parameter, u, is derived. Both OP 3 and u take values from [0, 1] where the value one represents perfect order. The analyzed combs have values of OP 3 from 0.33 to 0.60 and values of u from 0.59 to 0.69. RDF fits of honeycomb histograms show that naturally made comb can be crystalline in a 2D ordered structural sense, yet is more ‘liquid-like’ than cells made on ‘foundation’ wax. We show that with the assistance of man-made foundation wax, honeybees can manufacture highly ordered arrays of hexagonal cells. This is the first description of honeycomb utilizing the Debye-Waller Factor, and provides a complete analysis of the order in comb from a real-space order parameter and a reciprocal space order parameter. It is noted that the techniques used are general in nature and could be applied to any digital photograph of an ordered array.

Optoelectrical Cooling of Polar Molecules to Submillikelvin Temperatures.

PubMed

Prehn, Alexander; Ibrügger, Martin; Glöckner, Rosa; Rempe, Gerhard; Zeppenfeld, Martin

2016-02-12

We demonstrate direct cooling of gaseous formaldehyde (H2CO) to the microkelvin regime. Our approach, optoelectrical Sisyphus cooling, provides a simple dissipative cooling method applicable to electrically trapped dipolar molecules. By reducing the temperature by 3 orders of magnitude and increasing the phase-space density by a factor of ∼10(4), we generate an ensemble of 3×10(5) molecules with a temperature of about 420  μK, populating a single rotational state with more than 80% purity.

First-Order System Least-Squares for Second-Order Elliptic Problems with Discontinuous Coefficients

NASA Technical Reports Server (NTRS)

Manteuffel, Thomas A.; McCormick, Stephen F.; Starke, Gerhard

1996-01-01

The first-order system least-squares methodology represents an alternative to standard mixed finite element methods. Among its advantages is the fact that the finite element spaces approximating the pressure and flux variables are not restricted by the inf-sup condition and that the least-squares functional itself serves as an appropriate error measure. This paper studies the first-order system least-squares approach for scalar second-order elliptic boundary value problems with discontinuous coefficients. Ellipticity of an appropriately scaled least-squares bilinear form of the size of the jumps in the coefficients leading to adequate finite element approximation results. The occurrence of singularities at interface corners and cross-points is discussed. and a weighted least-squares functional is introduced to handle such cases. Numerical experiments are presented for two test problems to illustrate the performance of this approach.

Response Surface Methods For Spatially-Resolved Optical Measurement Techniques

NASA Technical Reports Server (NTRS)

Danehy, P. M.; Dorrington, A. A.; Cutler, A. D.; DeLoach, R.

2003-01-01

Response surface methods (or methodology), RSM, have been applied to improve data quality for two vastly different spatially-resolved optical measurement techniques. In the first application, modern design of experiments (MDOE) methods, including RSM, are employed to map the temperature field in a direct-connect supersonic combustion test facility at NASA Langley Research Center. The laser-based measurement technique known as coherent anti-Stokes Raman spectroscopy (CARS) is used to measure temperature at various locations in the combustor. RSM is then used to develop temperature maps of the flow. Even though the temperature fluctuations at a single point in the flowfield have a standard deviation on the order of 300 K, RSM provides analytic fits to the data having 95% confidence interval half width uncertainties in the fit as low as +/- 30 K. Methods of optimizing future CARS experiments are explored. The second application of RSM is to quantify the shape of a 5-meter diameter, ultra-lightweight, inflatable space antenna at NASA Langley Research Center. Photogrammetry is used to simultaneously measure the shape of the antenna at approximately 500 discrete spatial locations. RSM allows an analytic model to be developed that describes the shape of the majority of the antenna with an uncertainty of 0.4 mm, with 95% confidence. This model would allow a quantitative comparison between the actual shape of the antenna and the original design shape. Accurately determining this shape also allows confident interpolation between the measured points. Such a model could, for example, be used for ray tracing of radio-frequency waves up to 95 GHz. to predict the performance of the antenna.

Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2.

PubMed

Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi

2006-03-30

Sandwich-type supramolecular cation structures of (M(+))([12]crown-4)(2) complexes (M(+) = Li(+), Na(+), K(+), and Rb(+)) were introduced as countercations to the [Ni(dmit)(2)](-) anion, which bears an S = (1)/(2) spin, to form novel magnetic crystals (dmit(2-) = 2-thione-1,3-dithiole-4,5-dithiolate). The zigzag arrangement of Li(+)([12]crown-4)(2) cations in Li(+)([12]crown-4)(2)[Ni(dmit)(2)](-) salt induced weak intermolecular interactions of [Ni(dmit)(2)](-) dimers, whose magnetic spins were isolated from each other. The molecular arrangements of cations and anions in M(+)([12]crown-4)(2)[Ni(dmit)(2)](-) salts (M(+) = Na(+), K(+), and Rb(+)) were isostructural to each other. In the case of Na(+)([12]crown-4)(2)[Ni(dmit)(2)](-), the space group C2/m changed to C2/c with a lowering in temperature from 298 to 100 K. This structural change occurred at 222.5 K as a first-order phase transition. The space group C2/m (T = 298 K) in the salt K(+)([12]crown-4)(2)[Ni(dmit)(2)](-) also changed to C2/c (T = 100 K), which transition occurred at 270 K. Crystal structural analyses at 298 and 100 K revealed changes in both supramolecular cation conformation and [Ni(dmit)(2)](-) anion arrangements. The transition from C2/m to C2/c crystals generated a dipole moment in the Na(+)([12]crown-4)(2) and K(+)([12]crown-4)(2) structures, which were reconstructed to cancel the net dipole moment of the C2/c crystals. These cation transformations led to changes in intermolecular interactions between the [Ni(dmit)(2)](-) anions via structural rearrangements. The crystal structure of C2/c was stabilized in Rb(+)([12]crown-4)(2)[Ni(dmit)(2)](-) at 298 K. The [Ni(dmit)(2)](-) configuration in these salts with the C2/c space group was a one-dimensional uniform chain, which showed the temperature-dependent magnetic susceptibility of a one-dimensional linear Heisenberg antiferromagnetic chain.

A comparison of zero-order, first-order, and monod biotransformation models

USGS Publications Warehouse

Bekins, B.A.; Warren, E.; Godsy, E.M.

1998-01-01

Under some conditions, a first-order kinetic model is a poor representation of biodegradation in contaminated aquifers. Although it is well known that the assumption of first-order kinetics is valid only when substrate concentration, S, is much less than the half-saturation constant, K(s), this assumption is often made without verification of this condition. We present a formal error analysis showing that the relative error in the first-order approximation is S/K(S) and in the zero-order approximation the error is K(s)/S. We then examine the problems that arise when the first-order approximation is used outside the range for which it is valid. A series of numerical simulations comparing results of first- and zero-order rate approximations to Monod kinetics for a real data set illustrates that if concentrations observed in the field are higher than K(s), it may better to model degradation using a zero-order rate expression. Compared with Monod kinetics, extrapolation of a first-order rate to lower concentrations under-predicts the biotransformation potential, while extrapolation to higher concentrations may grossly over-predict the transformation rate. A summary of solubilities and Monod parameters for aerobic benzene, toluene, and xylene (BTX) degradation shows that the a priori assumption of first-order degradation kinetics at sites contaminated with these compounds is not valid. In particular, out of six published values of KS for toluene, only one is greater than 2 mg/L, indicating that when toluene is present in concentrations greater than about a part per million, the assumption of first-order kinetics may be invalid. Finally, we apply an existing analytical solution for steady-state one-dimensional advective transport with Monod degradation kinetics to a field data set.A formal error analysis is presented showing that the relative error in the first-order approximation is S/KS and in the zero-order approximation the error is KS/S where S is the substrate concentration and KS is the half-saturation constant. The problems that arise when the first-order approximation is used outside the range for which it is valid are examined. A series of numerical simulations comparing results of first- and zero-order rate approximations to Monod kinetics for a real data set illustrates that if concentrations observed in the field are higher than KS, it may be better to model degradation using a zero-order rate expression.

A recursive method for calculating the total number of spanning trees and its applications in self-similar small-world scale-free network models

NASA Astrophysics Data System (ADS)

Ma, Fei; Su, Jing; Yao, Bing

2018-05-01

The problem of determining and calculating the number of spanning trees of any finite graph (model) is a great challenge, and has been studied in various fields, such as discrete applied mathematics, theoretical computer science, physics, chemistry and the like. In this paper, firstly, thank to lots of real-life systems and artificial networks built by all kinds of functions and combinations among some simpler and smaller elements (components), we discuss some helpful network-operation, including link-operation and merge-operation, to design more realistic and complicated network models. Secondly, we present a method for computing the total number of spanning trees. As an accessible example, we apply this method to space of trees and cycles respectively, and our results suggest that it is indeed a better one for such models. In order to reflect more widely practical applications and potentially theoretical significance, we study the enumerating method in some existing scale-free network models. On the other hand, we set up a class of new models displaying scale-free feature, that is to say, following P(k) k-γ, where γ is the degree exponent. Based on detailed calculation, the degree exponent γ of our deterministic scale-free models satisfies γ > 3. In the rest of our discussions, we not only calculate analytically the solutions of average path length, which indicates our models have small-world property being prevailing in amounts of complex systems, but also derive the number of spanning trees by means of the recursive method described in this paper, which clarifies our method is convenient to research these models.

Structural phase transition in d-benzil characterised by capacitance measurements and neutron powder diffraction

NASA Astrophysics Data System (ADS)

Goossens, D. J.; Wu, Xiaodong; Prior, M.

2005-12-01

The ferroelectric phase transition in deuterated benzil, C 14H 10O 2, has been studied using capacitance measurements and neutron powder diffraction. Hydrogenous benzil shows a phase transition at 83.5 K from a high temperature P3 121 phase to a cell-doubled P2 1 phase. The phase transition in d-benzil occurs at 88.1 K, a small isotope effect. Neutron powder diffraction was consistent with a low temperature phase of space group P2 1. Upon deuteration the transition remained first-order and the dynamics of the phenyl ring dominated the behaviour. The isotope effect can be attributed to the difference in mass and moment of inertia between C 6H 5 and C 6D 5.

Crystallographic and magnetic structure of the novel compound ErGe 1.83

NASA Astrophysics Data System (ADS)

Oleksyn, O.; Schobinger-Papamantellos, P.; Ritter, C.; de Groot, C. H.; Buschow, K. H. J.

1997-02-01

The crystal structure and the magnetic ordering of the novel orthorhombic compound ErGe 2-x has been studied by neutron powder diffraction and magnetic measurements. The crystal structure belongs to the DyGe 1.85-type (space group Cmc2 1)·ErGe 2-x ( x = 0.17 (2)) orders antiferromagnetically below TN = 6 K and displays a metamagnetic behaviour. The magnetic cell has the same size as the chemical unit cell ( q = 0 ). The magnetic space group is Cmc2 1 (Sh 36173). At T = 1.5 K the magnetic moments of the two erbium sites have the same ordered magnetic moment values of 7.63 (6) μB/Er and are antiferromagnetically coupled leading to an uniaxial structure along the a direction.

A 100-kWt NaK-Cooled Space Reactor Concept for an Early-Flight Mission

NASA Astrophysics Data System (ADS)

Poston, David I.

2003-01-01

A stainless-steel (SS) sodium-potassium (NaK) cooled reactor could potentially be the first step in utilizing fission technology in space. The sum of all system-level experience for liquid-metal-cooled space reactors has been with NaK, including the SNAP-10a, the only reactor ever launched by the US. This paper describes a 100-kWt NaK reactor, the NaK-100, which is designed to be developed with minimal technical risk. In additional to NaK technology heritage, the NaK-100 uses a proven fuel-form (SS/UO2) and is designed for simplified system integration and testing. The pins are placed within a solid SS prism, and the NaK flows in an annulus between the pins and the prism. The nuclear and thermal-hydraulic performance of the NaK-100 is presented, as well as the major differences between the NaK-100 and SNAP-10a.

The theoretical accuracy of Runge-Kutta time discretizations for the initial boundary value problem: A careful study of the boundary error

NASA Technical Reports Server (NTRS)

Carpenter, Mark H.; Gottlieb, David; Abarbanel, Saul; Don, Wai-Sun

1993-01-01

The conventional method of imposing time dependent boundary conditions for Runge-Kutta (RK) time advancement reduces the formal accuracy of the space-time method to first order locally, and second order globally, independently of the spatial operator. This counter intuitive result is analyzed in this paper. Two methods of eliminating this problem are proposed for the linear constant coefficient case: (1) impose the exact boundary condition only at the end of the complete RK cycle, (2) impose consistent intermediate boundary conditions derived from the physical boundary condition and its derivatives. The first method, while retaining the RK accuracy in all cases, results in a scheme with much reduced CFL condition, rendering the RK scheme less attractive. The second method retains the same allowable time step as the periodic problem. However it is a general remedy only for the linear case. For non-linear hyperbolic equations the second method is effective only for for RK schemes of third order accuracy or less. Numerical studies are presented to verify the efficacy of each approach.

The matter power spectrum in redshift space using effective field theory

NASA Astrophysics Data System (ADS)

Fonseca de la Bella, Lucía; Regan, Donough; Seery, David; Hotchkiss, Shaun

2017-11-01

The use of Eulerian 'standard perturbation theory' to describe mass assembly in the early universe has traditionally been limited to modes with k lesssim 0.1 h/Mpc at z=0. At larger k the SPT power spectrum deviates from measurements made using N-body simulations. Recently, there has been progress in extending the reach of perturbation theory to larger k using ideas borrowed from effective field theory. We revisit the computation of the redshift-space matter power spectrum within this framework, including for the first time the full one-loop time dependence. We use a resummation scheme proposed by Vlah et al. to account for damping of baryonic acoustic oscillations due to large-scale random motions and show that this has a significant effect on the multipole power spectra. We renormalize by comparison to a suite of custom N-body simulations matching the MultiDark MDR1 cosmology. At z=0 and for scales k lesssim 0.4 h/Mpc we find that the EFT furnishes a description of the real-space power spectrum up to ~ 2%, for the l = 0 mode up to ~ 5%, and for the l = 2, 4 modes up to ~ 25%. We argue that, in the MDR1 cosmology, positivity of the l=0 mode gives a firm upper limit of k ≈ 0.74 h/Mpc for the validity of the one-loop EFT prediction in redshift space using only the lowest-order counterterm. We show that replacing the one-loop growth factors by their Einstein-de Sitter counterparts is a good approximation for the l=0 mode, but can induce deviations as large as 2% for the l=2, 4 modes. An accompanying software bundle, distributed under open source licenses, includes Mathematica notebooks describing the calculation, together with parallel pipelines capable of computing both the necessary one-loop SPT integrals and the effective field theory counterterms.

Rapid exploration of configuration space with diffusion-map-directed molecular dynamics.

PubMed

Zheng, Wenwei; Rohrdanz, Mary A; Clementi, Cecilia

2013-10-24

The gap between the time scale of interesting behavior in macromolecular systems and that which our computational resources can afford often limits molecular dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named diffusion-map-directed MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses a diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here, we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems, we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300 K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD.

Rapid Exploration of Configuration Space with Diffusion Map-directed-Molecular Dynamics

PubMed Central

Zheng, Wenwei; Rohrdanz, Mary A.; Clementi, Cecilia

2013-01-01

The gap between the timescale of interesting behavior in macromolecular systems and that which our computational resources can afford oftentimes limits Molecular Dynamics (MD) from understanding experimental results and predicting what is inaccessible in experiments. In this paper, we introduce a new sampling scheme, named Diffusion Map-directed-MD (DM-d-MD), to rapidly explore molecular configuration space. The method uses diffusion map to guide MD on the fly. DM-d-MD can be combined with other methods to reconstruct the equilibrium free energy, and here we used umbrella sampling as an example. We present results from two systems: alanine dipeptide and alanine-12. In both systems we gain tremendous speedup with respect to standard MD both in exploring the configuration space and reconstructing the equilibrium distribution. In particular, we obtain 3 orders of magnitude of speedup over standard MD in the exploration of the configurational space of alanine-12 at 300K with DM-d-MD. The method is reaction coordinate free and minimally dependent on a priori knowledge of the system. We expect wide applications of DM-d-MD to other macromolecular systems in which equilibrium sampling is not affordable by standard MD. PMID:23865517

Generalized model for k -core percolation and interdependent networks

NASA Astrophysics Data System (ADS)

Panduranga, Nagendra K.; Gao, Jianxi; Yuan, Xin; Stanley, H. Eugene; Havlin, Shlomo

2017-09-01

Cascading failures in complex systems have been studied extensively using two different models: k -core percolation and interdependent networks. We combine the two models into a general model, solve it analytically, and validate our theoretical results through extensive simulations. We also study the complete phase diagram of the percolation transition as we tune the average local k -core threshold and the coupling between networks. We find that the phase diagram of the combined processes is very rich and includes novel features that do not appear in the models studying each of the processes separately. For example, the phase diagram consists of first- and second-order transition regions separated by two tricritical lines that merge and enclose a two-stage transition region. In the two-stage transition, the size of the giant component undergoes a first-order jump at a certain occupation probability followed by a continuous second-order transition at a lower occupation probability. Furthermore, at certain fixed interdependencies, the percolation transition changes from first-order → second-order → two-stage → first-order as the k -core threshold is increased. The analytic equations describing the phase boundaries of the two-stage transition region are set up, and the critical exponents for each type of transition are derived analytically.

K-space reconstruction with anisotropic kernel support (KARAOKE) for ultrafast partially parallel imaging

PubMed Central

Miao, Jun; Wong, Wilbur C. K.; Narayan, Sreenath; Wilson, David L.

2011-01-01

Purpose: Partially parallel imaging (PPI) greatly accelerates MR imaging by using surface coil arrays and under-sampling k-space. However, the reduction factor (R) in PPI is theoretically constrained by the number of coils (NC). A symmetrically shaped kernel is typically used, but this often prevents even the theoretically possible R from being achieved. Here, the authors propose a kernel design method to accelerate PPI faster than R = NC. Methods: K-space data demonstrates an anisotropic pattern that is correlated with the object itself and to the asymmetry of the coil sensitivity profile, which is caused by coil placement and B1 inhomogeneity. From spatial analysis theory, reconstruction of such pattern is best achieved by a signal-dependent anisotropic shape kernel. As a result, the authors propose the use of asymmetric kernels to improve k-space reconstruction. The authors fit a bivariate Gaussian function to the local signal magnitude of each coil, then threshold this function to extract the kernel elements. A perceptual difference model (Case-PDM) was employed to quantitatively evaluate image quality. Results: A MR phantom experiment showed that k-space anisotropy increased as a function of magnetic field strength. The authors tested a K-spAce Reconstruction with AnisOtropic KErnel support (“KARAOKE”) algorithm with both MR phantom and in vivo data sets, and compared the reconstructions to those produced by GRAPPA, a popular PPI reconstruction method. By exploiting k-space anisotropy, KARAOKE was able to better preserve edges, which is particularly useful for cardiac imaging and motion correction, while GRAPPA failed at a high R near or exceeding NC. KARAOKE performed comparably to GRAPPA at low Rs. Conclusions: As a rule of thumb, KARAOKE reconstruction should always be used for higher quality k-space reconstruction, particularly when PPI data is acquired at high Rs and∕or high field strength. PMID:22047378

Swamp Works: A New Approach to Develop Space Mining and Resource Extraction Technologies at the National Aeronautics Space Administration (NASA) Kennedy Space Center (KSC)

NASA Technical Reports Server (NTRS)

Mueller, R. P.; Sibille, L.; Leucht, K.; Smith, J. D.; Townsend, I. I.; Nick, A. J.; Schuler, J. M.

2015-01-01

The first steps for In Situ Resource Utilization (ISRU) on target bodies such as the Moon, Mars and Near Earth Asteroids (NEA), and even comets, involve the same sequence of steps as in the terrestrial mining of resources. First exploration including prospecting must occur, and then the resource must be acquired through excavation methods if it is of value. Subsequently a load, haul and dump sequence of events occurs, followed by processing of the resource in an ISRU plant, to produce useful commodities. While these technologies and related supporting operations are mature in terrestrial applications, they will be different in space since the environment and indigenous materials are different than on Earth. In addition, the equipment must be highly automated, since for the majority of the production cycle time, there will be no humans present to assist or intervene. This space mining equipment must withstand a harsh environment which includes vacuum, radical temperature swing cycles, highly abrasive lofted dust, electrostatic effects, van der Waals forces effects, galactic cosmic radiation, solar particle events, high thermal gradients when spanning sunlight terminators, steep slopes into craters / lava tubes and cryogenic temperatures as low as 40 K in permanently shadowed regions. In addition the equipment must be tele-operated from Earth or a local base where the crew is sheltered. If the tele-operation occurs from Earth then significant communications latency effects mandate the use of autonomous control systems in the mining equipment. While this is an extremely challenging engineering design scenario, it is also an opportunity, since the technologies developed in this endeavor could be used in the next generations of terrestrial mining equipment, in order to mine deeper, safer, more economical and with a higher degree of flexibility. New space technologies could precipitate new mining solutions here on Earth. The NASA KSC Swamp Works is an innovation environment and methodology, with associated laboratories that uses lean development methods and creativity-enhancing processes to invent and develop new solutions for space exploration. This paper will discuss the Swamp Works approach to developing space mining and resource extraction systems and the vision of space development it serves. The ultimate goal of the Swamp Works is to expand human civilization into the solar system via the use of local resources utilization. By mining and using the local resources in situ, it is conceivable that one day the logistics supply train from Earth can be eliminated and Earth independence of a space-based community will be enabled.

Optical conductivity calculation of a k.p model semiconductor GaAs incorporating first-order electron-hole vertex correction

NASA Astrophysics Data System (ADS)

Nurhuda, Maryam; Aziz Majidi, Muhammad

2018-04-01

The role of excitons in semiconducting materials carries potential applications. Experimental results show that excitonic signals also appear in optical absorption spectra of semiconductor system with narrow gap, such as Gallium Arsenide (GaAs). While on the theoretical side, calculation of optical spectra based purely on Density Functional Theory (DFT) without taking electron-hole (e-h) interactions into account does not lead to the appearance of any excitonic signal. Meanwhile, existing DFT-based algorithms that include a full vertex correction through Bethe-Salpeter equation may reveal an excitonic signal, but the algorithm has not provided a way to analyze the excitonic signal further. Motivated to provide a way to isolate the excitonic effect in the optical response theoretically, we develop a method of calculation for the optical conductivity of a narrow band-gap semiconductor GaAs within the 8-band k.p model that includes electron-hole interactions through first-order electron-hole vertex correction. Our calculation confirms that the first-order e-h vertex correction reveals excitonic signal around 1.5 eV (the band gap edge), consistent with the experimental data.

A higher order numerical method for time fractional partial differential equations with nonsmooth data

NASA Astrophysics Data System (ADS)

Xing, Yanyuan; Yan, Yubin

2018-03-01

Gao et al. [11] (2014) introduced a numerical scheme to approximate the Caputo fractional derivative with the convergence rate O (k 3 - α), 0 < α < 1 by directly approximating the integer-order derivative with some finite difference quotients in the definition of the Caputo fractional derivative, see also Lv and Xu [20] (2016), where k is the time step size. Under the assumption that the solution of the time fractional partial differential equation is sufficiently smooth, Lv and Xu [20] (2016) proved by using energy method that the corresponding numerical method for solving time fractional partial differential equation has the convergence rate O (k 3 - α), 0 < α < 1 uniformly with respect to the time variable t. However, in general the solution of the time fractional partial differential equation has low regularity and in this case the numerical method fails to have the convergence rate O (k 3 - α), 0 < α < 1 uniformly with respect to the time variable t. In this paper, we first obtain a similar approximation scheme to the Riemann-Liouville fractional derivative with the convergence rate O (k 3 - α), 0 < α < 1 as in Gao et al. [11] (2014) by approximating the Hadamard finite-part integral with the piecewise quadratic interpolation polynomials. Based on this scheme, we introduce a time discretization scheme to approximate the time fractional partial differential equation and show by using Laplace transform methods that the time discretization scheme has the convergence rate O (k 3 - α), 0 < α < 1 for any fixed tn > 0 for smooth and nonsmooth data in both homogeneous and inhomogeneous cases. Numerical examples are given to show that the theoretical results are consistent with the numerical results.

Universal relations of an ultracold Fermi gas with arbitrary spin-orbit coupling

NASA Astrophysics Data System (ADS)

Jie, Jianwen; Qi, Ran; Zhang, Peng

2018-05-01

We derive the universal relations for an ultracold two-component Fermi gas with a spin-orbit coupling (SOC) ∑α,β =x ,y ,zλα βσαpβ , where px ,y ,z and σx ,y ,z are the single-atom momentum and Pauli operators for pseudospin, respectively, and the SOC intensity λα β could take an arbitrary value. We consider the system with an s -wave short-range interspecies interaction, and ignore the SOC-induced modification for the value of the scattering length. Using the first-quantized approach developed by Tan [S. Tan, Phys. Rev. Lett. 107, 145302 (2011), 10.1103/PhysRevLett.107.145302], we obtain the short-range and high-momentum expansions for the one-body real-space correlation function and momentum distribution function, respectively. For our system these functions are a 2 ×2 matrix in the pseudospin basis. We find that the leading-order (1 /k4 ) behavior of the diagonal elements of the momentum distribution function, i.e., n↑↑(k ) and n↓↓(k ) , are not modified by the SOC. However, the SOC can significantly modify the large-k behaviors of the distribution difference δ n (k ) ≡n↑↑(k ) -n↓↓(k ) as well as the nondiagonal elements of the momentum distribution function, i.e., n↑↓(k ) and n↓↑(k ) . In the absence of the SOC, the leading order of δ n (k ) , n↑↓(k ) , and n↓↑(k ) is O (1 /k6) . When SOC appears, it can induce a term on the order of 1 /k5 for these elements. We further derive the adiabatic relation and the energy functional. Our results show that the SOC can induce an additional term in the energy functional, which describes the contribution from the SOC to the total energy. In addition, the form of the adiabatic relation for our system is not modified by the SOC. Our results are applicable for the systems with any type of single-atom trapping potential, which could be either diagonal or nondiagonal in the pseudospin basis.

Daytime Detection of Space Objects

DTIC Science & Technology

2005-03-01

photon flux is much larger than the signal flux and is the dominant noise source, we are operating in Background Limited Infrared Photodector (BLIP...electromagnetic radiation (visible, infrared , radar, etc.) strikes a material interface of a body, it can scatter off the top or first surface, as well as...nighttime, daytime and infrared flares respectively. The thermal emission of space objects at 353K, 900K and 1300K with 2 to 20 m2 emitting areas

Discrete Fourier transforms of nonuniformly spaced data

NASA Technical Reports Server (NTRS)

Swan, P. R.

1982-01-01

Time series or spatial series of measurements taken with nonuniform spacings have failed to yield fully to analysis using the Discrete Fourier Transform (DFT). This is due to the fact that the formal DFT is the convolution of the transform of the signal with the transform of the nonuniform spacings. Two original methods are presented for deconvolving such transforms for signals containing significant noise. The first method solves a set of linear equations relating the observed data to values defined at uniform grid points, and then obtains the desired transform as the DFT of the uniform interpolates. The second method solves a set of linear equations relating the real and imaginary components of the formal DFT directly to those of the desired transform. The results of numerical experiments with noisy data are presented in order to demonstrate the capabilities and limitations of the methods.

Low-temperature synthesis and structural properties of ferroelectric K 3WO 3F 3 elpasolite

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Aleksandrov, K. S.

2010-06-01

Low-temperature ferroelectric G2 polymorph of K 3WO 3F 3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO 3F 3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3) Å, b = 8.6808(5) Å, c = 6.1581(3) Å, β = 135.124(3) Å, V = 329.46(3) Å 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A 2BMO 3F 3 oxyfluorides is discussed.

Bayesian deconvolution of [corrected] fMRI data using bilinear dynamical systems.

PubMed

Makni, Salima; Beckmann, Christian; Smith, Steve; Woolrich, Mark

2008-10-01

In Penny et al. [Penny, W., Ghahramani, Z., Friston, K.J. 2005. Bilinear dynamical systems. Philos. Trans. R. Soc. Lond. B Biol. Sci. 360(1457) 983-993], a particular case of the Linear Dynamical Systems (LDSs) was used to model the dynamic behavior of the BOLD response in functional MRI. This state-space model, called bilinear dynamical system (BDS), is used to deconvolve the fMRI time series in order to estimate the neuronal response induced by the different stimuli of the experimental paradigm. The BDS model parameters are estimated using an expectation-maximization (EM) algorithm proposed by Ghahramani and Hinton [Ghahramani, Z., Hinton, G.E. 1996. Parameter Estimation for Linear Dynamical Systems. Technical Report, Department of Computer Science, University of Toronto]. In this paper we introduce modifications to the BDS model in order to explicitly model the spatial variations of the haemodynamic response function (HRF) in the brain using a non-parametric approach. While in Penny et al. [Penny, W., Ghahramani, Z., Friston, K.J. 2005. Bilinear dynamical systems. Philos. Trans. R. Soc. Lond. B Biol. Sci. 360(1457) 983-993] the relationship between neuronal activation and fMRI signals is formulated as a first-order convolution with a kernel expansion using basis functions (typically two or three), in this paper, we argue in favor of a spatially adaptive GLM in which a local non-parametric estimation of the HRF is performed. Furthermore, in order to overcome the overfitting problem typically associated with simple EM estimates, we propose a full Variational Bayes (VB) solution to infer the BDS model parameters. We demonstrate the usefulness of our model which is able to estimate both the neuronal activity and the haemodynamic response function in every voxel of the brain. We first examine the behavior of this approach when applied to simulated data with different temporal and noise features. As an example we will show how this method can be used to improve interpretability of estimates from an independent component analysis (ICA) analysis of fMRI data. We finally demonstrate its use on real fMRI data in one slice of the brain.

Generation of kth-order random toposequences

NASA Astrophysics Data System (ADS)

Odgers, Nathan P.; McBratney, Alex. B.; Minasny, Budiman

2008-05-01

The model presented in this paper derives toposequences from a digital elevation model (DEM). It is written in ArcInfo Macro Language (AML). The toposequences are called kth-order random toposequences, because they take a random path uphill to the top of a hill and downhill to a stream or valley bottom from a randomly selected seed point, and they are located in a streamshed of order k according to a particular stream-ordering system. We define a kth-order streamshed as the area of land that drains directly to a stream segment of stream order k. The model attempts to optimise the spatial configuration of a set of derived toposequences iteratively by using simulated annealing to maximise the total sum of distances between each toposequence hilltop in the set. The user is able to select the order, k, of the derived toposequences. Toposequences are useful for determining soil sampling locations for use in collecting soil data for digital soil mapping applications. Sampling locations can be allocated according to equal elevation or equal-distance intervals along the length of the toposequence, for example. We demonstrate the use of this model for a study area in the Hunter Valley of New South Wales, Australia. Of the 64 toposequences derived, 32 were first-order random toposequences according to Strahler's stream-ordering system, and 32 were second-order random toposequences. The model that we present in this paper is an efficient method for sampling soil along soil toposequences. The soils along a toposequence are related to each other by the topography they are found in, so soil data collected by this method is useful for establishing soil-landscape rules for the preparation of digital soil maps.

Na, K, Rb, and Cs Exchange in Heulandite Single-Crystals: X-Ray Structure Refinements at 100 K

NASA Astrophysics Data System (ADS)

Yang, Ping; Armbruster, Thomas

1996-04-01

The crystal structures of Na-, K-, Rb-, and Cs-exchanged varieties of the zeolite heulandite with the simplified compositionM+9Al9Si27O72·nH2O were studied by single-crystal X-ray diffraction at 100 K. The structure refinements of Na-, K-, and Rb-exchanged heulandite were performed in space groupC2/mwith resultantRvalues of 3.8, 3.0, and 4.9%, respectively. Cs-exchanged heulandite was refined in space groupC[formula], yielding anRvalue of 3.4%. X-ray single-crystal data of the Cs-exchanged variety indicated that many reflections of typeh k lwere not equivalent toh -k las expected for monoclinic symmetry. With increasing radius of the incorporated channel cations, thebaxis increases from 17.93 to 18.09 Å leading to a slight widening of the channels. The number of H2O molecules also decreases with increasing cation radius due to space limitations. Three general cation positions (II-1,C3, andB4) were found in the four exchanged heulandite samples. For Rb- and Cs-exchanged crystals, the additional cation siteA2 occurs. In Cs-exchanged heulandite symmetry lowering is due to partial Si, Al ordering in the framework accompanied with a more asymmetric arrangement of channel Cs. Only if heavy elements in the channels are present the symmetry information of the framework is enforced, thus partial Si, Al ordering can be resolved.

Measuring the Flatness of Focal Plane for Very Large Mosaic CCD Camera

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

Hao, Jiangang; Estrada, Juan; Cease, Herman

2010-06-08

Large mosaic multiCCD camera is the key instrument for modern digital sky survey. DECam is an extremely red sensitive 520 Megapixel camera designed for the incoming Dark Energy Survey (DES). It is consist of sixty two 4k x 2k and twelve 2k x 2k 250-micron thick fully-depleted CCDs, with a focal plane of 44 cm in diameter and a field of view of 2.2 square degree. It will be attached to the Blanco 4-meter telescope at CTIO. The DES will cover 5000 square-degrees of the southern galactic cap in 5 color bands (g, r, i, z, Y) in 5 yearsmore » starting from 2011. To achieve the science goal of constraining the Dark Energy evolution, stringent requirements are laid down for the design of DECam. Among them, the flatness of the focal plane needs to be controlled within a 60-micron envelope in order to achieve the specified PSF variation limit. It is very challenging to measure the flatness of the focal plane to such precision when it is placed in a high vacuum dewar at 173 K. We developed two image based techniques to measure the flatness of the focal plane. By imaging a regular grid of dots on the focal plane, the CCD offset along the optical axis is converted to the variation the grid spacings at different positions on the focal plane. After extracting the patterns and comparing the change in spacings, we can measure the flatness to high precision. In method 1, the regular dots are kept in high sub micron precision and cover the whole focal plane. In method 2, no high precision for the grid is required. Instead, we use a precise XY stage moves the pattern across the whole focal plane and comparing the variations of the spacing when it is imaged by different CCDs. Simulation and real measurements show that the two methods work very well for our purpose, and are in good agreement with the direct optical measurements.« less

Ordered micro/macro porous K-OMS-2/SiO2 nanocatalysts: Facile synthesis, low cost and high catalytic activity for diesel soot combustion

PubMed Central

Yu, Xuehua; Zhao, Zhen; Wei, Yuechang; Liu, Jian

2017-01-01

A series of novel oxide catalysts, which contain three-dimensionally ordered macroporous (3DOM) and microporous structure, were firstly designed and successfully synthesized by simple method. In the as-prepared catalysts, 3DOM SiO2 is used as support and microporous K-OMS-2 oxide nanoparticles are supported on the wall of SiO2. 3DOM K-OMS-2/SiO2 oxide catalysts were firstly used in soot particle oxidation reaction and they show very high catalytic activities. The high activities of K-OMS-2/SiO2 oxide catalysts can be assigned to three possible reasons: macroporous effect of 3DOM structure for improving contact between soot and catalyst, microporous effect of K-OMS-2 for adsorption of small gas molecules and interaction of K and Mn for activation of gas molecules. The catalytic activities of catalysts are comparable to or even higher than noble metal catalyst in the medium and high temperature range. For example, the T50 of K-OMS-2/SiO2-50, 328 °C, is much lower than those of Pt/Al2O3 and 3DOM Au/LaFeO3, 464 and 356 °C,respectively. Moreover, catalysts exhibited high catalytic stability. It is attributed to that the K+ ions are introduced into the microporous structure of OMS-2 and stabilized in the catalytic reaction. Meanwhile, the K+ ions play an important role in templating and stabilizing the tunneled framework of OMS-2. PMID:28443610

Electrical performance characteristics of high power converters for space power applications

NASA Technical Reports Server (NTRS)

Stuart, Thomas A.; King, Roger J.

1989-01-01

The first goal of this project was to investigate various converters that would be suitable for processing electric power derived from a nuclear reactor. The implementation is indicated of a 20 kHz system that includes a source converter, a ballast converter, and a fixed frequency converter for generating the 20 kHz output. This system can be converted to dc simply by removing the fixed frequency converter. This present study emphasized the design and testing of the source and ballast converters. A push-pull current-fed (PPCF) design was selected for the source converter, and a 2.7 kW version of this was implemented using three 900 watt modules in parallel. The characteristic equation for two converters in parallel was derived, but this analysis did not yield any experimental methods for measuring relative stability. The three source modules were first tested individually and then in parallel as a 2.7 kW system. All tests proved to be satisfactory; the system was stable; efficiency and regulation were acceptable; and the system was fault tolerant. The design of a ballast-load converter, which was operated as a shunt regulator, was investigated. The proposed power circuit is suitable for use with BJTs because proportional base drive is easily implemented. A control circuit which minimizes switching frequency ripple and automatically bypasses a faulty shunt section was developed. A nonlinear state-space-averaged model of the shunt regulator was developed and shown to produce an accurate incremental (small-signal) dynamic model, even though the usual state-space-averaging assumptions were not met. The nonlinear model was also shown to be useful for large-signal dynamic simulation using PSpice.

Very high order PNPM schemes on unstructured meshes for the resistive relativistic MHD equations

NASA Astrophysics Data System (ADS)

Dumbser, Michael; Zanotti, Olindo

2009-10-01

In this paper we propose the first better than second order accurate method in space and time for the numerical solution of the resistive relativistic magnetohydrodynamics (RRMHD) equations on unstructured meshes in multiple space dimensions. The nonlinear system under consideration is purely hyperbolic and contains a source term, the one for the evolution of the electric field, that becomes stiff for low values of the resistivity. For the spatial discretization we propose to use high order PNPM schemes as introduced in Dumbser et al. [M. Dumbser, D. Balsara, E.F. Toro, C.D. Munz, A unified framework for the construction of one-step finite volume and discontinuous Galerkin schemes, Journal of Computational Physics 227 (2008) 8209-8253] for hyperbolic conservation laws and a high order accurate unsplit time-discretization is achieved using the element-local space-time discontinuous Galerkin approach proposed in Dumbser et al. [M. Dumbser, C. Enaux, E.F. Toro, Finite volume schemes of very high order of accuracy for stiff hyperbolic balance laws, Journal of Computational Physics 227 (2008) 3971-4001] for one-dimensional balance laws with stiff source terms. The divergence-free character of the magnetic field is accounted for through the divergence cleaning procedure of Dedner et al. [A. Dedner, F. Kemm, D. Kröner, C.-D. Munz, T. Schnitzer, M. Wesenberg, Hyperbolic divergence cleaning for the MHD equations, Journal of Computational Physics 175 (2002) 645-673]. To validate our high order method we first solve some numerical test cases for which exact analytical reference solutions are known and we also show numerical convergence studies in the stiff limit of the RRMHD equations using PNPM schemes from third to fifth order of accuracy in space and time. We also present some applications with shock waves such as a classical shock tube problem with different values for the conductivity as well as a relativistic MHD rotor problem and the relativistic equivalent of the Orszag-Tang vortex problem. We have verified that the proposed method can handle equally well the resistive regime and the stiff limit of ideal relativistic MHD. For these reasons it provides a powerful tool for relativistic astrophysical simulations involving the appearance of magnetic reconnection.

The stability of quadratic-reciprocal functional equation

NASA Astrophysics Data System (ADS)

Song, Aimin; Song, Minwei

2018-04-01

A new quadratic-reciprocal functional equation f ((k +1 )x +k y )+f ((k +1 )x -k y )=2/f (x )f (y )[(k+1 ) 2f (y )+k2f (x )] [(k+1)2f (y )-k2f (x )] 2 is introduced. The Hyers-Ulam stability for the quadratic-reciprocal functional equations is proved in Banach spaces using the direct method and the fixed point method, respectively.

The fuel cell in space: Yesterday, today and tomorrow

NASA Technical Reports Server (NTRS)

Warshay, Marvin; Prokopius, Paul R.

1989-01-01

The past, present, and future of space fuel cell power systems is reviewed, starting with the first practical fuel cell by F.T. Bacon which led to the 1.5 kW Apollo alkaline fuel cell. However, the first fuel cell to be used for space power was the Gemini 1.0 kW Acid IEM fuel cell. The successor to the Apollo fuel cell is today's 12 kW Orbiter alkaline fuel cell whose technology is considerably different and considerably better than that of its ancestor, the Bacon cell. And in terms of specific weight there has been a steady improvement from the past to the present, from the close to 200 lb/kW of Apollo to the 20 lb/kW of the orbiter. For NASA future Lunar and Martian surface power requirements the regenerative fuel cell (RFC) energy storage system is enabling technology, with the alkaline and the PEM the leading RFC candidate systems. The U.S. Air Force continues to support fuel cell high power density technology development for its future short duration applications.

An Upwind Solver for the National Combustion Code

NASA Technical Reports Server (NTRS)

Sockol, Peter M.

2011-01-01

An upwind solver is presented for the unstructured grid National Combustion Code (NCC). The compressible Navier-Stokes equations with time-derivative preconditioning and preconditioned flux-difference splitting of the inviscid terms are used. First order derivatives are computed on cell faces and used to evaluate the shear stresses and heat fluxes. A new flux limiter uses these same first order derivatives in the evaluation of left and right states used in the flux-difference splitting. The k-epsilon turbulence equations are solved with the same second-order method. The new solver has been installed in a recent version of NCC and the resulting code has been tested successfully in 2D on two laminar cases with known solutions and one turbulent case with experimental data.

Experimental progress of a 4K VM/PT hybrid cryocooler for pre-cooling 1K sorption cooler

NASA Astrophysics Data System (ADS)

Pan, Changzhao; Zhang, Tong; Wang, Jue; Chen, Liubiao; Guo, Jia; Zhou, Yuan; Wang, Junjie

2017-12-01

Sub-kelvin refrigerator has many applications in space detector and manned space station, such as for the transition-edge superconducting (TES) bolometers operated in the 50 mK range. In order to meet the requirement of space applications, the high efficient, vibration free and high stability refrigerator need to be designed. VM/PT hybrid cryocooler is a new type cryocooler capable of attaining temperature below 4K. As a low frequency Stirling type cryocooler, it has the advantages of high stability and high efficiency. Combined with the vibration free sorption cooler and ADR refrigerator, a novel sub-kelvin cooling chain can be designed for the TES bolometer. This paper presents the recent experimental progress of the 4K VM/PT hybrid cryocooler in our laboratory. By optimizing of regenerators, phase shifters and heat exchangers, a lowest temperature of 2.6K was attained. Based on this cryocooler, a preliminary sorption cooler could be designed.

Analytical Bistatic k Space Images Compared to Experimental Swept Frequency EAR Images

NASA Technical Reports Server (NTRS)

Shaeffer, John; Cooper, Brett; Hom, Kam

2004-01-01

A case study of flat plate scattering images obtained by the analytical bistatic k space and experimental swept frequency ISAR methods is presented. The key advantage of the bistatic k space image is that a single excitation is required, i.e., one frequency I one angle. This means that prediction approaches such as MOM only need to compute one solution at a single frequency. Bistatic image Fourier transform data are obtained by computing the scattered field at various bistatic positions about the body in k space. Experimental image Fourier transform data are obtained from the measured response to a bandwidth of frequencies over a target rotation range.

Temperature-resolved study of three [M(M'O4)4(TBPO)4] complexes (MM' = URe, ThRe, ThTc).

PubMed

Helliwell, Madeleine; Collison, David; John, Gordon H; May, Iain; Sarsfield, Mark J; Sharrad, Clint A; Sutton, Andrew D

2006-02-01

The crystal structures of the title complexes were measured at several temperatures between room temperature and 100 K. Each sample shows reversible crystal-to-crystal phase transitions as the temperature is varied. The behaviour of [U(ReO4)4(TBPO)4] (I) and [Th(ReO4)4(TBPO)4] (II) (TBPO = tri-n-butylphosphine oxide) is very similar; at room temperature, crystals of (I) and (II) are isostructural, with space group I42m, and reducing the temperature to 100 K causes a lowering of the space-group symmetry to C-centred cells, space groups Cc for (I) and Cmc2(1) for (II). The variation of lattice symmetry of [Th(TcO4)4(TBPO)4] (III) was found to be somewhat different, with the body-centred cubic space group, I43m, occurring at 293 K, a reduction of symmetry at 230 K to the C-centred orthorhombic space group, Cmc2(1), and a further transition to the primitive orthorhombic space group, Pbc2(1), below 215 K. Elucidation of the correct space-group symmetry and the subsequent refinement was complicated in some cases by the twinning by pseudo-merohedry that arises from the lowering of the space-group symmetry, occurring as the temperature is reduced. All three of the crystal structures determined at room temperature have high atomic displacement parameters, particularly of the (n)Bu groups, and (III) shows disorder of some of the O atoms. The structures in the space group Cmc2(1), show some disorder of nBu groups, but are otherwise reasonably well ordered; the structures of (I) in Cc and (III) in Pbc2(1) are ordered, even to the ends of the alkyl chains. Inter-comparison of the structures measured below 293 K, using the program OFIT from the SHELXTL package, showed that generally, they are remarkably alike, with weighted r.m.s. deviations of the M, M' and P atoms of less than 0.1 A, as are the 293 K structures of (I) and (II) with their low-temperature counterparts. However, the structure of (III) measured in the space group Cmc2(1) is significantly different from both the structure of (III) at 293 K and that found below 215 K, with weighted r.m.s. deviations of the Th, Tc and P atoms of 0.40 and 0.37 A, respectively. An extensive network of weak intra- and intermolecular C-H...O hydrogen bonds found between the atoms of the nBu and [M'O4] groups probably influences the packing and the overall geometry of the molecules.

3D sensitivity encoded ellipsoidal MR spectroscopic imaging of gliomas at 3T☆

PubMed Central

Ozturk-Isik, Esin; Chen, Albert P.; Crane, Jason C.; Bian, Wei; Xu, Duan; Han, Eric T.; Chang, Susan M.; Vigneron, Daniel B.; Nelson, Sarah J.

2010-01-01

Purpose The goal of this study was to implement time efficient data acquisition and reconstruction methods for 3D magnetic resonance spectroscopic imaging (MRSI) of gliomas at a field strength of 3T using parallel imaging techniques. Methods The point spread functions, signal to noise ratio (SNR), spatial resolution, metabolite intensity distributions and Cho:NAA ratio of 3D ellipsoidal, 3D sensitivity encoding (SENSE) and 3D combined ellipsoidal and SENSE (e-SENSE) k-space sampling schemes were compared with conventional k-space data acquisition methods. Results The 3D SENSE and e-SENSE methods resulted in similar spectral patterns as the conventional MRSI methods. The Cho:NAA ratios were highly correlated (P<.05 for SENSE and P<.001 for e-SENSE) with the ellipsoidal method and all methods exhibited significantly different spectral patterns in tumor regions compared to normal appearing white matter. The geometry factors ranged between 1.2 and 1.3 for both the SENSE and e-SENSE spectra. When corrected for these factors and for differences in data acquisition times, the empirical SNRs were similar to values expected based upon theoretical grounds. The effective spatial resolution of the SENSE spectra was estimated to be same as the corresponding fully sampled k-space data, while the spectra acquired with ellipsoidal and e-SENSE k-space samplings were estimated to have a 2.36–2.47-fold loss in spatial resolution due to the differences in their point spread functions. Conclusion The 3D SENSE method retained the same spatial resolution as full k-space sampling but with a 4-fold reduction in scan time and an acquisition time of 9.28 min. The 3D e-SENSE method had a similar spatial resolution as the corresponding ellipsoidal sampling with a scan time of 4:36 min. Both parallel imaging methods provided clinically interpretable spectra with volumetric coverage and adequate SNR for evaluating Cho, Cr and NAA. PMID:19766422

An empirical model for polarized and cross-polarized scattering from a vegetation layer

NASA Technical Reports Server (NTRS)

Liu, H. L.; Fung, A. K.

1988-01-01

An empirical model for scattering from a vegetation layer above an irregular ground surface is developed in terms of the first-order solution for like-polarized scattering and the second-order solution for cross-polarized scattering. The effects of multiple scattering within the layer and at the surface-volume boundary are compensated by using a correction factor based on the matrix doubling method. The major feature of this model is that all parameters in the model are physical parameters of the vegetation medium. There are no regression parameters. Comparisons of this empirical model with theoretical matrix-doubling method and radar measurements indicate good agreements in polarization, angular trends, and k sub a up to 4, where k is the wave number and a is the disk radius. The computational time is shortened by a factor of 8, relative to the theoretical model calculation.

Gamow-Teller response in the configuration space of a density-functional-theory-rooted no-core configuration-interaction model

NASA Astrophysics Data System (ADS)

Konieczka, M.; Kortelainen, M.; Satuła, W.

2018-03-01

Background: The atomic nucleus is a unique laboratory in which to study fundamental aspects of the electroweak interaction. This includes a question concerning in medium renormalization of the axial-vector current, which still lacks satisfactory explanation. Study of spin-isospin or Gamow-Teller (GT) response may provide valuable information on both the quenching of the axial-vector coupling constant as well as on nuclear structure and nuclear astrophysics. Purpose: We have performed a seminal calculation of the GT response by using the no-core configuration-interaction approach rooted in multireference density functional theory (DFT-NCCI). The model treats properly isospin and rotational symmetries and can be applied to calculate both the nuclear spectra and transition rates in atomic nuclei, irrespectively of their mass and particle-number parity. Methods: The DFT-NCCI calculation proceeds as follows: First, one builds a configuration space by computing relevant, for a given physical problem, (multi)particle-(multi)hole Slater determinants. Next, one applies the isospin and angular-momentum projections and performs the isospin and K mixing in order to construct a model space composed of linearly dependent states of good angular momentum. Eventually, one mixes the projected states by solving the Hill-Wheeler-Griffin equation. Results: The method is applied to compute the GT strength distribution in selected N ≈Z nuclei including the p -shell 8Li and 8Be nuclei and the s d -shell well-deformed nucleus 24Mg. In order to demonstrate a flexibility of the approach we present also a calculation of the superallowed GT β decay in doubly-magic spherical 100Sn and the low-spin spectrum in 100In. Conclusions: It is demonstrated that the DFT-NCCI model is capable of capturing the GT response satisfactorily well by using a relatively small configuration space, exhausting simultaneously the GT sum rule. The model, due to its flexibility and broad range of applicability, may either serve as a complement or even as an alternative to other theoretical approaches, including the conventional nuclear shell model.

Removal of nuisance signals from limited and sparse 1H MRSI data using a union-of-subspaces model.

PubMed

Ma, Chao; Lam, Fan; Johnson, Curtis L; Liang, Zhi-Pei

2016-02-01

To remove nuisance signals (e.g., water and lipid signals) for (1) H MRSI data collected from the brain with limited and/or sparse (k, t)-space coverage. A union-of-subspace model is proposed for removing nuisance signals. The model exploits the partial separability of both the nuisance signals and the metabolite signal, and decomposes an MRSI dataset into several sets of generalized voxels that share the same spectral distributions. This model enables the estimation of the nuisance signals from an MRSI dataset that has limited and/or sparse (k, t)-space coverage. The proposed method has been evaluated using in vivo MRSI data. For conventional chemical shift imaging data with limited k-space coverage, the proposed method produced "lipid-free" spectra without lipid suppression during data acquisition at 130 ms echo time. For sparse (k, t)-space data acquired with conventional pulses for water and lipid suppression, the proposed method was also able to remove the remaining water and lipid signals with negligible residuals. Nuisance signals in (1) H MRSI data reside in low-dimensional subspaces. This property can be utilized for estimation and removal of nuisance signals from (1) H MRSI data even when they have limited and/or sparse coverage of (k, t)-space. The proposed method should prove useful especially for accelerated high-resolution (1) H MRSI of the brain. © 2015 Wiley Periodicals, Inc.

WE-G-17A-01: Improving Tracking Image Spatial Resolution for Onboard MR Image Guided Radiation Therapy Using the WHISKEE Technique

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

Hu, Y; Mutic, S; Du, D

Purpose: To evaluate the feasibility of using the weighted hybrid iterative spiral k-space encoded estimation (WHISKEE) technique to improve spatial resolution of tracking images for onboard MR image guided radiation therapy (MR-IGRT). Methods: MR tracking images of abdomen and pelvis had been acquired from healthy volunteers using the ViewRay onboard MRIGRT system (ViewRay Inc. Oakwood Village, OH) at a spatial resolution of 2.0mm*2.0mm*5.0mm. The tracking MR images were acquired using the TrueFISP sequence. The temporal resolution had to be traded off to 2 frames per second (FPS) to achieve the 2.0mm in-plane spatial resolution. All MR images were imported intomore » the MATLAB software. K-space data were synthesized through the Fourier Transform of the MR images. A mask was created to selected k-space points that corresponded to the under-sampled spiral k-space trajectory with an acceleration (or undersampling) factor of 3. The mask was applied to the fully sampled k-space data to synthesize the undersampled k-space data. The WHISKEE method was applied to the synthesized undersampled k-space data to reconstructed tracking MR images at 6 FPS. As a comparison, the undersampled k-space data were also reconstructed using the zero-padding technique. The reconstructed images were compared to the original image. The relatively reconstruction error was evaluated using the percentage of the norm of the differential image over the norm of the original image. Results: Compared to the zero-padding technique, the WHISKEE method was able to reconstruct MR images with better image quality. It significantly reduced the relative reconstruction error from 39.5% to 3.1% for the pelvis image and from 41.5% to 4.6% for the abdomen image at an acceleration factor of 3. Conclusion: We demonstrated that it was possible to use the WHISKEE method to expedite MR image acquisition for onboard MR-IGRT systems to achieve good spatial and temporal resolutions simultaneously. Y. Hu and O. green receive travel reimbursement from ViewRay. S. Mutic has consulting and research agreements with ViewRay. Q. Zeng, R. Nana, J.L. Patrick, S. Shvartsman and J.F. Dempsey are ViewRay employees.« less

Research on hotspot discovery in internet public opinions based on improved K-means.

PubMed

Wang, Gensheng

2013-01-01

How to discover hotspot in the Internet public opinions effectively is a hot research field for the researchers related which plays a key role for governments and corporations to find useful information from mass data in the Internet. An improved K-means algorithm for hotspot discovery in internet public opinions is presented based on the analysis of existing defects and calculation principle of original K-means algorithm. First, some new methods are designed to preprocess website texts, select and express the characteristics of website texts, and define the similarity between two website texts, respectively. Second, clustering principle and the method of initial classification centers selection are analyzed and improved in order to overcome the limitations of original K-means algorithm. Finally, the experimental results verify that the improved algorithm can improve the clustering stability and classification accuracy of hotspot discovery in internet public opinions when used in practice.

Research on Hotspot Discovery in Internet Public Opinions Based on Improved K-Means

PubMed Central

2013-01-01

How to discover hotspot in the Internet public opinions effectively is a hot research field for the researchers related which plays a key role for governments and corporations to find useful information from mass data in the Internet. An improved K-means algorithm for hotspot discovery in internet public opinions is presented based on the analysis of existing defects and calculation principle of original K-means algorithm. First, some new methods are designed to preprocess website texts, select and express the characteristics of website texts, and define the similarity between two website texts, respectively. Second, clustering principle and the method of initial classification centers selection are analyzed and improved in order to overcome the limitations of original K-means algorithm. Finally, the experimental results verify that the improved algorithm can improve the clustering stability and classification accuracy of hotspot discovery in internet public opinions when used in practice. PMID:24106496

The Late Integrated Sachs-Wolfe Effect and its detectability in galaxy-redshift surveys

NASA Astrophysics Data System (ADS)

Valencia-Díaz, D. R.; Muñoz-Cuartas, J. C.

2017-07-01

The late Integrated Sachs-Wolfe (ISW) effect is underwent by the Cosmic Microwave Background (CMB) photons due to the presence of the Large-Scale Structures (LSS) in an expanding Universe and can be measured through the temperature fluctuations of the CMB. In this work we use numerical simulations of structure formation to study the detectability of the ISW effect. Our method comprises the estimation of the density field through a Cloud-In-Cell mass assignment scheme. With the help of Fourier transforms we estimate the time derivative of the gravitational potential field in Fourier and in coordinate's space. Finally, this field is integrated numerically to know the ISW contribution. We study the time derivative of the potential in two approaches. First, an exact solution that makes use of the full velocity field. Second, a linear approximation related with the linear theory for the formation of LSS. We apply the method to three cosmological simulations. First, a box of 400 h-1 Mpc; second, the MultiDark1 simulation; third, the MultiDark-Plank simulation. For all cases we obtain coherent results with the expected in the literature for a ΛCDM cosmology: with the exact solution the temperature fluctuation is near the ± 30 μ K; the linear approximation shows a signal in the expected range of ± 20 μ K. This positive detection on simulations is important in order to know an expectation for the results we should obtain when working with observational data and will have important implications due to the lack of consensus about the detection of the ISW effect in previous works. Acknowledgements: This work was supported by Colciencias and Universidad de Antioquia, Convenio Beca-Pasantía Joven Investigador Convocatoria 645 de 2014.

Direct magnetic field estimation based on echo planar raw data.

PubMed

Testud, Frederik; Splitthoff, Daniel Nicolas; Speck, Oliver; Hennig, Jürgen; Zaitsev, Maxim

2010-07-01

Gradient recalled echo echo planar imaging is widely used in functional magnetic resonance imaging. The fast data acquisition is, however, very sensitive to field inhomogeneities which manifest themselves as artifacts in the images. Typically used correction methods have the common deficit that the data for the correction are acquired only once at the beginning of the experiment, assuming the field inhomogeneity distribution B(0) does not change over the course of the experiment. In this paper, methods to extract the magnetic field distribution from the acquired k-space data or from the reconstructed phase image of a gradient echo planar sequence are compared and extended. A common derivation for the presented approaches provides a solid theoretical basis, enables a fair comparison and demonstrates the equivalence of the k-space and the image phase based approaches. The image phase analysis is extended here to calculate the local gradient in the readout direction and improvements are introduced to the echo shift analysis, referred to here as "k-space filtering analysis." The described methods are compared to experimentally acquired B(0) maps in phantoms and in vivo. The k-space filtering analysis presented in this work demonstrated to be the most sensitive method to detect field inhomogeneities.

Genetic diversity of K-antigen gene clusters of Escherichia coli and their molecular typing using a suspension array.

PubMed

Yang, Shuang; Xi, Daoyi; Jing, Fuyi; Kong, Deju; Wu, Junli; Feng, Lu; Cao, Boyang; Wang, Lei

2018-04-01

Capsular polysaccharides (CPSs), or K-antigens, are the major surface antigens of Escherichia coli. More than 80 serologically unique K-antigens are classified into 4 groups (Groups 1-4) of capsules. Groups 1 and 4 contain the Wzy-dependent polymerization pathway and the gene clusters are in the order galF to gnd; Groups 2 and 3 contain the ABC-transporter-dependent pathway and the gene clusters consist of 3 regions, regions 1, 2 and 3. Little is known about the variations among the gene clusters. In this study, 9 serotypes of K-antigen gene clusters (K2ab, K11, K20, K24, K38, K84, K92, K96, and K102) were sequenced and correlated with their CPS chemical structures. On the basis of sequence data, a K-antigen-specific suspension array that detects 10 distinct CPSs, including the above 9 CPSs plus K30, was developed. This is the first report to catalog the genetic features of E. coli K-antigen variations and to develop a suspension array for their molecular typing. The method has a number of advantages over traditional bacteriophage and serum agglutination methods and lays the foundation for straightforward identification and detection of additional K-antigens in the future.

Coexistence of long-range cycloidal order and spin-cluster glass state in the multiferroic BaYFeO4.

PubMed

Ghara, Somnath; Sundaresan, A

2018-06-20

We report the presence of spin glass state below the cycloidal spin ordering in the multiferroic BaYFeO 4 . This compound is known to crystallize in an orthorhombic structure with a centrosymmetric space group Pnma and exhibits two successive antiferromagnetic phase transitions. Upon cooling, it undergoes a spin density wave (SDW)-like antiferromagnetic ordering at T N1 ~ 48 K and a cycloidal ordering at T N2 ~ 35 K. Using dc magnetic memory effect and magnetization relaxation studies, we have shown that this oxide undergoes a reentrant spin glass transition below T * ~ 17 K. Our analysis suggests the presence of spin clusters in the glassy state. The coexistence of spin-cluster glass and long-range cycloidal ordered states results in an exchange bias effect at 2 K. The origin of the glassy state has been attributed to freezing of some Fe 3+ moments, which do not participate in the long-range ordering.

Coexistence of long-range cycloidal order and spin-cluster glass state in the multiferroic BaYFeO4

NASA Astrophysics Data System (ADS)

Ghara, Somnath; Sundaresan, A.

2018-06-01

We report the presence of spin glass state below the cycloidal spin ordering in the multiferroic BaYFeO4. This compound is known to crystallize in an orthorhombic structure with a centrosymmetric space group Pnma and exhibits two successive antiferromagnetic phase transitions. Upon cooling, it undergoes a spin density wave (SDW)-like antiferromagnetic ordering at T N1 ~ 48 K and a cycloidal ordering at T N2 ~ 35 K. Using dc magnetic memory effect and magnetization relaxation studies, we have shown that this oxide undergoes a reentrant spin glass transition below T * ~ 17 K. Our analysis suggests the presence of spin clusters in the glassy state. The coexistence of spin-cluster glass and long-range cycloidal ordered states results in an exchange bias effect at 2 K. The origin of the glassy state has been attributed to freezing of some Fe3+ moments, which do not participate in the long-range ordering.

A Computational Procedure for Identifying Bilinear Representations of Nonlinear Systems Using Volterra Kernels

NASA Technical Reports Server (NTRS)

Kvaternik, Raymond G.; Silva, Walter A.

2008-01-01

A computational procedure for identifying the state-space matrices corresponding to discrete bilinear representations of nonlinear systems is presented. A key feature of the method is the use of first- and second-order Volterra kernels (first- and second-order pulse responses) to characterize the system. The present method is based on an extension of a continuous-time bilinear system identification procedure given in a 1971 paper by Bruni, di Pillo, and Koch. The analytical and computational considerations that underlie the original procedure and its extension to the title problem are presented and described, pertinent numerical considerations associated with the process are discussed, and results obtained from the application of the method to a variety of nonlinear problems from the literature are presented. The results of these exploratory numerical studies are decidedly promising and provide sufficient credibility for further examination of the applicability of the method.

Segmentation by fusion of histogram-based k-means clusters in different color spaces.

PubMed

Mignotte, Max

2008-05-01

This paper presents a new, simple, and efficient segmentation approach, based on a fusion procedure which aims at combining several segmentation maps associated to simpler partition models in order to finally get a more reliable and accurate segmentation result. The different label fields to be fused in our application are given by the same and simple (K-means based) clustering technique on an input image expressed in different color spaces. Our fusion strategy aims at combining these segmentation maps with a final clustering procedure using as input features, the local histogram of the class labels, previously estimated and associated to each site and for all these initial partitions. This fusion framework remains simple to implement, fast, general enough to be applied to various computer vision applications (e.g., motion detection and segmentation), and has been successfully applied on the Berkeley image database. The experiments herein reported in this paper illustrate the potential of this approach compared to the state-of-the-art segmentation methods recently proposed in the literature.

Coherent multi-heterodyne spectroscopy using acousto-optic frequency combs.

PubMed

Durán, Vicente; Schnébelin, Cȏme; Guillet de Chatellus, Hugues

2018-05-28

We propose and characterize experimentally a new source of optical frequency combs for performing multi-heterodyne spectrometry. This comb modality is based on a frequency-shifting loop seeded with a continuous-wave (CW) monochromatic laser. The comb lines are generated by successive passes of the CW laser through an acousto-optic frequency shifter. We report the generation of frequency combs with more than 1500 mutually coherent lines, without resorting to non-linear broadening phenomena or external electronic modulation. The comb line spacing is easily reconfigurable from tens of MHz down to the kHz region. We first use a single acousto-optic frequency comb to conduct self-heterodyne interferometry with a high frequency resolution (500 kHz). By increasing the line spacing to 80 MHz, we demonstrate molecular spectroscopy on the sub-millisecond time scale. In order to reduce the detection bandwidth, we subsequently implement an acousto-optic dual-comb spectrometer with the aid of two mutually coherent frequency shifting loops. In each architecture, the potentiality of acousto-optic frequency combs for spectroscopy is validated by spectral measurements of hydrogen cyanide in the near-infrared region.

Coherent multi-heterodyne spectroscopy using acousto-optic frequency combs

NASA Astrophysics Data System (ADS)

Durán, Vicente; Schnébelin, Cȏme; Guillet de Chatellus, Hugues

2018-05-01

We propose and characterize experimentally a new source of optical frequency combs for performing multi-heterodyne spectrometry. This comb modality is based on a frequency shifting loop seeded with a CW monochromatic laser. The comb lines are generated by successive passes of the CW laser through an acousto-optic frequency shifter. We report the generation of frequency combs with more than 1500 mutually coherent lines, without resorting to non-linear broadening phenomena or external electronic modulation. The comb line spacing is easily reconfigurable from tens of MHz down to the kHz region. We first use a single acousto-optic frequency comb to conduct self-heterodyne interferometry with a high frequency resolution (500 kHz). By increasing the line spacing to 80 MHz, we demonstrate molecular spectroscopy on the sub-millisecond time scale. In order to reduce the detection bandwidth, we subsequently implement an acousto-optic dual-comb spectrometer with the aid of two mutually coherent frequency shifting loops. In each architecture, the potentiality of acousto-optic frequency combs for spectroscopy is validated by spectral measurements of hydrogen cyanide in the near-infrared region.

Steady-state free precession with myocardial tagging: CSPAMM in a single breathhold.

PubMed

Zwanenburg, Jaco J M; Kuijer, Joost P A; Marcus, J Tim; Heethaar, Robert M

2003-04-01

A method is presented that combines steady-state free precession (SSFP) cine imaging with myocardial tagging. Before the tagging preparation at each ECG-R wave, the steady-state magnetization is stored as longitudinal magnetization by an alpha/2 flip-back pulse. Imaging is continued immediately after tagging preparation, using linearly increasing startup angles (LISA) with a rampup over 10 pulses. Interleaved segmented k-space ordering is used to prevent artifacts from the increasing signal during the LISA rampup. First, this LISA-SSFP method was evaluated regarding ghost artifacts from the steady-state interruption by comparing LISA with an alpha/2 startup method. Next, LISA-SSFP was compared with spoiled gradient echo (SGRE) imaging, regarding tag contrast-to-noise ratio and tag persistence. The measurements were performed in phantoms and in six subjects applying breathhold cine imaging with tagging (temporal resolution 51 ms). The results show that ghost artifacts are negligible for the LISA method. Compared to the SGRE reference, LISA-SSFP was two times faster, with a slightly better tag contrast-to-noise. Additionally, the tags persisted 126 ms longer with LISA-SSFP than with SGRE imaging. The high efficiency of LISA-SSFP enables the acquisition of complementary tagged (CSPAMM) images in a single breathhold. Copyright 2003 Wiley-Liss, Inc.

Responses of nutrient capture and fine root morphology of subalpine coniferous tree Picea asperata to nutrient heterogeneity and competition

PubMed Central

Nan, Hongwei; Liang, Jin; Cheng, Xinying; Zhao, ChunZhang; Yin, HuaJun; Yin, ChunYing; Liu, Qing

2017-01-01

Investigating the responses of trees to the heterogeneous distribution of nutrients in soil and simultaneous presence of neighboring roots could strengthen the understanding of an influential mechanism on tree growth and provide a scientific basis for forest management. Here, we conducted two split-pot experiments to investigate the effects of nutrient heterogeneity and intraspecific competition on the fine root morphology and nutrient capture of Picea asperata. The results showed that P. asperata efficiently captured nutrients by increasing the specific root length (SRL) and specific root area (SRA) of first-and second-order roots and decreasing the tissue density of first-order roots to avoid competition for resources and space with neighboring roots. The nutrient heterogeneity and addition of fertilization did not affect the fine root morphology, but enhanced the P and K concentrations in the fine roots in the absence of a competitor. On the interaction between nutrient heterogeneity and competition, competition decreased the SRL and SRA but enhanced the capture of K under heterogeneous soil compared with under homogeneous soil. Additionally, the P concentration, but not the K concentration, was linearly correlated to root morphology in heterogeneous soil, even when competition was present. The results suggested that root morphological features were only stimulated when the soil nutrients were insufficient for plant growth and the nutrients accumulations by root were mainly affected by the soil nutrients more than the root morphology. PMID:29095947

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

Okumura, Teppei; Seljak, Uroš; McDonald, Patrick

Measurement of redshift-space distortions (RSD) offers an attractive method to directly probe the cosmic growth history of density perturbations. A distribution function approach where RSD can be written as a sum over density weighted velocity moment correlators has recently been developed. In this paper we use results of N-body simulations to investigate the individual contributions and convergence of this expansion for dark matter. If the series is expanded as a function of powers of μ, cosine of the angle between the Fourier mode and line of sight, then there are a finite number of terms contributing at each order. Wemore » present these terms and investigate their contribution to the total as a function of wavevector k. For μ{sup 2} the correlation between density and momentum dominates on large scales. Higher order corrections, which act as a Finger-of-God (FoG) term, contribute 1% at k ∼ 0.015hMpc{sup −1}, 10% at k ∼ 0.05hMpc{sup −1} at z = 0, while for k > 0.15hMpc{sup −1} they dominate and make the total negative. These higher order terms are dominated by density-energy density correlations which contributes negatively to the power, while the contribution from vorticity part of momentum density auto-correlation adds to the total power, but is an order of magnitude lower. For μ{sup 4} term the dominant term on large scales is the scalar part of momentum density auto-correlation, while higher order terms dominate for k > 0.15hMpc{sup −1}. For μ{sup 6} and μ{sup 8} we find it has very little power for k < 0.15hMpc{sup −1}, shooting up by 2–3 orders of magnitude between k < 0.15hMpc{sup −1} and k < 0.4hMpc{sup −1}. We also compare the expansion to the full 2-d P{sup ss}(k,μ), as well as to the monopole, quadrupole, and hexadecapole integrals of P{sup ss}(k,μ). For these statistics an infinite number of terms contribute and we find that the expansion achieves percent level accuracy for kμ < 0.15hMpc{sup −1} at 6-th order, but breaks down on smaller scales because the series is no longer perturbative. We explore resummation of the terms into FoG kernels, which extend the convergence up to a factor of 2 in scale. We find that the FoG kernels are approximately Lorentzian with velocity dispersions around 600 km/s at z = 0.« less

Coincident structural and magnetic order in BaFe 2 ( As 1 - x P x ) 2 revealed by high-resolution neutron diffraction

DOE PAGES

Allred, J. M.; Taddei, K. M.; Bugaris, D. E.; ...

2014-09-19

We present neutron dffraction analysis of BaFe 2(As 1-xP x) 2 over a wide temperature (10 to 300 K) and compositional (0.11 < x < 0.79) range, including the normal state, the magnetically ordered state, and the superconducting state. The paramagnetic to spin-density wave and orthorhombic to tetragonal transitions are first order and coincident within the sensitivity of our measurements (~ 0:5 K). Extrapolation of the orthorhombic order parameter down to zero suggests that structural quantum criticality cannot exist at compositions higher than x = 0.28, which is much lower than values determined using other methods, but in good agreementmore » with our observations of the actual phase stability range. Lastly, the onset of spin-density wave order shows a stronger structural anomaly than the charge-doped system in the form of an enhancement of the c/a ratio below the transition.« less

Evolution of saturated hydraulic conductivity with compression and degradation for municipal solid waste.

PubMed

Ke, Han; Hu, Jie; Xu, Xiao Bing; Wang, Wen Fang; Chen, Yun Min; Zhan, Liang Tong

2017-07-01

Municipal solid waste (MSW) specimens were created from synthetic fresh MSW degraded in a laboratory scale enhanced degradation reactor. The degree of degradation and saturated hydraulic conductivity k s were measured to study the effects of compression and degradation on k s of MSW. The degree of degradation was characterized through the ratio of cellulose content to lignin content (i.e., C/L) and the loss ratio of volatile solid (i.e., DOD). k s of MSW specimens with different degrees of degradation was measured through triaxial permeameter tests under different confining pressures. It was found that, when the degradation time increased from 0month to 18months, k s decreased less than 1 order of magnitude for specimens with the same porosity (i.e., n=0.63 or 0.69). However, for specimens with the same degradation time, the decrease of k s could reach 2 orders of magnitude with n decreasing from 0.8 to 0.6. It indicates that compression has much greater influence on the reduction of k s than that of degradation. Based on the Kozeny-Carman model and first-order kinetics, a prediction model related to n and C/L (or DOD) of MSW was proposed to analyze the evolution of k s with compression and biodegradation. The methods to determine the values of model parameters were also proposed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Charge and orbital orders and structural instability in high-pressure quadruple perovskite CeCuMn6O12

NASA Astrophysics Data System (ADS)

Zhang, Lei; Matsushita, Yoshitaka; Katsuya, Yoshio; Tanaka, Masahiko; Yamaura, Kazunari; Belik, Alexei A.

2018-02-01

We prepared a quadruple perovskite CeCuMn6O12 under high-pressure and high-temperature conditions at 6 GPa and about 1670 K and investigated its structural, magnetic and transport properties. CeCuMn6O12 crystallizes in space group Im-3 above T CO  =  297 K below this temperature, it adopts space group R-3 with the 1:3 (Mn4+:Mn3+) charge and orbital orders. Unusual compressed Mn3+O6 octahedra are realized in CeCuMn6O12 similar to CaMn7O12 with the  -Q 3 Jahn-Teller distortion mode. Below about 90 K, structural instability takes place with phase separation and the appearance of competing phases; and below 70 K, two R-3 phases coexist. CeCuMn6O12 exhibits a ferromagnetic-like transition below T C  =  140 K, and it is a semiconductor with the magnetoresistance reaching about  -40% at 140 K and 70 kOe. We argued that the valence of Ce is  +3 in CeCuMn6O12 with the Ce3+(C{{u}2+}Mn23+ )(Mn33+M{{n}4+} )O12 charge distribution in the charge-ordered R-3 phase and Ce3+(C{{u}2+}Mn23+ )(Mn43.25+ )O12 in the charge-disordered Im-3 phase.

A discontinuous Galerkin method for the shallow water equations in spherical triangular coordinates

NASA Astrophysics Data System (ADS)

Läuter, Matthias; Giraldo, Francis X.; Handorf, Dörthe; Dethloff, Klaus

2008-12-01

A global model of the atmosphere is presented governed by the shallow water equations and discretized by a Runge-Kutta discontinuous Galerkin method on an unstructured triangular grid. The shallow water equations on the sphere, a two-dimensional surface in R3, are locally represented in terms of spherical triangular coordinates, the appropriate local coordinate mappings on triangles. On every triangular grid element, this leads to a two-dimensional representation of tangential momentum and therefore only two discrete momentum equations. The discontinuous Galerkin method consists of an integral formulation which requires both area (elements) and line (element faces) integrals. Here, we use a Rusanov numerical flux to resolve the discontinuous fluxes at the element faces. A strong stability-preserving third-order Runge-Kutta method is applied for the time discretization. The polynomial space of order k on each curved triangle of the grid is characterized by a Lagrange basis and requires high-order quadature rules for the integration over elements and element faces. For the presented method no mass matrix inversion is necessary, except in a preprocessing step. The validation of the atmospheric model has been done considering standard tests from Williamson et al. [D.L. Williamson, J.B. Drake, J.J. Hack, R. Jakob, P.N. Swarztrauber, A standard test set for numerical approximations to the shallow water equations in spherical geometry, J. Comput. Phys. 102 (1992) 211-224], unsteady analytical solutions of the nonlinear shallow water equations and a barotropic instability caused by an initial perturbation of a jet stream. A convergence rate of O(Δx) was observed in the model experiments. Furthermore, a numerical experiment is presented, for which the third-order time-integration method limits the model error. Thus, the time step Δt is restricted by both the CFL-condition and accuracy demands. Conservation of mass was shown up to machine precision and energy conservation converges for both increasing grid resolution and increasing polynomial order k.

Jacobi-Gauss-Lobatto collocation method for the numerical solution of 1+1 nonlinear Schrödinger equations

NASA Astrophysics Data System (ADS)

Doha, E. H.; Bhrawy, A. H.; Abdelkawy, M. A.; Van Gorder, Robert A.

2014-03-01

A Jacobi-Gauss-Lobatto collocation (J-GL-C) method, used in combination with the implicit Runge-Kutta method of fourth order, is proposed as a numerical algorithm for the approximation of solutions to nonlinear Schrödinger equations (NLSE) with initial-boundary data in 1+1 dimensions. Our procedure is implemented in two successive steps. In the first one, the J-GL-C is employed for approximating the functional dependence on the spatial variable, using (N-1) nodes of the Jacobi-Gauss-Lobatto interpolation which depends upon two general Jacobi parameters. The resulting equations together with the two-point boundary conditions induce a system of 2(N-1) first-order ordinary differential equations (ODEs) in time. In the second step, the implicit Runge-Kutta method of fourth order is applied to solve this temporal system. The proposed J-GL-C method, used in combination with the implicit Runge-Kutta method of fourth order, is employed to obtain highly accurate numerical approximations to four types of NLSE, including the attractive and repulsive NLSE and a Gross-Pitaevskii equation with space-periodic potential. The numerical results obtained by this algorithm have been compared with various exact solutions in order to demonstrate the accuracy and efficiency of the proposed method. Indeed, for relatively few nodes used, the absolute error in our numerical solutions is sufficiently small.

A Method for Calculating Viscosity and Thermal Conductivity of a Helium-Xenon Gas Mixture

NASA Technical Reports Server (NTRS)

Johnson, Paul K.

2006-01-01

A method for calculating viscosity and thermal conductivity of a helium-xenon (He-Xe) gas mixture was employed, and results were compared to AiResearch (part of Honeywell) analytical data. The method of choice was that presented by Hirschfelder with Singh's third-order correction factor applied to thermal conductivity. Values for viscosity and thermal conductivity were calculated over a temperature range of 400 to 1200 K for He-Xe gas mixture molecular weights of 20.183, 39.94, and 83.8 kg/kmol. First-order values for both transport properties were in good agreement with AiResearch analytical data. Third-order-corrected thermal conductivity values were all greater than AiResearch data, but were considered to be a better approximation of thermal conductivity because higher-order effects of mass and temperature were taken into consideration. Viscosity, conductivity, and Prandtl number were then compared to experimental data presented by Taylor.

Bayesian Framework Approach for Prognostic Studies in Electrolytic Capacitor under Thermal Overstress Conditions

DTIC Science & Technology

2012-09-01

make end of life ( EOL ) and remaining useful life (RUL) estimations. Model-based prognostics approaches perform these tasks with the help of first...in parameters Degradation Modeling Parameter estimation Prediction Thermal / Electrical Stress Experimental Data State Space model RUL EOL ...distribution at given single time point kP , and use this for multi-step predictions to EOL . There are several methods which exits for selecting the sigma

Uninterrupted optical light curves of main-belt asteroids from the K2 mission

NASA Astrophysics Data System (ADS)

Szabó, R.; Pál, A.; Sárneczky, K.; Szabó, Gy. M.; Molnár, L.; Kiss, L. L.; Hanyecz, O.; Plachy, E.; Kiss, Cs.

2016-11-01

Context. Because the second reaction wheel failed, a new mission was conceived for the otherwise healthy Kepler space telescope. In the course of the K2 mission, the telescope is staring at the plane of the Ecliptic. Thousands of solar system bodies therefore cross the K2 fields and usually cause additional noise in the highly accurate photometric data. Aims: We here follow the principle that some person's noise is another person's signal and investigate the possibility of deriving continuous asteroid light curves. This is the first such endeavor. In general, we are interested in the photometric precision that the K2 mission can deliver on moving solar system bodies. In particular, we investigate space photometric optical light curves of main-belt asteroids. Methods: We studied the K2 superstamps that cover the fields of M35, and Neptune together with Nereid, which were observed in the long-cadence mode (29.4 min sampling). Asteroid light curves were generated by applying elongated apertures. We used the Lomb-Scargle method to determine periodicities that are due to rotation. Results: We derived K2 light curves of 924 main-belt asteroids in the M35 field and 96 in the path of Neptune and Nereid. The light curves are quasi-continuous and several days long. K2 observations are sensitive to longer rotational periods than typical ground-based surveys. Rotational periods are derived for 26 main-belt asteroids for the first time. The asteroid sample is dominated by faint objects (>20 mag). Owing to the faintness of the asteroids and the high density of stars in the M35 field, only 4.0% of the asteroids with at least 12 data points show clear periodicities or trends that signal a long rotational period, as opposed to 15.9% in the less crowded Neptune field. We found that the duty cycle of the observations had to reach 60% to successfully recover rotational periods. Full Tables 1-4 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/596/A40

Physics-driven Spatiotemporal Regularization for High-dimensional Predictive Modeling: A Novel Approach to Solve the Inverse ECG Problem

NASA Astrophysics Data System (ADS)

Yao, Bing; Yang, Hui

2016-12-01

This paper presents a novel physics-driven spatiotemporal regularization (STRE) method for high-dimensional predictive modeling in complex healthcare systems. This model not only captures the physics-based interrelationship between time-varying explanatory and response variables that are distributed in the space, but also addresses the spatial and temporal regularizations to improve the prediction performance. The STRE model is implemented to predict the time-varying distribution of electric potentials on the heart surface based on the electrocardiogram (ECG) data from the distributed sensor network placed on the body surface. The model performance is evaluated and validated in both a simulated two-sphere geometry and a realistic torso-heart geometry. Experimental results show that the STRE model significantly outperforms other regularization models that are widely used in current practice such as Tikhonov zero-order, Tikhonov first-order and L1 first-order regularization methods.

High-order local maximum principle preserving (MPP) discontinuous Galerkin finite element method for the transport equation

NASA Astrophysics Data System (ADS)

Anderson, R.; Dobrev, V.; Kolev, Tz.; Kuzmin, D.; Quezada de Luna, M.; Rieben, R.; Tomov, V.

2017-04-01

In this work we present a FCT-like Maximum-Principle Preserving (MPP) method to solve the transport equation. We use high-order polynomial spaces; in particular, we consider up to 5th order spaces in two and three dimensions and 23rd order spaces in one dimension. The method combines the concepts of positive basis functions for discontinuous Galerkin finite element spatial discretization, locally defined solution bounds, element-based flux correction, and non-linear local mass redistribution. We consider a simple 1D problem with non-smooth initial data to explain and understand the behavior of different parts of the method. Convergence tests in space indicate that high-order accuracy is achieved. Numerical results from several benchmarks in two and three dimensions are also reported.

High-Order Semi-Discrete Central-Upwind Schemes for Multi-Dimensional Hamilton-Jacobi Equations

NASA Technical Reports Server (NTRS)

Bryson, Steve; Levy, Doron; Biegel, Bryan (Technical Monitor)

2002-01-01

We present the first fifth order, semi-discrete central upwind method for approximating solutions of multi-dimensional Hamilton-Jacobi equations. Unlike most of the commonly used high order upwind schemes, our scheme is formulated as a Godunov-type scheme. The scheme is based on the fluxes of Kurganov-Tadmor and Kurganov-Tadmor-Petrova, and is derived for an arbitrary number of space dimensions. A theorem establishing the monotonicity of these fluxes is provided. The spacial discretization is based on a weighted essentially non-oscillatory reconstruction of the derivative. The accuracy and stability properties of our scheme are demonstrated in a variety of examples. A comparison between our method and other fifth-order schemes for Hamilton-Jacobi equations shows that our method exhibits smaller errors without any increase in the complexity of the computations.

The Psychometrics of the Mini-K.

PubMed

Richardson, George B; Chen, Ching-Chen; Dai, Chia-Liang; Brubaker, Michael D; Nedelec, Joseph L

2017-01-01

Many published studies have employed the Mini-K to measure a single fast-slow life history dimension. However, the internal structure of the Mini-K has not been determined and it is not clear that a single higher order K-factor fits the data. It is also not clear that the Mini-K is measurement invariant across groups such as the sexes. To establish the construct validity of K as well as the broader usefulness of applying life history theory to humans, it is crucial that these psychometric issues are addressed as a part of measure validation efforts. Here we report on three studies that used latent variable modeling and data drawn from two college student samples ( ns = 361 and 300) to elucidate the psychometrics of the Mini-K. We found that (a) the Mini-K had a six dimensional first-order structure, (b) the K-factor provided a parsimonious explanation of the associations among the lower order factors at no significant cost to fit, (c) the Mini-K measured the same K-factor across the sexes, (d) K-factor means did not have the same meaning across the sexes and thus the first-order factors should be used in studies of mean sex differences, and finally, (e) the K-factor was only associated with environment and aspects of mating competition in females. Implications and future directions for life history research are discussed.

Time accurate application of the MacCormack 2-4 scheme on massively parallel computers

NASA Technical Reports Server (NTRS)

Hudson, Dale A.; Long, Lyle N.

1995-01-01

Many recent computational efforts in turbulence and acoustics research have used higher order numerical algorithms. One popular method has been the explicit MacCormack 2-4 scheme. The MacCormack 2-4 scheme is second order accurate in time and fourth order accurate in space, and is stable for CFL's below 2/3. Current research has shown that the method can give accurate results but does exhibit significant Gibbs phenomena at sharp discontinuities. The impact of adding Jameson type second, third, and fourth order artificial viscosity was examined here. Category 2 problems, the nonlinear traveling wave and the Riemann problem, were computed using a CFL number of 0.25. This research has found that dispersion errors can be significantly reduced or nearly eliminated by using a combination of second and third order terms in the damping. Use of second and fourth order terms reduced the magnitude of dispersion errors but not as effectively as the second and third order combination. The program was coded using Thinking Machine's CM Fortran, a variant of Fortran 90/High Performance Fortran, and was executed on a 2K CM-200. Simple extrapolation boundary conditions were used for both problems.

DEM interpolation weight calculation modulus based on maximum entropy

NASA Astrophysics Data System (ADS)

Chen, Tian-wei; Yang, Xia

2015-12-01

There is negative-weight in traditional interpolation of gridding DEM, in the article, the principle of Maximum Entropy is utilized to analyze the model system which depends on modulus of space weight. Negative-weight problem of the DEM interpolation is researched via building Maximum Entropy model, and adding nonnegative, first and second order's Moment constraints, the negative-weight problem is solved. The correctness and accuracy of the method was validated with genetic algorithm in matlab program. The method is compared with the method of Yang Chizhong interpolation and quadratic program. Comparison shows that the volume and scaling of Maximum Entropy's weight is fit to relations of space and the accuracy is superior to the latter two.

Multi-beamlet investigation of the deflection compensation methods of SPIDER beamlets

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

Baltador, C., E-mail: carlo.baltador@igi.cnr.it; Veltri, P.; Agostinetti, P.

2016-02-15

SPIDER (Source for Production of Ions of Deuterium Extracted from a Rf plasma) is an ion source test bed designed to extract and accelerate a negative ion current up to 40 A and 100 kV whose first beam is expected by the end of 2016. Two main effects perturb beamlet optics during the acceleration stage: space charge repulsion and the deflection induced by the permanent magnets (called co-extracted electron suppression magnets) embedded in the EG. The purpose of this work is to evaluate and compare benefits, collateral effects, and limitations of electrical and magnetic compensation methods for beamlet deflection. Themore » study of these methods has been carried out by means of numerical modeling tools: multi-beamlet simulations have been performed for the first time.« less

Multi-beamlet investigation of the deflection compensation methods of SPIDER beamlets

NASA Astrophysics Data System (ADS)

Baltador, C.; Veltri, P.; Agostinetti, P.; Chitarin, G.; Serianni, G.

2016-02-01

SPIDER (Source for Production of Ions of Deuterium Extracted from a Rf plasma) is an ion source test bed designed to extract and accelerate a negative ion current up to 40 A and 100 kV whose first beam is expected by the end of 2016. Two main effects perturb beamlet optics during the acceleration stage: space charge repulsion and the deflection induced by the permanent magnets (called co-extracted electron suppression magnets) embedded in the EG. The purpose of this work is to evaluate and compare benefits, collateral effects, and limitations of electrical and magnetic compensation methods for beamlet deflection. The study of these methods has been carried out by means of numerical modeling tools: multi-beamlet simulations have been performed for the first time.

First-order exchange coefficient coupling for simulating surface water-groundwater interactions: Parameter sensitivity and consistency with a physics-based approach

USGS Publications Warehouse

Ebel, B.A.; Mirus, B.B.; Heppner, C.S.; VanderKwaak, J.E.; Loague, K.

2009-01-01

Distributed hydrologic models capable of simulating fully-coupled surface water and groundwater flow are increasingly used to examine problems in the hydrologic sciences. Several techniques are currently available to couple the surface and subsurface; the two most frequently employed approaches are first-order exchange coefficients (a.k.a., the surface conductance method) and enforced continuity of pressure and flux at the surface-subsurface boundary condition. The effort reported here examines the parameter sensitivity of simulated hydrologic response for the first-order exchange coefficients at a well-characterized field site using the fully coupled Integrated Hydrology Model (InHM). This investigation demonstrates that the first-order exchange coefficients can be selected such that the simulated hydrologic response is insensitive to the parameter choice, while simulation time is considerably reduced. Alternatively, the ability to choose a first-order exchange coefficient that intentionally decouples the surface and subsurface facilitates concept-development simulations to examine real-world situations where the surface-subsurface exchange is impaired. While the parameters comprising the first-order exchange coefficient cannot be directly estimated or measured, the insensitivity of the simulated flow system to these parameters (when chosen appropriately) combined with the ability to mimic actual physical processes suggests that the first-order exchange coefficient approach can be consistent with a physics-based framework. Copyright ?? 2009 John Wiley & Sons, Ltd.

Threshold resummation of the rapidity distribution for Higgs production at NNLO +NNLL

NASA Astrophysics Data System (ADS)

Banerjee, Pulak; Das, Goutam; Dhani, Prasanna K.; Ravindran, V.

2018-03-01

We present a formalism that resums threshold-enhanced logarithms to all orders in perturbative QCD for the rapidity distribution of any colorless particle produced in hadron colliders. We achieve this by exploiting the factorization properties and K +G equations satisfied by the soft and virtual parts of the cross section. We compute for the first time compact and most general expressions in two-dimensional Mellin space for the resummed coefficients. Using various state-of-the-art multiloop and multileg results, we demonstrate the numerical impact of our resummed results up to next-to-next-to-leading order for the rapidity distribution of the Higgs boson at the LHC. We find that inclusion of these threshold logs through resummation improves the reliability of perturbative predictions.

A simple acquisition strategy to avoid off-resonance blurring in spiral imaging with redundant spiral-in/out k-space trajectories

PubMed Central

Fielden, Samuel W.; Meyer, Craig H.

2014-01-01

Purpose The major hurdle to widespread adoption of spiral trajectories has been their poor off-resonance performance. Here we present a self-correcting spiral k-space trajectory that avoids much of the well-known spiral blurring during data acquisition. Theory and Methods In comparison with a traditional spiral-out trajectory, the spiral-in/out trajectory has improved off-resonance performance. By combining two spiral-in/out acquisitions, one rotated 180° in k-space compared to the other, multi-shot spiral-in/out artifacts are eliminated. A phantom was scanned with the center frequency manually tuned 20, 40, 80, and 160 Hz off-resonance with both a spiral-out gradient echo sequence and the redundant spiral-in/out sequence. The phantom was also imaged in an oblique orientation in order to demonstrate improved concomitant gradient field performance of the sequence, and was additionally incorporated into a spiral turbo spin echo sequence for brain imaging. Results Phantom studies with manually-tuned off-resonance agree well with theoretical calculations, showing that moderate off-resonance is well-corrected by this acquisition scheme. Blur due to concomitant fields is reduced, and good results are obtained in vivo. Conclusion The redundant spiral-in/out trajectory results in less image blur for a given readout length than a traditional spiral-out scan, reducing the need for complex off-resonance correction algorithms. PMID:24604539

Atomic Decay Data for Modeling K Lines of Iron Peak and Light Odd-Z Elements*

NASA Technical Reports Server (NTRS)

Palmeri, P.; Quinet, P.; Mendoza, C.; Bautista, M. A.; Garcia, J.; Witthoeft, M. C.; Kallman, T. R.

2012-01-01

Complete data sets of level energies, transition wavelengths, A-values, radiative and Auger widths and fluorescence yields for K-vacancy levels of the F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn isonuclear sequences have been computed by a Hartree-Fock method that includes relativistic corrections as implemented in Cowan's atomic structure computer suite. The atomic parameters for more than 3 million fine-structure K lines have been determined. Ions with electron number N greater than 9 are treated for the first time, and detailed comparisons with available measurements and theoretical data for ions with N less than or equal to 9 are carried out in order to estimate reliable accuracy ratings.

On a class of Newton-like methods for solving nonlinear equations

NASA Astrophysics Data System (ADS)

Argyros, Ioannis K.

2009-06-01

We provide a semilocal convergence analysis for a certain class of Newton-like methods considered also in [I.K. Argyros, A unifying local-semilocal convergence analysis and applications for two-point Newton-like methods in Banach space, J. Math. Anal. Appl. 298 (2004) 374-397; I.K. Argyros, Computational theory of iterative methods, in: C.K. Chui, L. Wuytack (Eds.), Series: Studies in Computational Mathematics, vol. 15, Elsevier Publ. Co, New York, USA, 2007; J.E. Dennis, Toward a unified convergence theory for Newton-like methods, in: L.B. Rall (Ed.), Nonlinear Functional Analysis and Applications, Academic Press, New York, 1971], in order to approximate a locally unique solution of an equation in a Banach space. Using a combination of Lipschitz and center-Lipschitz conditions, instead of only Lipschitz conditions [F.A. Potra, Sharp error bounds for a class of Newton-like methods, Libertas Math. 5 (1985) 71-84], we provide an analysis with the following advantages over the work in [F.A. Potra, Sharp error bounds for a class of Newton-like methods, Libertas Math. 5 (1985) 71-84] which improved the works in [W.E. Bosarge, P.L. Falb, A multipoint method of third order, J. Optimiz. Theory Appl. 4 (1969) 156-166; W.E. Bosarge, P.L. Falb, Infinite dimensional multipoint methods and the solution of two point boundary value problems, Numer. Math. 14 (1970) 264-286; J.E. Dennis, On the Kantorovich hypothesis for Newton's method, SIAM J. Numer. Anal. 6 (3) (1969) 493-507; J.E. Dennis, Toward a unified convergence theory for Newton-like methods, in: L.B. Rall (Ed.), Nonlinear Functional Analysis and Applications, Academic Press, New York, 1971; H.J. Kornstaedt, Ein allgemeiner Konvergenzstaz fü r verschä rfte Newton-Verfahrem, in: ISNM, vol. 28, Birkhaü ser Verlag, Basel and Stuttgart, 1975, pp. 53-69; P. Laasonen, Ein überquadratisch konvergenter iterativer algorithmus, Ann. Acad. Sci. Fenn. Ser I 450 (1969) 1-10; F.A. Potra, On a modified secant method, L'analyse numérique et la theorie de l'approximation 8 (2) (1979) 203-214; F.A. Potra, An application of the induction method of V. Pták to the study of Regula Falsi, Aplikace Matematiky 26 (1981) 111-120; F.A. Potra, On the convergence of a class of Newton-like methods, in: Iterative Solution of Nonlinear Systems of Equations, in: Lecture Notes in Mathematics, vol. 953, Springer-Verlag, New York, 1982; F.A. Potra, V. Pták, Nondiscrete induction and double step secant method, Math. Scand. 46 (1980) 236-250; F.A. Potra, V. Pták, On a class of modified Newton processes, Numer. Funct. Anal. Optim. 2 (1) (1980) 107-120; F.A. Potra, Sharp error bounds for a class of Newton-like methods, Libertas Math. 5 (1985) 71-84; J.W. Schmidt, Untere Fehlerschranken für Regula-Falsi Verfahren, Period. Math. Hungar. 9 (3) (1978) 241-247; J.W. Schmidt, H. Schwetlick, Ableitungsfreie Verfhren mit höherer Konvergenzgeschwindifkeit, Computing 3 (1968) 215-226; J.F. Traub, Iterative Methods for the Solution of Equations, Prentice Hall, Englewood Cliffs, New Jersey, 1964; M.A. Wolfe, Extended iterative methods for the solution of operator equations, Numer. Math. 31 (1978) 153-174]: larger convergence domain and weaker sufficient convergence conditions. Numerical examples further validating the results are also provided.

Status of 20 kHz space station power distribution technology

NASA Technical Reports Server (NTRS)

Hansen, Irving G.

1988-01-01

Power Distribution on the NASA Space Station will be accomplished by a 20 kHz sinusoidal, 440 VRMS, single phase system. In order to minimize both system complexity and the total power coversion steps required, high frequency power will be distributed end-to-end in the system. To support the final design of flight power system hardware, advanced development and demonstrations have been made on key system technologies and components. The current status of this program is discussed.

On the reach of perturbative methods for dark matter density fields

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

Baldauf, Tobias; Zaldarriaga, Matias; Schaan, Emmanuel, E-mail: baldauf@ias.edu, E-mail: eschaan@astro.princeton.edu, E-mail: matiasz@ias.edu

We study the mapping from Lagrangian to Eulerian space in the context of the Effective Field Theory (EFT) of Large Scale Structure. We compute Lagrangian displacements with Lagrangian Perturbation Theory (LPT) and perform the full non-perturbative transformation from displacement to density. When expanded up to a given order, this transformation reproduces the standard Eulerian Perturbation Theory (SPT) at the same order. However, the full transformation from displacement to density also includes higher order terms. These terms explicitly resum long wavelength motions, thus making the resulting density field better correlated with the true non-linear density field. As a result, the regimemore » of validity of this approach is expected to extend that of the Eulerian EFT, and match that of the IR-resummed Eulerian EFT. This approach thus effectively enables a test of the IR-resummed EFT at the field level. We estimate the size of stochastic, non-perturbative contributions to the matter density power spectrum. We find that in our highest order calculation, at redshift z = 0 the power spectrum of the density field is reproduced with an accuracy of 1% (10%) up to k = 0.25 hMpc{sup −1} (k = 0.46 hMpc{sup −1}). We believe that the dominant source of the remaining error is the stochastic contribution. Unfortunately, on these scales the stochastic term does not yet scale as k{sup 4} as it does in the very low k regime. Thus, modeling this contribution might be challenging.« less

Vessel Segmentation in Retinal Images Using Multi-scale Line Operator and K-Means Clustering.

PubMed

Saffarzadeh, Vahid Mohammadi; Osareh, Alireza; Shadgar, Bita

2014-04-01

Detecting blood vessels is a vital task in retinal image analysis. The task is more challenging with the presence of bright and dark lesions in retinal images. Here, a method is proposed to detect vessels in both normal and abnormal retinal fundus images based on their linear features. First, the negative impact of bright lesions is reduced by using K-means segmentation in a perceptive space. Then, a multi-scale line operator is utilized to detect vessels while ignoring some of the dark lesions, which have intensity structures different from the line-shaped vessels in the retina. The proposed algorithm is tested on two publicly available STARE and DRIVE databases. The performance of the method is measured by calculating the area under the receiver operating characteristic curve and the segmentation accuracy. The proposed method achieves 0.9483 and 0.9387 localization accuracy against STARE and DRIVE respectively.

Quantum-secret-sharing scheme based on local distinguishability of orthogonal multiqudit entangled states

NASA Astrophysics Data System (ADS)

Wang, Jingtao; Li, Lixiang; Peng, Haipeng; Yang, Yixian

2017-02-01

In this study, we propose the concept of judgment space to investigate the quantum-secret-sharing scheme based on local distinguishability (called LOCC-QSS). Because of the proposing of this conception, the property of orthogonal mutiqudit entangled states under restricted local operation and classical communication (LOCC) can be described more clearly. According to these properties, we reveal that, in the previous (k ,n )-threshold LOCC-QSS scheme, there are two required conditions for the selected quantum states to resist the unambiguous attack: (i) their k -level judgment spaces are orthogonal, and (ii) their (k -1 )-level judgment spaces are equal. Practically, if k

Thermal stresses and deflections of cross-ply laminated plates using refined plate theories

NASA Technical Reports Server (NTRS)

Khdeir, A. A.; Reddy, J. N.

1991-01-01

Exact analytical solutions of refined plate theories are developed to study the thermal stresses and deflections of cross-ply rectangular plates. The state-space approach in conjunction with the Levy method is used to solve exactly the governing equations of the theories under various boundary conditions. Numerical results of the higher-order theory of Reddy for thermal stresses and deflections are compared with those obtained using the classical and first-order plate theories.

Clinical outcomes for patients finished with the SureSmile™ method compared with conventional fixed orthodontic therapy.

PubMed

Alford, Timothy J; Roberts, W Eugene; Hartsfield, James K; Eckert, George J; Snyder, Ronald J

2011-05-01

Utilize American Board of Orthodontics (ABO) cast/radiographic evaluation (CRE) to compare a series of 63 consecutive patients, finished with manual wire bending (conventional) treatment, vs a subsequent series of 69 consecutive patients, finished by the same orthodontist using the SureSmile™ (SS) method. Records of 132 nonextraction patients were scored by a calibrated examiner blinded to treatment mode. Age and discrepancy index (DI) between groups were compared by t-tests. A chi-square test was used to compare for differences in sex and whether the patient was treated using braces only (no orthopedic correction). Analysis of covariance tested for differences in CRE outcomes and treatment times, with sex and DI included as covariates. A logarithmic transformation of CRE outcomes and treatment times was used because their distributions were skewed. Significance was defined as P < .05. Compared with conventional finishing, SS patients had significantly lower DI scores, less treatment time (∼7 months), and better CRE scores for first-order alignment-rotation and interproximal space closure; however, second-order root angulation (RA) was inferior. SS patients were treated in less time to better CRE scores for first-order rotation (AR) and interproximal space closure (IC) but on the average, malocclusions were less complex and second order root alignment was inferior, compared with patients finished with manual wire bending.

Some error bounds for K-iterated Gaussian recursive filters

NASA Astrophysics Data System (ADS)

Cuomo, Salvatore; Galletti, Ardelio; Giunta, Giulio; Marcellino, Livia

2016-10-01

Recursive filters (RFs) have achieved a central role in several research fields over the last few years. For example, they are used in image processing, in data assimilation and in electrocardiogram denoising. More in particular, among RFs, the Gaussian RFs are an efficient computational tool for approximating Gaussian-based convolutions and are suitable for digital image processing and applications of the scale-space theory. As is a common knowledge, the Gaussian RFs, applied to signals with support in a finite domain, generate distortions and artifacts, mostly localized at the boundaries. Heuristic and theoretical improvements have been proposed in literature to deal with this issue (namely boundary conditions). They include the case in which a Gaussian RF is applied more than once, i.e. the so called K-iterated Gaussian RFs. In this paper, starting from a summary of the comprehensive mathematical background, we consider the case of the K-iterated first-order Gaussian RF and provide the study of its numerical stability and some component-wise theoretical error bounds.

On the Hodge-type decomposition and cohomology groups of k-Cauchy-Fueter complexes over domains in the quaternionic space

NASA Astrophysics Data System (ADS)

Chang, Der-Chen; Markina, Irina; Wang, Wei

2016-09-01

The k-Cauchy-Fueter operator D0(k) on one dimensional quaternionic space H is the Euclidean version of spin k / 2 massless field operator on the Minkowski space in physics. The k-Cauchy-Fueter equation for k ≥ 2 is overdetermined and its compatibility condition is given by the k-Cauchy-Fueter complex. In quaternionic analysis, these complexes play the role of Dolbeault complex in several complex variables. We prove that a natural boundary value problem associated to this complex is regular. Then by using the theory of regular boundary value problems, we show the Hodge-type orthogonal decomposition, and the fact that the non-homogeneous k-Cauchy-Fueter equation D0(k) u = f on a smooth domain Ω in H is solvable if and only if f satisfies the compatibility condition and is orthogonal to the set ℋ(k)1 (Ω) of Hodge-type elements. This set is isomorphic to the first cohomology group of the k-Cauchy-Fueter complex over Ω, which is finite dimensional, while the second cohomology group is always trivial.

Efficiently computing exact geodesic loops within finite steps.

PubMed

Xin, Shi-Qing; He, Ying; Fu, Chi-Wing

2012-06-01

Closed geodesics, or geodesic loops, are crucial to the study of differential topology and differential geometry. Although the existence and properties of closed geodesics on smooth surfaces have been widely studied in mathematics community, relatively little progress has been made on how to compute them on polygonal surfaces. Most existing algorithms simply consider the mesh as a graph and so the resultant loops are restricted only on mesh edges, which are far from the actual geodesics. This paper is the first to prove the existence and uniqueness of geodesic loop restricted on a closed face sequence; it contributes also with an efficient algorithm to iteratively evolve an initial closed path on a given mesh into an exact geodesic loop within finite steps. Our proposed algorithm takes only an O(k) space complexity and an O(mk) time complexity (experimentally), where m is the number of vertices in the region bounded by the initial loop and the resultant geodesic loop, and k is the average number of edges in the edge sequences that the evolving loop passes through. In contrast to the existing geodesic curvature flow methods which compute an approximate geodesic loop within a predefined threshold, our method is exact and can apply directly to triangular meshes without needing to solve any differential equation with a numerical solver; it can run at interactive speed, e.g., in the order of milliseconds, for a mesh with around 50K vertices, and hence, significantly outperforms existing algorithms. Actually, our algorithm could run at interactive speed even for larger meshes. Besides the complexity of the input mesh, the geometric shape could also affect the number of evolving steps, i.e., the performance. We motivate our algorithm with an interactive shape segmentation example shown later in the paper.

ARK: Aggregation of Reads by K-Means for Estimation of Bacterial Community Composition.

PubMed

Koslicki, David; Chatterjee, Saikat; Shahrivar, Damon; Walker, Alan W; Francis, Suzanna C; Fraser, Louise J; Vehkaperä, Mikko; Lan, Yueheng; Corander, Jukka

2015-01-01

Estimation of bacterial community composition from high-throughput sequenced 16S rRNA gene amplicons is a key task in microbial ecology. Since the sequence data from each sample typically consist of a large number of reads and are adversely impacted by different levels of biological and technical noise, accurate analysis of such large datasets is challenging. There has been a recent surge of interest in using compressed sensing inspired and convex-optimization based methods to solve the estimation problem for bacterial community composition. These methods typically rely on summarizing the sequence data by frequencies of low-order k-mers and matching this information statistically with a taxonomically structured database. Here we show that the accuracy of the resulting community composition estimates can be substantially improved by aggregating the reads from a sample with an unsupervised machine learning approach prior to the estimation phase. The aggregation of reads is a pre-processing approach where we use a standard K-means clustering algorithm that partitions a large set of reads into subsets with reasonable computational cost to provide several vectors of first order statistics instead of only single statistical summarization in terms of k-mer frequencies. The output of the clustering is then processed further to obtain the final estimate for each sample. The resulting method is called Aggregation of Reads by K-means (ARK), and it is based on a statistical argument via mixture density formulation. ARK is found to improve the fidelity and robustness of several recently introduced methods, with only a modest increase in computational complexity. An open source, platform-independent implementation of the method in the Julia programming language is freely available at https://github.com/dkoslicki/ARK. A Matlab implementation is available at http://www.ee.kth.se/ctsoftware.

Probability techniques for reliability analysis of composite materials

NASA Technical Reports Server (NTRS)

Wetherhold, Robert C.; Ucci, Anthony M.

1994-01-01

Traditional design approaches for composite materials have employed deterministic criteria for failure analysis. New approaches are required to predict the reliability of composite structures since strengths and stresses may be random variables. This report will examine and compare methods used to evaluate the reliability of composite laminae. The two types of methods that will be evaluated are fast probability integration (FPI) methods and Monte Carlo methods. In these methods, reliability is formulated as the probability that an explicit function of random variables is less than a given constant. Using failure criteria developed for composite materials, a function of design variables can be generated which defines a 'failure surface' in probability space. A number of methods are available to evaluate the integration over the probability space bounded by this surface; this integration delivers the required reliability. The methods which will be evaluated are: the first order, second moment FPI methods; second order, second moment FPI methods; the simple Monte Carlo; and an advanced Monte Carlo technique which utilizes importance sampling. The methods are compared for accuracy, efficiency, and for the conservativism of the reliability estimation. The methodology involved in determining the sensitivity of the reliability estimate to the design variables (strength distributions) and importance factors is also presented.

Supercomputer modeling of flow past hypersonic flight vehicles

NASA Astrophysics Data System (ADS)

Ermakov, M. K.; Kryukov, I. A.

2017-02-01

A software platform for MPI-based parallel solution of the Navier-Stokes (Euler) equations for viscous heat-conductive compressible perfect gas on 3-D unstructured meshes is developed. The discretization and solution of the Navier-Stokes equations are constructed on generalized S.K. Godunov’s method and the second order approximation in space and time. Developed software platform allows to carry out effectively flow past hypersonic flight vehicles simulations for the Mach numbers 6 and higher, and numerical meshes with up to 1 billion numerical cells and with up to 128 processors.

Nature and evolution of incommensurate charge order in manganites visualized with cryogenic scanning transmission electron microscopy

PubMed Central

Savitzky, Benjamin H.; Admasu, Alemayehu S.; Kim, Jaewook; Cheong, Sang-Wook; Hovden, Robert; Kourkoutis, Lena F.

2018-01-01

Incommensurate charge order in hole-doped oxides is intertwined with exotic phenomena such as colossal magnetoresistance, high-temperature superconductivity, and electronic nematicity. Here, we map, at atomic resolution, the nature of incommensurate charge–lattice order in a manganite using scanning transmission electron microscopy at room temperature and cryogenic temperature (∼93 K). In diffraction, the ordering wave vector changes upon cooling, a behavior typically associated with incommensurate order. However, using real space measurements, we discover that the ordered state forms lattice-locked regions over a few wavelengths interspersed with phase defects and changing periodicity. The cations undergo picometer-scale (∼6 pm to 11 pm) transverse displacements, suggesting that charge–lattice coupling is strong. We further unearth phase inhomogeneity in the periodic lattice displacements at room temperature, and emergent phase coherence at 93 K. Such local phase variations govern the long-range correlations of the charge-ordered state and locally change the periodicity of the modulations, resulting in wave vector shifts in reciprocal space. These atomically resolved observations underscore the importance of lattice coupling and phase inhomogeneity, and provide a microscopic explanation for putative “incommensurate” order in hole-doped oxides. PMID:29382750

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

Broda, Jill Terese

The neutron flux across the nuclear reactor core is of interest to reactor designers and others. The diffusion equation, an integro-differential equation in space and energy, is commonly used to determine the flux level. However, the solution of a simplified version of this equation when automated is very time consuming. Since the flux level changes with time, in general, this calculation must be made repeatedly. Therefore solution techniques that speed the calculation while maintaining accuracy are desirable. One factor that contributes to the solution time is the spatial flux shape approximation used. It is common practice to use the samemore » order flux shape approximation in each energy group even though this method may not be the most efficient. The one-dimensional, two-energy group diffusion equation was solved, for the node average flux and core k-effective, using two sets of spatial shape approximations for each of three reactor types. A fourth-order approximation in both energy groups forms the first set of approximations used. The second set used combines a second-order approximation with a fourth-order approximation in energy group two. Comparison of the results from the two approximation sets show that the use of a different order spatial flux shape approximation results in considerable loss in accuracy for the pressurized water reactor modeled. However, the loss in accuracy is small for the heavy water and graphite reactors modeled. The use of different order approximations in each energy group produces mixed results. Further investigation into the accuracy and computing time is required before any quantitative advantage of the use of the second-order approximation in energy group one and the fourth-order approximation in energy group two can be determined.« less

Harmonic maps of S into a complex Grassmann manifold.

PubMed

Chern, S S; Wolfson, J

1985-04-01

Let G(k, n) be the Grassmann manifold of all C(k) in C(n), the complex spaces of dimensions k and n, respectively, or, what is the same, the manifold of all projective spaces P(k-1) in P(n-1), so that G(1, n) is the complex projective space P(n-1) itself. We study harmonic maps of the two-dimensional sphere S(2) into G(k, n). The case k = 1 has been the subject of investigation by several authors [see, for example, Din, A. M. & Zakrzewski, W. J. (1980) Nucl. Phys. B 174, 397-406; Eells, J. & Wood, J. C. (1983) Adv. Math. 49, 217-263; and Wolfson, J. G. Trans. Am. Math. Soc., in press]. The harmonic maps S(2) --> G(2, 4) have been studied by Ramanathan [Ramanathan, J. (1984) J. Differ. Geom. 19, 207-219]. We shall describe all harmonic maps S(2) --> G(2, n). The method is based on several geometrical constructions, which lead from a given harmonic map to new harmonic maps, in which the image projective spaces are related by "fundamental collineations." The key result is the degeneracy of some fundamental collineations, which is a global consequence, following from the fact that the domain manifold is S(2). The method extends to G(k, n).

Imidazole C-2 Hydrogen/Deuterium Exchange Reaction at Histidine for Probing Protein Structure and Function with MALDI Mass Spectrometry

PubMed Central

Hayashi, Naoka; Kuyama, Hiroki; Nakajima, Chihiro; Kawahara, Kazuki; Miyagi, Masaru; Nishimura, Osamu; Matsuo, Hisayuki; Nakazawa, Takashi

2015-01-01

We present a mass spectrometric method for analyzing protein structure and function, based on the imidazole C-2 or histidine Cε1 hydrogen/deuterium (H/D) exchange reaction, which is intrinsically second order with respect to the concentrations of the imidazolium cation and OD− in D2O. The second-order rate constant (k2) of this reaction was calculated from the pH-dependency of the pseudo-first-order rate constant (kφ) obtained from the change of average mass ΔMr (0 ≤ ΔMr < 1) of a peptide fragment containing a defined histidine residue at incubation time (t) such that kφ = − [ln(1−ΔMr)]/t. We preferred using k2 rather than kφ because k2max (maximal value of k2) was empirically related to pKa as illustrated with a Brønsted plot: logk2max=-0.7pKa+α (α is an arbitrary constant), so that we could analyze the effect of structure on the H/D-exchange rate in terms of log(k2max/k2) representing the deviation of k2 from k2max. In the catalytic site of bovine ribonuclease A, His12 showed much larger change in log(k2max/k2) compared with His119 upon binding with cytidine 3′-monophosphate, as anticipated from the X-ray structures and the possible change in solvent accessibility. However, there is a need of considering the hydrogen bonds of the imidazole group with non-dissociable groups to interpret an extremely slow H/D exchange rate of His48 in partially solvent-exposed situation. PMID:24606199

Theory of low-power ultra-broadband terahertz sideband generation in bi-layer graphene.

PubMed

Crosse, J A; Xu, Xiaodong; Sherwin, Mark S; Liu, R B

2014-09-24

In a semiconductor illuminated by a strong terahertz (THz) field, optically excited electron-hole pairs can recombine to emit light in a broad frequency comb evenly spaced by twice the THz frequency. Such high-order THz sideband generation is of interest both as an example of extreme nonlinear optics and also as a method for ultrafast electro-optical modulation. So far, this phenomenon has only been observed with large field strengths (~10 kV cm(-1)), an obstacle for technological applications. Here we predict that bi-layer graphene generates high-order sidebands at much weaker THz fields. We find that a THz field of strength 1 kV cm(-1) can produce a high-sideband spectrum of about 30 THz, 100 times broader than in GaAs. The sidebands are generated despite the absence of classical collisions, with the quantum coherence of the electron-hole pairs enabling recombination. These remarkable features lower the barrier to desktop electro-optical modulation at THz frequencies, facilitating ultrafast optical communications.

Fast metabolite identification with Input Output Kernel Regression.

PubMed

Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

2016-06-15

An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. celine.brouard@aalto.fi Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press.

Fast metabolite identification with Input Output Kernel Regression

PubMed Central

Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

2016-01-01

Motivation: An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. Results: We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. Availability and implementation: Contact: celine.brouard@aalto.fi Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27307628

Seismic Endoscopy: Design of New Instruments

NASA Astrophysics Data System (ADS)

Conil, F.; Nicollin, F.; Gibert, D.

2003-04-01

In order to perform 3D images around shallow-depth boreholes, in conditions in the field and within reasonable times of data acquisitions, several instrumental developments have been performed. The first development concerns the design of a directional probe working in the 20-100 kHz frequency range; the idea is to create a tool composed of multiple elementary piezoelectric entities able to cover the whole space to explore; made of special polyurethane rigid foam with excellent attenuation performances, the prototypes are covered by flexible polyurethane electric resin. By multiplying the number of elementary receptors around the vertical axes and piling up each elementary sensor, a complete design of multi-azimuth and multi-offset has been concepted. In addition to this, a test site has been built in order to obtain a controlled medium at typical scales of interest for seismic endoscopy and dedicated to experiment near the conditions in the field. Various reflectors are placed in well known positions and filled in an homogeneous cement medium; the whole edifice (2.2 m in diameter and 8 metres in depth) also contains 4 PVC tubes to simulate boreholes. The second part of this instrumental developments concern the synthesis of input signals; indeed, many modern devices used in ultrasonic experiment have non linear output response outside their nominal range: this is especially true in geophysical acoustical experiments when high acoustical power is necessary to insonify deep geological targets. Thanks to the high speed electronic and computerised devices now available, it is possible to plug in experimental set-ups into non linear inversions algorithms like simulated annealing. First experiments showed the robustness of the method in case of non linear analogic architecture. Large wavelet families have or example been constructed thanks to the method and multiscale Non Destructive Testing Method have been performed as an efficient method to detect and characterise discontinuities or velocities variations of a material.

Crystal structure and anisotropic magnetic properties of new ferromagnetic Kondo lattice compound Ce(Cu,Al,Si)2

NASA Astrophysics Data System (ADS)

Maurya, A.; Thamizhavel, A.; Dhar, S. K.; Provino, A.; Pani, M.; Costa, G. A.

2017-03-01

Single crystals of the new compound CeCu0.18Al0.24Si1.58 have been grown by high-temperature solution growth method using a eutectic Al-Si mixture as flux. This compound is derived from the binary CeSi2 (tetragonal α-ThSi2-type, Pearson symbol tI12, space group I41/amd) obtained by partial substitution of Si by Cu and Al atoms but showing full occupation of the Si crystal site (8e). While CeSi2 is a well-known valence-fluctuating paramagnetic compound, the CeCu0.18Al0.24Si1.58 phase orders ferromagnetically at TC=9.3 K. At low temperatures the easy-axis of magnetization is along the a-axis, which re-orients itself along the c-axis above 30 K. The presence of hysteresis in the magnetization curve, negative temperature coefficient of resistivity at high temperatures, reduced jump in the heat capacity and a relatively lower entropy released up to the ordering temperature, and enhanced Sommerfeld coefficient (≈100 mJ/mol K2) show that CeCu0.18Al0.24Si1.58 is a Kondo lattice ferromagnetic, moderate heavy fermion compound. Analysis of the high temperature heat capacity data in the paramagnetic region lets us infer that the crystal electric field split doublet levels are located at 178 and 357 K, respectively, and Kondo temperature (8.4 K) is of the order of TC in CeCu0.18Al0.24Si1.58.

Anharmonic phonon-phonon scattering modeling of three-dimensional atomistic transport: An efficient quantum treatment

NASA Astrophysics Data System (ADS)

Lee, Y.; Bescond, M.; Logoteta, D.; Cavassilas, N.; Lannoo, M.; Luisier, M.

2018-05-01

We propose an efficient method to quantum mechanically treat anharmonic interactions in the atomistic nonequilibrium Green's function simulation of phonon transport. We demonstrate that the so-called lowest-order approximation, implemented through a rescaling technique and analytically continued by means of the Padé approximants, can be used to accurately model third-order anharmonic effects. Although the paper focuses on a specific self-energy, the method is applicable to a very wide class of physical interactions. We apply this approach to the simulation of anharmonic phonon transport in realistic Si and Ge nanowires with uniform or discontinuous cross sections. The effect of increasing the temperature above 300 K is also investigated. In all the considered cases, we are able to obtain a good agreement with the routinely adopted self-consistent Born approximation, at a remarkably lower computational cost. In the more complicated case of high temperatures (≫300 K), we find that the first-order Richardson extrapolation applied to the sequence of the Padé approximants N -1 /N results in a significant acceleration of the convergence.

Fractal kinetics of radiation-induced point-defect formation and decay in amorphous insulators: Application to color centers in silica-based optical fibers

NASA Astrophysics Data System (ADS)

Griscom, David L.

2001-11-01

Formalisms have been developed to express the time evolution of bimolecular processes taking place in fractal spaces. These ``stretched-second-order'' solutions are specifically applicable to radiation-induced electron-hole pairs and/or vacancy-interstitial pairs in insulating glasses. Like the analogous Kohlrausch-type (stretched-first-order) expressions, the present solutions are functions of (kt)β, where 0<β<1, k is an effective rate coefficient, and t is time. Both the new second-order formalism and the familiar Kohlrausch approach have been used to fit experimental data (induced optical absorptions in silica-based glasses monitored at selected wavelengths) that serve as proxies for the numbers of color centers created by γ irradiation and/or destroyed by processes involving thermal, optical, or γ-ray activation. Two material systems were investigated: (1) optical fibers with Ge-doped-silica cores and (2) fibers with low-OH/low-chloride pure-silica cores. Successful fits of the growth curves for the Ge-doped-silica-core fibers at four widely separated dose rates were accomplished using solutions for color-center concentrations, N[(kt)β], which approach steady-state values, Nsat, as t-->∞. The parametrization of these fits reveals some unexpected, and potentially useful, empirical rules regarding the dose-rate dependences of β, k, and Nsat in the fractal regime (0<β<1). Similar, though possibly not identical, rules evidently apply to color centers in the pure-silica-core fibers as well. In both material systems, there appear to be fractal<==> classical phase transitions at certain threshold values of dose rate, below which the dose-rate dependencies of k and Nsat revert to those specified by classical (β=1) first- or second-order kinetics. For kt<<1, both the first- and second-order fractal kinetic growth curves become identical, i.e., N((kt)β)~Atβ, where the coefficient A depends on dose rate but not kinetic order. It is found empirically that A depends on the 3β/2 power of dose rate in both first- and second-order kinetics, thus ``accidentally'' becoming linearly proportional to dose rate in cases where β~2/3 (characteristic of random fractals and many disordered materials). If interfering dose-rate-independent components are absent, it is possible to distinguish the order of the kinetics from the shapes of the growth and decay curves in both fractal and classical regimes. However, for reasons that are discussed, the parameters that successfully fit the experimental growth curves could not be used as bases for closed-form predictions of the shapes of the decay curves recorded when the irradiation is interrupted.

Texture analysis with statistical methods for wheat ear extraction

NASA Astrophysics Data System (ADS)

Bakhouche, M.; Cointault, F.; Gouton, P.

2007-01-01

In agronomic domain, the simplification of crop counting, necessary for yield prediction and agronomic studies, is an important project for technical institutes such as Arvalis. Although the main objective of our global project is to conceive a mobile robot for natural image acquisition directly in a field, Arvalis has proposed us first to detect by image processing the number of wheat ears in images before to count them, which will allow to obtain the first component of the yield. In this paper we compare different texture image segmentation techniques based on feature extraction by first and higher order statistical methods which have been applied on our images. The extracted features are used for unsupervised pixel classification to obtain the different classes in the image. So, the K-means algorithm is implemented before the choice of a threshold to highlight the ears. Three methods have been tested in this feasibility study with very average error of 6%. Although the evaluation of the quality of the detection is visually done, automatic evaluation algorithms are currently implementing. Moreover, other statistical methods of higher order will be implemented in the future jointly with methods based on spatio-frequential transforms and specific filtering.

Order reduction, identification and localization studies of dynamical systems

NASA Astrophysics Data System (ADS)

Ma, Xianghong

In this thesis methods are developed for performing order reduction, system identification and induction of nonlinear localization in complex mechanical dynamic systems. General techniques are proposed for constructing low-order models of linear and nonlinear mechanical systems; in addition, novel mechanical designs are considered for inducing nonlinear localization phenomena for the purpose of enhancing their dynamical performance. The thesis is in three major parts. In the first part, the transient dynamics of an impulsively loaded multi-bay truss is numerically computed by employing the Direct Global Matrix (DGM) approach. The approach is applicable to large-scale flexible structures with periodicity. Karhunen-Loeve (K-L) decomposition is used to discretize the dynamics of the truss and to create the low-order models of the truss. The leading order K-L modes are recovered by an experiment, which shows the feasibility of K-L based order reduction technique. In the second part of the thesis, nonlinear localization in dynamical systems is studied through two applications. In the seismic base isolation study, it is shown that the dynamics are sensitive to the presence of nonlinear elements and that passive motion confinement can be induced under proper design. In the coupled rod system, numerical simulation of the transient dynamics shows that a nonlinear backlash spring can induce either nonlinear localization or delocalization in the form of beat phenomena. K-L decomposition and poincare maps are utilized to study the nonlinear effects. The study shows that nonlinear localization can be induced in complex structures through backlash. In the third and final part of the thesis, a new technique based on Green!s function method is proposed to identify the dynamics of practical bolted joints. By modeling the difference between the dynamics of the bolted structure and the corresponding unbolted one, one constructs a nonparametric model for the joint dynamics. Two applications are given with a bolted beam and a truss joint in order to show the applicability of the technique.

Constraining cosmic curvature by using age of galaxies and gravitational lenses

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

Rana, Akshay; Mahajan, Shobhit; Mukherjee, Amitabha

We use two model-independent methods to constrain the curvature of the universe. In the first method, we study the evolution of the curvature parameter (Ω {sub k} {sup 0}) with redshift by using the observations of the Hubble parameter and transverse comoving distances obtained from the age of galaxies. Secondly, we also use an indirect method based on the mean image separation statistics of gravitationally lensed quasars. The basis of this methodology is that the average image separation of lensed images will show a positive, negative or zero correlation with the source redshift in a closed, open or flat universemore » respectively. In order to smoothen the datasets used in both the methods, we use a non-parametric method namely, Gaussian Process (GP). Finally from first method we obtain Ω {sub k} {sup 0} = 0.025±0.57 for a presumed flat universe while the cosmic curvature remains constant throughout the redshift region 0 < z < 1.37 which indicates that the universe may be homogeneous. Moreover, the combined result from both the methods suggests that the universe is marginally closed. However, a flat universe can be incorporated at 3σ level.« less

Accurate Projection Methods for the Incompressible Navier–Stokes Equations

DOE PAGES

Brown, David L.; Cortez, Ricardo; Minion, Michael L.

2001-04-10

This paper considers the accuracy of projection method approximations to the initial–boundary-value problem for the incompressible Navier–Stokes equations. The issue of how to correctly specify numerical boundary conditions for these methods has been outstanding since the birth of the second-order methodology a decade and a half ago. It has been observed that while the velocity can be reliably computed to second-order accuracy in time and space, the pressure is typically only first-order accurate in the L ∞-norm. Here, we identify the source of this problem in the interplay of the global pressure-update formula with the numerical boundary conditions and presentsmore » an improved projection algorithm which is fully second-order accurate, as demonstrated by a normal mode analysis and numerical experiments. In addition, a numerical method based on a gauge variable formulation of the incompressible Navier–Stokes equations, which provides another option for obtaining fully second-order convergence in both velocity and pressure, is discussed. The connection between the boundary conditions for projection methods and the gauge method is explained in detail.« less

Magnetic and dielectric properties of Fe3BO6 nanoplates prepared through self-combustion method

NASA Astrophysics Data System (ADS)

Kumari, Kalpana

In the present investigation, a facile synthesis method is explored involving a self-combustion of a solid precursor mixture of iron oxide Fe2O3 and boric acid (H3BO3) using camphor (C10H16O) as fuel in ambient air in order to form a single phase Fe3BO6 crystallites. X-ray diffraction (XRD), Field emission electron microscopy (FESEM), magnetic, and dielectric properties of as prepared sample are studied. From XRD pattern, a single phase compound is observed with an orthorhombic crystal structure (Pnma space group), with average crystallite size of 42nm. A reasonably uniform size distribution of the plates and self-assemblies is retained in the sample. A magnetic transition is observed in dielectric permittivity (at ˜445K) and power loss (at ˜435K) when plotted against temperature. A weak peak occurs near 330K due to the charge reordering in the sample. For temperatures above the transition temperature, a sharp increase of the dielectric loss is observed which occurs due to the presence of thermally activated charge carriers. A canted antiferromagnetic Fe3+ ordering in a Fe3BO6 lattice with a localized charge surface layer is an apparent source of exhibiting a ferroelectric feature in this unique example of a centrosymmetric compound. An induced spin current over the Fe sites thus could give rise to a polarization hysteresis loop. Due to the presence of both ferromagnetic as well as polarization ordering, Fe3BO6 behaves like a single phase multiferroic ceramics.

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

Jibben, Zechariah Joel; Herrmann, Marcus

Here, we present a Runge-Kutta discontinuous Galerkin method for solving conservative reinitialization in the context of the conservative level set method. This represents an extension of the method recently proposed by Owkes and Desjardins [21], by solving the level set equations on the refined level set grid and projecting all spatially-dependent variables into the full basis used by the discontinuous Galerkin discretization. By doing so, we achieve the full k+1 order convergence rate in the L1 norm of the level set field predicted for RKDG methods given kth degree basis functions when the level set profile thickness is held constantmore » with grid refinement. Shape and volume errors for the 0.5-contour of the level set, on the other hand, are found to converge between first and second order. We show a variety of test results, including the method of manufactured solutions, reinitialization of a circle and sphere, Zalesak's disk, and deforming columns and spheres, all showing substantial improvements over the high-order finite difference traditional level set method studied for example by Herrmann. We also demonstrate the need for kth order accurate normal vectors, as lower order normals are found to degrade the convergence rate of the method.« less

Numerical Model of Multiple Scattering and Emission from Layering Snowpack for Microwave Remote Sensing

NASA Astrophysics Data System (ADS)

Jin, Y.; Liang, Z.

2002-12-01

The vector radiative transfer (VRT) equation is an integral-deferential equation to describe multiple scattering, absorption and transmission of four Stokes parameters in random scatter media. From the integral formal solution of VRT equation, the lower order solutions, such as the first-order scattering for a layer medium or the second order scattering for a half space, can be obtained. The lower order solutions are usually good at low frequency when high-order scattering is negligible. It won't be feasible to continue iteration for obtaining high order scattering solution because too many folds integration would be involved. In the space-borne microwave remote sensing, for example, the DMSP (Defense Meterological Satellite Program) SSM/I (Special Sensor Microwave/Imager) employed seven channels of 19, 22, 37 and 85GHz. Multiple scattering from the terrain surfaces such as snowpack cannot be neglected at these channels. The discrete ordinate and eigen-analysis method has been studied to take into account for multiple scattering and applied to remote sensing of atmospheric precipitation, snowpack etc. Snowpack was modeled as a layer of dense spherical particles, and the VRT for a layer of uniformly dense spherical particles has been numerically studied by the discrete ordinate method. However, due to surface melting and refrozen crusts, the snowpack undergoes stratifying to form inhomegeneous profiles of the ice grain size, fractional volume and physical temperature etc. It becomes necessary to study multiple scattering and emission from stratified snowpack of dense ice grains. But, the discrete ordinate and eigen-analysis method cannot be simply applied to multi-layers model, because numerically solving a set of multi-equations of VRT is difficult. Stratifying the inhomogeneous media into multi-slabs and employing the first order Mueller matrix of each thin slab, this paper developed an iterative method to derive high orders scattering solutions of whole scatter media. High order scattering and emission from inhomogeneous stratifying media of dense spherical particles are numerically obtained. The brightness temperature at low frequency such as 5.3 GHz without high order scattering and at SSM/I channels with high order scattering are obtained. This approach is also compared with the conventional discrete ordinate method for an uniform layer model. Numerical simulation for inhomogeneous snowpack is also compared with the measurements of microwave remote sensing.

Finite element dynamic analysis of soft tissues using state-space model.

PubMed

Iorga, Lucian N; Shan, Baoxiang; Pelegri, Assimina A

2009-04-01

A finite element (FE) model is employed to investigate the dynamic response of soft tissues under external excitations, particularly corresponding to the case of harmonic motion imaging. A solid 3D mixed 'u-p' element S8P0 is implemented to capture the near-incompressibility inherent in soft tissues. Two important aspects in structural modelling of these tissues are studied; these are the influence of viscous damping on the dynamic response and, following FE-modelling, a developed state-space formulation that valuates the efficiency of several order reduction methods. It is illustrated that the order of the mathematical model can be significantly reduced, while preserving the accuracy of the observed system dynamics. Thus, the reduced-order state-space representation of soft tissues for general dynamic analysis significantly reduces the computational cost and provides a unitary framework for the 'forward' simulation and 'inverse' estimation of soft tissues. Moreover, the results suggest that damping in soft-tissue is significant, effectively cancelling the contribution of all but the first few vibration modes.

Study of the Kinetics and Equilibrium of the Adsorption of Oils onto Hydrophobic Jute Fiber Modified via the Sol-Gel Method.

PubMed

Lv, Na; Wang, Xiaoli; Peng, Shitao; Zhang, Huaqin; Luo, Lei

2018-05-12

A new kind of hydrophobic and oil sorbent based on jute fiber was successfully prepared by the integration of silica onto a fiber surface via the sol-gel method and subsequent hydrophobic modification with octadecyltrichlorosilane (OTS). Compared with the hydrophilic raw fiber, the modified fiber had a water contact angle (CA) of 136.2°, suggesting that the material has good hydrophobicity. Furthermore, the ability of oil in the oil/water system (taking diesel for example) to absorb was revealed by the kinetics, the isotherm equation, and the thermodynamic parameters. Adsorption behavior was kinetically investigated using pseudo first-order and pseudo second-order models. The data mostly correlated with the pseudo first-order model. The equilibrium adsorption at 298 K was assessed by using the Langmuir and Freundlich isotherm models. The Freundlich model had greater consistency with the experimental data. The obtained thermodynamic parameters demonstrate that the adsorption of diesel is spontaneous, favorable, and exothermic.

The protonation of N2O reexamined - A case study on the reliability of various electron correlation methods for minima and transition states

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Lee, Timothy J.

1993-01-01

The protonation of N2O and the intramolecular proton transfer in N2OH(+) are studied using various basis sets and a variety of methods, including second-order many-body perturbation theory (MP2), singles and doubles coupled cluster (CCSD), the augmented coupled cluster (CCSD/T/), and complete active space self-consistent field (CASSCF) methods. For geometries, MP2 leads to serious errors even for HNNO(+); for the transition state, only CCSD/T/ produces a reliable geometry due to serious nondynamical correlation effects. The proton affinity at 298.15 K is estimated at 137.6 kcal/mol, in close agreement with recent experimental determinations of 137.3 +/- 1 kcal/mol.

SU-G-TeP1-15: Toward a Novel GPU Accelerated Deterministic Solution to the Linear Boltzmann Transport Equation

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

Yang, R; Fallone, B; Cross Cancer Institute, Edmonton, AB

Purpose: To develop a Graphic Processor Unit (GPU) accelerated deterministic solution to the Linear Boltzmann Transport Equation (LBTE) for accurate dose calculations in radiotherapy (RT). A deterministic solution yields the potential for major speed improvements due to the sparse matrix-vector and vector-vector multiplications and would thus be of benefit to RT. Methods: In order to leverage the massively parallel architecture of GPUs, the first order LBTE was reformulated as a second order self-adjoint equation using the Least Squares Finite Element Method (LSFEM). This produces a symmetric positive-definite matrix which is efficiently solved using a parallelized conjugate gradient (CG) solver. Themore » LSFEM formalism is applied in space, discrete ordinates is applied in angle, and the Multigroup method is applied in energy. The final linear system of equations produced is tightly coupled in space and angle. Our code written in CUDA-C was benchmarked on an Nvidia GeForce TITAN-X GPU against an Intel i7-6700K CPU. A spatial mesh of 30,950 tetrahedral elements was used with an S4 angular approximation. Results: To avoid repeating a full computationally intensive finite element matrix assembly at each Multigroup energy, a novel mapping algorithm was developed which minimized the operations required at each energy. Additionally, a parallelized memory mapping for the kronecker product between the sparse spatial and angular matrices, including Dirichlet boundary conditions, was created. Atomicity is preserved by graph-coloring overlapping nodes into separate kernel launches. The one-time mapping calculations for matrix assembly, kronecker product, and boundary condition application took 452±1ms on GPU. Matrix assembly for 16 energy groups took 556±3s on CPU, and 358±2ms on GPU using the mappings developed. The CG solver took 93±1s on CPU, and 468±2ms on GPU. Conclusion: Three computationally intensive subroutines in deterministically solving the LBTE have been formulated on GPU, resulting in two orders of magnitude speedup. Funding support from Natural Sciences and Engineering Research Council and Alberta Innovates Health Solutions. Dr. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).« less

An automated method for tracking clouds in planetary atmospheres

NASA Astrophysics Data System (ADS)

Luz, D.; Berry, D. L.; Roos-Serote, M.

2008-05-01

We present an automated method for cloud tracking which can be applied to planetary images. The method is based on a digital correlator which compares two or more consecutive images and identifies patterns by maximizing correlations between image blocks. This approach bypasses the problem of feature detection. Four variations of the algorithm are tested on real cloud images of Jupiter's white ovals from the Galileo mission, previously analyzed in Vasavada et al. [Vasavada, A.R., Ingersoll, A.P., Banfield, D., Bell, M., Gierasch, P.J., Belton, M.J.S., Orton, G.S., Klaasen, K.P., Dejong, E., Breneman, H.H., Jones, T.J., Kaufman, J.M., Magee, K.P., Senske, D.A. 1998. Galileo imaging of Jupiter's atmosphere: the great red spot, equatorial region, and white ovals. Icarus, 135, 265, doi:10.1006/icar.1998.5984]. Direct correlation, using the sum of squared differences between image radiances as a distance estimator (baseline case), yields displacement vectors very similar to this previous analysis. Combining this distance estimator with the method of order ranks results in a technique which is more robust in the presence of outliers and noise and of better quality. Finally, we introduce a distance metric which, combined with order ranks, provides results of similar quality to the baseline case and is faster. The new approach can be applied to data from a number of space-based imaging instruments with a non-negligible gain in computing time.

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

Alves, L. M. S., E-mail: leandro-fisico@hotmail.com; Lima, B. S. de; Santos, C. A. M. dos

K{sub 0.05}MoO{sub 2} has been studied by x-ray and neutron diffractometry, electrical resistivity, magnetization, heat capacity, and thermal expansion measurements. The compound displays two phase transitions, a first-order phase transition near room temperature and a second-order transition near 54 K. Below the transition at 54 K, a weak magnetic anomaly is observed and the electrical resistivity is well described by a power-law temperature dependence with exponent near 0.5. The phase transitions in the K-doped MoO{sub 2} compound have been discussed for the first time using neutron diffraction, high resolution thermal expansion, and heat capacity measurements as a function of temperature.

Utilization of the k-space Computational Method to Design an Intracavitary Transrectal Ultrasound Phased Array Applicator for Hyperthermia Treatment of Prostate Cancer

NASA Astrophysics Data System (ADS)

Al-Bataineh, Osama M.; Collins, Christopher M.; Sparrow, Victor W.; Keolian, Robert M.; Smith, Nadine Barrie

2006-05-01

This research utilizes the k-space computational method to design an intracavitary probe for hyperthermia treatment of prostate cancer. A three-dimensional (3D) photographical prostate model, utilizing imaging data from the Visible Human Project®, was the basis for inhomogeneous acoustical model development. The acoustical model accounted for sound speed, density, and absorption variations. The k-space computational method was used to simulate ultrasound wave propagation of the designed phased array through the acoustical model. To insure the uniformity and spread of the pressure in the length of the array, and the steering and focusing capability in the width of the array, the equal-sized elements of the phased array were 1 × 14 mm. The anatomical measurements of the prostate were used to predict the final phased array specifications (4 × 20 planar array, 1.2 MHz, element size = 1 × 14 mm, array size = 56 × 20 mm). Good agreement between the exposimetry and the k-space results was achieved. As an example, the -3 dB distances of the focal volume were differing by 9.1% in the propagation direction for k-space prostate simulation and exposimetry results. Temperature simulations indicated that the rectal wall temperature was elevated less than 2°C during hyperthermia treatment. Steering and focusing ability of the designed probe, in both azimuth and propagation directions, were found to span the entire prostate volume with minimal grating lobes (-10 dB reduction from the main lobe) and least heat damage to the rectal wall. Evaluations of the probe included ex vivo and in vivo controlled experiments to deliver the required thermal dose to the targeted tissue. With a desired temperature plateau of 43.0°C, the MRI temperature results at the steady state were 42.9 ± 0.38°C and 43.1 ± 0.80°C for ex vivo and in vivo experiments, respectively. Unlike conventional computational methods, the k-space method provides a powerful tool to predict pressure wavefield and temperature rise in sophisticated, large scale, 3D, inhomogeneous and coarse grid models.

Dynamic earthquake rupture simulations on nonplanar faults embedded in 3D geometrically complex, heterogeneous elastic solids

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

Duru, Kenneth, E-mail: kduru@stanford.edu; Dunham, Eric M.; Institute for Computational and Mathematical Engineering, Stanford University, Stanford, CA

Dynamic propagation of shear ruptures on a frictional interface in an elastic solid is a useful idealization of natural earthquakes. The conditions relating discontinuities in particle velocities across fault zones and tractions acting on the fault are often expressed as nonlinear friction laws. The corresponding initial boundary value problems are both numerically and computationally challenging. In addition, seismic waves generated by earthquake ruptures must be propagated for many wavelengths away from the fault. Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods. We present a high order accurate finite difference method for: a)more » enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration; b) dynamic propagation of earthquake ruptures along nonplanar faults; and c) accurate propagation of seismic waves in heterogeneous media with free surface topography. We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts (SBP) finite difference operators in space. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. The finite difference stencils used in this paper are sixth order accurate in the interior and third order accurate close to the boundaries. However, the method is applicable to any spatial operator with a diagonal norm satisfying the SBP property. Time stepping is performed with a 4th order accurate explicit low storage Runge–Kutta scheme, thus yielding a globally fourth order accurate method in both space and time. We show numerical simulations on band limited self-similar fractal faults revealing the complexity of rupture dynamics on rough faults.« less

Dynamic earthquake rupture simulations on nonplanar faults embedded in 3D geometrically complex, heterogeneous elastic solids

NASA Astrophysics Data System (ADS)

Duru, Kenneth; Dunham, Eric M.

2016-01-01

Dynamic propagation of shear ruptures on a frictional interface in an elastic solid is a useful idealization of natural earthquakes. The conditions relating discontinuities in particle velocities across fault zones and tractions acting on the fault are often expressed as nonlinear friction laws. The corresponding initial boundary value problems are both numerically and computationally challenging. In addition, seismic waves generated by earthquake ruptures must be propagated for many wavelengths away from the fault. Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods. We present a high order accurate finite difference method for: a) enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration; b) dynamic propagation of earthquake ruptures along nonplanar faults; and c) accurate propagation of seismic waves in heterogeneous media with free surface topography. We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts (SBP) finite difference operators in space. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. The finite difference stencils used in this paper are sixth order accurate in the interior and third order accurate close to the boundaries. However, the method is applicable to any spatial operator with a diagonal norm satisfying the SBP property. Time stepping is performed with a 4th order accurate explicit low storage Runge-Kutta scheme, thus yielding a globally fourth order accurate method in both space and time. We show numerical simulations on band limited self-similar fractal faults revealing the complexity of rupture dynamics on rough faults.

A geometrical upper bound on the inflaton range

NASA Astrophysics Data System (ADS)

Cicoli, Michele; Ciupke, David; Mayrhofer, Christoph; Shukla, Pramod

2018-05-01

We argue that in type IIB LVS string models, after including the leading order moduli stabilisation effects, the moduli space for the remaining flat directions is compact due the Calabi-Yau Kähler cone conditions. In cosmological applications, this gives an inflaton field range which is bounded from above, in analogy with recent results from the weak gravity and swampland conjectures. We support our claim by explicitly showing that it holds for all LVS vacua with h 1,1 = 3 obtained from 4-dimensional reflexive polytopes. In particular, we first search for all Calabi-Yau threefolds from the Kreuzer-Skarke list with h 1,1 = 2, 3 and 4 which allow for LVS vacua, finding several new LVS geometries which were so far unknown. We then focus on the h 1,1 = 3 cases and show that the Kähler cones of all toric hypersurface threefolds force the effective 1-dimensional LVS moduli space to be compact. We find that the moduli space size can generically be trans-Planckian only for K3 fibred examples.

Theory, Characterization and Applications of Infrared Hyperbolic Metamaterials

NASA Astrophysics Data System (ADS)

Fullager, Daniel B.

Hyperbolic Metamaterials (HMMs) are engineered structures capable of supporting lightmatter interactions that are not normally observed in naturally occuring material systems. These unusual responses are enabled by an enhancement of the photonic density of states (PDOS) in the material. The PDOS enhancement is a result of deliberately introduced anisotropy via a permittivity sign-change in HMM structures which increases the number and frequency spread of possible wave vectors that propagate in the material. Subwavelength structural features allow effective medium theories to be invoked to construct the k-space isofrequency quadratic curves that, for HMMs, result in the k-space isofrequency contour transitioning from being a bounded surface to an unbounded one. Since the PDOS is the integral of the differential volume between k-space contours, unbounded manifolds lead to the implication of an infinite or otherwise drastically enhanced PDOS. Since stored heat can be thought of as a set of non-radiative electromagnetic modes, in this dissertation we demonstrate that HMMs provide an ideal platform to attempt to modify the thermal/IR emissivity of a material. We also show that HMMs provide a platform for broadband plasmonic sensing. The advent of commercial two photon polymerization tools has enabled the rapid production of nano- and microstructures which can be used as scaffolds for directive infrared scatterers. We describe how such directive components can be used to address thermal management needs in vacuum environments in order to maximize radiative thermal transfer. In this context, the fundamental limitations of enhanced spon- taneous emission due to conjugate impedance matched scatterers are also explored. The HMM/conjugate scatterer system's performance is strongly correlated with the dielectric function of the negative permittivity component of the HMM. In order to fully understand the significance of these engineered materials, we examine in detail the electromagnetic response of one ternary material system, aluminium-doped zinc oxide (AZO), whose tuneable plasma frequency makes it ideal for HMM and thermal transfer applications. This study draws upon first principle calculations from the open literature utilizing a Hubbard-U corrected model for the non-local interaction of charge carriers in AZO crystalline systems. We present the first complete dielectric function of industrially produced AZO samples from DC to 30,000 cm -1 and conclude with an assessment of this material's suitability fo the applications described.

A fast Laplace solver approach to pore scale permeability

NASA Astrophysics Data System (ADS)

Arns, Christoph; Adler, Pierre

2017-04-01

The permeability of a porous medium can be derived by solving the Stokes equations in the pore space with no slip at the walls. The resulting velocity averaged over the pore volume yields the permeability KS by application of the Darcy law. The Stokes equations can be solved by a number of different techniques such as finite differences, finite volume, Lattice Boltzmann, but whatever the technique it remains a heavy task since there are four unknowns at each node (the three velocity components and the pressure) which necessitate the solution of four equations (the projection of Newton's law on each axis and mass conservation). By comparison, the Laplace equation is scalar with a single unknown at each node. The objective of this work is to replace the Stokes equations by an elliptical equation with a space dependent permeability. More precisely, the local permeability k is supposed to be proportional to (r-alpha)**2 where r is the distance of the voxel to the closest wall, and alpha a constant; k is zero in the solid phase. The elliptical equation is div(k gradp)=0. A macroscopic pressure gradient is assumed to be exerted on the medium and again the resulting velocity averaged over space yields a permeability K_L. In order to validate this method, systematic calculations have been performed. First, elementary shapes (plane channel, circular pipe, rectangular channels) were studied for which flow occurs along parallel lines in which case KL is the arithmetic average of the k's. KL was calculated for various discretizations of the pore space and various values of alpha. For alpha=0.5, the agreement with the exact analytical value of KS is excellent for the plane and rectangular channels while it is only approximate for circular pipes. Second, the permeability KL of channels with sinusoidal walls was calculated and compared with analytical results and numerical ones provided by a Lattice Boltzmann algorithm. Generally speaking, the discrepancy does not exceed 25% when alpha=0.5. Third, the most important test was performed on two types of real media that were used for previous studies. A fracture network measured by FIB/SEM in a low permeability sandstone was used for that purpose; the two dimensionless permeabilities KS and KL are equal to 9.3d-3 and 8.5d-3. Similar calculations were performed on 256 samples of Fontainebleau sandstones and the agreement was in general excellent, except may be for very low permeabilities. To conclude, the Laplace solver is significantly more stable than the lattice Boltzmann approach, uses less memory, and is significantly faster. Permeabilities are in excellent agreement over a wide range of porosities.

Quantum mushroom billiards

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

Barnett, Alex H.; Betcke, Timo; School of Mathematics, University of Manchester, Manchester, M13 9PL

2007-12-15

We report the first large-scale statistical study of very high-lying eigenmodes (quantum states) of the mushroom billiard proposed by L. A. Bunimovich [Chaos 11, 802 (2001)]. The phase space of this mixed system is unusual in that it has a single regular region and a single chaotic region, and no KAM hierarchy. We verify Percival's conjecture to high accuracy (1.7%). We propose a model for dynamical tunneling and show that it predicts well the chaotic components of predominantly regular modes. Our model explains our observed density of such superpositions dying as E{sup -1/3} (E is the eigenvalue). We compare eigenvaluemore » spacing distributions against Random Matrix Theory expectations, using 16 000 odd modes (an order of magnitude more than any existing study). We outline new variants of mesh-free boundary collocation methods which enable us to achieve high accuracy and high mode numbers ({approx}10{sup 5}) orders of magnitude faster than with competing methods.« less

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

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko

We present methods to compute higher orders in the threshold expansion for the one-loop production of a Higgs boson in association with two partons at hadron colliders. This process contributes to the N 3LO Higgs production cross section beyond the soft-virtual approximation. We use reverse unitarity to expand the phase-space integrals in the small kinematic parameters and to reduce the coefficients of the expansion to a small set of master integrals. We describe two methods for the calculation of the master integrals. The first was introduced for the calculation of the soft triple-real radiation relevant to N 3LO Higgs production.more » The second uses a particular factorization of the three body phase-space measure and the knowledge of the scaling properties of the integral itself. Our result is presented as a Laurent expansion in the dimensional regulator, although some of the master integrals are computed to all orders in this parameter.« less

Statistical methods of fracture characterization using acoustic borehole televiewer log interpretation

NASA Astrophysics Data System (ADS)

Massiot, Cécile; Townend, John; Nicol, Andrew; McNamara, David D.

2017-08-01

Acoustic borehole televiewer (BHTV) logs provide measurements of fracture attributes (orientations, thickness, and spacing) at depth. Orientation, censoring, and truncation sampling biases similar to those described for one-dimensional outcrop scanlines, and other logging or drilling artifacts specific to BHTV logs, can affect the interpretation of fracture attributes from BHTV logs. K-means, fuzzy K-means, and agglomerative clustering methods provide transparent means of separating fracture groups on the basis of their orientation. Fracture spacing is calculated for each of these fracture sets. Maximum likelihood estimation using truncated distributions permits the fitting of several probability distributions to the fracture attribute data sets within truncation limits, which can then be extrapolated over the entire range where they naturally occur. Akaike Information Criterion (AIC) and Schwartz Bayesian Criterion (SBC) statistical information criteria rank the distributions by how well they fit the data. We demonstrate these attribute analysis methods with a data set derived from three BHTV logs acquired from the high-temperature Rotokawa geothermal field, New Zealand. Varying BHTV log quality reduces the number of input data points, but careful selection of the quality levels where fractures are deemed fully sampled increases the reliability of the analysis. Spacing data analysis comprising up to 300 data points and spanning three orders of magnitude can be approximated similarly well (similar AIC rankings) with several distributions. Several clustering configurations and probability distributions can often characterize the data at similar levels of statistical criteria. Thus, several scenarios should be considered when using BHTV log data to constrain numerical fracture models.

GPU computing of compressible flow problems by a meshless method with space-filling curves

NASA Astrophysics Data System (ADS)

Ma, Z. H.; Wang, H.; Pu, S. H.

2014-04-01

A graphic processing unit (GPU) implementation of a meshless method for solving compressible flow problems is presented in this paper. Least-square fit is used to discretize the spatial derivatives of Euler equations and an upwind scheme is applied to estimate the flux terms. The compute unified device architecture (CUDA) C programming model is employed to efficiently and flexibly port the meshless solver from CPU to GPU. Considering the data locality of randomly distributed points, space-filling curves are adopted to re-number the points in order to improve the memory performance. Detailed evaluations are firstly carried out to assess the accuracy and conservation property of the underlying numerical method. Then the GPU accelerated flow solver is used to solve external steady flows over aerodynamic configurations. Representative results are validated through extensive comparisons with the experimental, finite volume or other available reference solutions. Performance analysis reveals that the running time cost of simulations is significantly reduced while impressive (more than an order of magnitude) speedups are achieved.

Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4

NASA Astrophysics Data System (ADS)

Carnicom, Elizabeth M.; Klimczuk, Tomasz; von Rohr, Fabian; Winiarski, Michal J.; Kong, Tai; Stolze, Karoline; Xie, Weiwei; Kushwaha, Satya K.; Cava, Robert J.

2017-08-01

The growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded CePtIn4 crystals, while Ce3Pt4In13 crystals formed when Zn was not present. Anisotropic temperature-dependent magnetic susceptibilities for single crystals show that Zn-stabilized CePtIn4 orders magnetically at ˜1.9 K. High-temperature Curie-Weiss fits indicate an effective moment of ˜2.49 μB/Ce and a directionally averaged Weiss-temperature of approximately -31 K. Specific heat data shows a peak consistent with the ordering temperature seen in the magnetic susceptibility data. Zn-stabilized CePtIn4 is metallic and displays no superconducting transition down to 0.14 K.

Thermal stresses and deflections of cross-ply laminated plates using refined plate theories

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

Khdeir, A.A.; Reddy, J.N.

1991-12-01

Exact analytical solutions of refined plate theories are developed to study the thermal stresses and deflections of cross-ply rectangular plates. The state-space approach in conjunction with the Levy method is used to solve exactly the governing equations of the theories under various boundary conditions. Numerical results of the higher-order theory of Reddy for thermal stresses and deflections are compared with those obtained using the classical and first-order plate theories. 14 refs.

Development of an automated electrical power subsystem testbed for large spacecraft

NASA Technical Reports Server (NTRS)

Hall, David K.; Lollar, Louis F.

1990-01-01

The NASA Marshall Space Flight Center (MSFC) has developed two autonomous electrical power system breadboards. The first breadboard, the autonomously managed power system (AMPS), is a two power channel system featuring energy generation and storage and 24-kW of switchable loads, all under computer control. The second breadboard, the space station module/power management and distribution (SSM/PMAD) testbed, is a two-bus 120-Vdc model of the Space Station power subsystem featuring smart switchgear and multiple knowledge-based control systems. NASA/MSFC is combining these two breadboards to form a complete autonomous source-to-load power system called the large autonomous spacecraft electrical power system (LASEPS). LASEPS is a high-power, intelligent, physical electrical power system testbed which can be used to derive and test new power system control techniques, new power switching components, and new energy storage elements in a more accurate and realistic fashion. LASEPS has the potential to be interfaced with other spacecraft subsystem breadboards in order to simulate an entire space vehicle. The two individual systems, the combined systems (hardware and software), and the current and future uses of LASEPS are described.

Thermal expansion and cation partitioning of MnFe2O4 (Jacobsite) from 1.6 to 1276 K studied by using neutron powder diffraction

NASA Astrophysics Data System (ADS)

Levy, Davide; Pastero, Linda; Hoser, Andreas; Viscovo, Gabriele

2015-01-01

MnFe2O4 is a low-cost and stable magnetic spinel ferrite. In this phase, the influence of the inversion degree on the magnetic properties is still not well understood. To understand this relationship, Mn-ferrite was synthesized by a chemical co-precipitation method modified in our laboratory and studied by using the Neutron Powder Diffraction from 1.6 K to 1243 K. A full refinement of both crystal and magnetic structures was performed in order to correlate the high-temperature cation partitioning, the Curie transition and the structure changes of the Mn-ferrite. In this work three main temperature intervals are detected, characterized by different Mn-ferrite behaviors: first, ranging from 1.6 K to 573 K, where MnFe2O4 is magnetic; second, from 573 K to 623 K, where MnFe2O4 becomes paramagnetic without cation partitioning; and lastly, from 673 K to 1243 K, where cation partitioning occurs.

Biased Tracers in Redshift Space in the EFT of Large-Scale Structure

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

Perko, Ashley; Senatore, Leonardo; Jennings, Elise

2016-10-28

The Effective Field Theory of Large-Scale Structure (EFTofLSS) provides a novel formalism that is able to accurately predict the clustering of large-scale structure (LSS) in the mildly non-linear regime. Here we provide the first computation of the power spectrum of biased tracers in redshift space at one loop order, and we make the associated code publicly available. We compare the multipolesmore » $$\\ell=0,2$$ of the redshift-space halo power spectrum, together with the real-space matter and halo power spectra, with data from numerical simulations at $z=0.67$. For the samples we compare to, which have a number density of $$\\bar n=3.8 \\cdot 10^{-2}(h \\ {\\rm Mpc}^{-1})^3$$ and $$\\bar n=3.9 \\cdot 10^{-4}(h \\ {\\rm Mpc}^{-1})^3$$, we find that the calculation at one-loop order matches numerical measurements to within a few percent up to $$k\\simeq 0.43 \\ h \\ {\\rm Mpc}^{-1}$$, a significant improvement with respect to former techniques. By performing the so-called IR-resummation, we find that the Baryon Acoustic Oscillation peak is accurately reproduced. Based on the results presented here, long-wavelength statistics that are routinely observed in LSS surveys can be finally computed in the EFTofLSS. This formalism thus is ready to start to be compared directly to observational data.« less

Combined electrophoretic-separation and electrospray method and system

DOEpatents

Smith, R.D.; Olivares, J.A.

1989-06-27

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary zone electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5--100 kVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., [+-]2--8 kVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit. 10 figs.

A New Approach to Monte Carlo Simulations in Statistical Physics

NASA Astrophysics Data System (ADS)

Landau, David P.

2002-08-01

Monte Carlo simulations [1] have become a powerful tool for the study of diverse problems in statistical/condensed matter physics. Standard methods sample the probability distribution for the states of the system, most often in the canonical ensemble, and over the past several decades enormous improvements have been made in performance. Nonetheless, difficulties arise near phase transitions-due to critical slowing down near 2nd order transitions and to metastability near 1st order transitions, and these complications limit the applicability of the method. We shall describe a new Monte Carlo approach [2] that uses a random walk in energy space to determine the density of states directly. Once the density of states is known, all thermodynamic properties can be calculated. This approach can be extended to multi-dimensional parameter spaces and should be effective for systems with complex energy landscapes, e.g., spin glasses, protein folding models, etc. Generalizations should produce a broadly applicable optimization tool. 1. A Guide to Monte Carlo Simulations in Statistical Physics, D. P. Landau and K. Binder (Cambridge U. Press, Cambridge, 2000). 2. Fugao Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001); Phys. Rev. E64, 056101-1 (2001).

Decomposed direct matrix inversion for fast non-cartesian SENSE reconstructions.

PubMed

Qian, Yongxian; Zhang, Zhenghui; Wang, Yi; Boada, Fernando E

2006-08-01

A new k-space direct matrix inversion (DMI) method is proposed here to accelerate non-Cartesian SENSE reconstructions. In this method a global k-space matrix equation is established on basic MRI principles, and the inverse of the global encoding matrix is found from a set of local matrix equations by taking advantage of the small extension of k-space coil maps. The DMI algorithm's efficiency is achieved by reloading the precalculated global inverse when the coil maps and trajectories remain unchanged, such as in dynamic studies. Phantom and human subject experiments were performed on a 1.5T scanner with a standard four-channel phased-array cardiac coil. Interleaved spiral trajectories were used to collect fully sampled and undersampled 3D raw data. The equivalence of the global k-space matrix equation to its image-space version, was verified via conjugate gradient (CG) iterative algorithms on a 2x undersampled phantom and numerical-model data sets. When applied to the 2x undersampled phantom and human-subject raw data, the decomposed DMI method produced images with small errors (< or = 3.9%) relative to the reference images obtained from the fully-sampled data, at a rate of 2 s per slice (excluding 4 min for precalculating the global inverse at an image size of 256 x 256). The DMI method may be useful for noise evaluations in parallel coil designs, dynamic MRI, and 3D sodium MRI with fixed coils and trajectories. Copyright 2006 Wiley-Liss, Inc.

Does planning of births affect childhood undernutrition? Evidence from demographic and health surveys of selected South Asian countries.

PubMed

Rana, Md Juel; Goli, Srinivas

2018-03-01

The prevalence of child undernutrition in South Asia is high, as is also the unmet need for family planning. In previous literature, the biodemographic relationship of family planning, particularly birth order and birth spacing, and nutritional status of children have been assessed separately. The aim of this study was to work on the hypothesis that the planning of births comprising timing, spacing, and number of births improves child undernutrition, especially in the areas with high prevalence of stunting and underweight. We used recent Demographic and Health Survey data from four selected South Asian countries. Binary logistic regression models were applied to estimate the adjusted percentage of stunting and underweight by identified independent factors. Findings suggested that after controlling for other socioeconomic factors, children in the first birth order with >24 mo of interval between marriage and first birth have a lower risk for stunting (20%; p <0.01) and underweight (14%; p <0.05), respectively, than other scenarios of the planning of births. The probability of child undernutrition is lower among children born with >24 mo of birth spacing than its counterpart in all birth orders, but the significance of birth spacing reduces with increasing birth orders. Appropriate planning of births using family planning methods in countries with high birth rates has the potential to reduce childhood undernutrition. Thus, the planning of births emerges as an important biodemographic approach to eradicate childhood undernutrition especially in developing regions like South Asia and thereby to achieve sustainable development goals by 2030. Copyright © 2017 Elsevier Inc. All rights reserved.

The alkali metal thermoelectric converter /AMTEC/ - A new direct energy conversion technology for aerospace power

NASA Technical Reports Server (NTRS)

Bankston, C. P.; Cole, T.; Jones, R.; Ewell, R.

1982-01-01

A thermally regenerative electrochemical device for the direct conversion of heat to electrical energy, the alkali metal thermoelectric converter (AMTEC), is characterized by potential efficiencies on the order of 15-40% and possesses no moving parts, making it a candidate for space power system applications. Device conversion efficiency is projected on the basis of experimental voltage vs current curves exhibiting power densities of 0.7 W/sq cm and measured electrode efficiencies of up to 40%. Preliminary radiative heat transfer measurements presented may be used in an investigation of methods for the reduction of AMTEC parasitic radiation losses. AMTEC assumes heat input and rejection temperatures of 900-1300 K and 400-800 K, respectively. The working fluid is liquid sodium, and the porous electrode employed is of molybdenum.

Incremental online learning in high dimensions.

PubMed

Vijayakumar, Sethu; D'Souza, Aaron; Schaal, Stefan

2005-12-01

Locally weighted projection regression (LWPR) is a new algorithm for incremental nonlinear function approximation in high-dimensional spaces with redundant and irrelevant input dimensions. At its core, it employs nonparametric regression with locally linear models. In order to stay computationally efficient and numerically robust, each local model performs the regression analysis with a small number of univariate regressions in selected directions in input space in the spirit of partial least squares regression. We discuss when and how local learning techniques can successfully work in high-dimensional spaces and review the various techniques for local dimensionality reduction before finally deriving the LWPR algorithm. The properties of LWPR are that it (1) learns rapidly with second-order learning methods based on incremental training, (2) uses statistically sound stochastic leave-one-out cross validation for learning without the need to memorize training data, (3) adjusts its weighting kernels based on only local information in order to minimize the danger of negative interference of incremental learning, (4) has a computational complexity that is linear in the number of inputs, and (5) can deal with a large number of-possibly redundant-inputs, as shown in various empirical evaluations with up to 90 dimensional data sets. For a probabilistic interpretation, predictive variance and confidence intervals are derived. To our knowledge, LWPR is the first truly incremental spatially localized learning method that can successfully and efficiently operate in very high-dimensional spaces.

Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta

NASA Astrophysics Data System (ADS)

Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao

2016-06-01

Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.

Theoretical investigation of the effects of the molar ratio and solvent on the formation of the pyrazole-nitroamine cocrystal explosive 3,4-dinitropyrazole (DNP)/2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20).

PubMed

Zhu, Shuang-Fei; Zhang, Shu-Hai; Gou, Rui-Jun; Han, Gang; Wu, Chun-Lei; Ren, Fu-de

2017-11-24

The effects of the molar ratio, temperature, and solvent on the formation of the cocrystal explosive DNP/CL-20 were investigated using molecular dynamics (MD) simulation. The cocrystal structure was predicted through Monte Carlo (MC) simulation and using first-principles methods. The results showed that the DNP/CL-20 cocrystal might be more stable in the molar ratio 1:1 near to 318 K, and the most probable cocrystal crystallizes in the triclinic crystal system with the space group P[Formula: see text]. Cocrystallization was more likely to occur in methanol and ethanol at 308 K as a result of solvent effects. The optimized structure and the reduced density gradient (RDG) of the DNP/CL-20 complex confirmed that the main driving forces for cocrystallization were a series of hydrogen bonds and van der Waals forces. Analyses of the trigger bonds, the charges on the nitro groups, the electrostatic surface potential (ESP), and the free space per molecule in the cocrystal lattice were carried out to further explore their influences on the sensitivity of CL-20. The results indicated that the DNP/CL-20 complex tended to be more stable and insensitive than pure CL-20. Moreover, an investigation of the detonation performance of the DNP/CL-20 cocrystal indicated that it possesses high power. Graphical abstract DNP/CL-20 cocrystal models with different molar ratios were investigated at different temperatures using molecular dynamics (MD) simulation methods. Binding energies and mechanical properties were probed to determine the stability and performance of each cocrystal model. Solvated DNP/CL-20 models were established by adding solvent molecules to the cocrystal surface. The binding energies of the models in various solvents were calculated in order to identify the most suitable solvent and temperature for preparing the cocrystal explosive DNP/CL-20.

Numerical study of the Kitaev-Heisenberg chain

NASA Astrophysics Data System (ADS)

Agrapidis, Cliò Efthimia; van den Brink, Jeroen; Nishimoto, Satoshi

2018-05-01

We study the one-dimensional Kitaev-Heisenberg model as a possible realization of magnetic degrees of freedom of the K-intercalated honeycomb-lattice ruthenium trichloride α-RuCl3, denoted as K0.5RuClm. First, we discuss the possible charge ordering pattern in K0.5RuClm, where half of the j =1/2 spins are replaced by nonmagnetic ions in the honeycomb layer. Next, we investigate the low-energy excitations of the 1D Kitaev-Heisenberg model by calculating the dynamical spin structure factor using the Lanczos exact-diagonalization method. In the vicinity of Kitaev limit, there exist two well-separated dispersions. The bandwidth of each dispersion depends on the Heisenberg and Kitaev terms. This result may be relevant to the low-lying magnetic excitations of K0.5RuClm.

A pseudo energy-invariant method for relativistic wave equations with Riesz space-fractional derivatives

NASA Astrophysics Data System (ADS)

Macías-Díaz, J. E.; Hendy, A. S.; De Staelen, R. H.

2018-03-01

In this work, we investigate a general nonlinear wave equation with Riesz space-fractional derivatives that generalizes various classical hyperbolic models, including the sine-Gordon and the Klein-Gordon equations from relativistic quantum mechanics. A finite-difference discretization of the model is provided using fractional centered differences. The method is a technique that is capable of preserving an energy-like quantity at each iteration. Some computational comparisons against solutions available in the literature are performed in order to assess the capability of the method to preserve the invariant. Our experiments confirm that the technique yields good approximations to the solutions considered. As an application of our scheme, we provide simulations that confirm, for the first time in the literature, the presence of the phenomenon of nonlinear supratransmission in Riesz space-fractional Klein-Gordon equations driven by a harmonic perturbation at the boundary.

Magnetic texturing due to the partial ordering of Fe+3 and Cu+2 in NdBaCuFeO5

NASA Astrophysics Data System (ADS)

Pissas, M.

2017-06-01

The crystal and magnetic structure of the oxygen deficient double perovskite NdBaCuFeO5 was studied, using neutron powder diffraction data. The structure was refined from neutron powder diffraction data using the space groups P 4 / mmm and P 4 mm . For 2K ⩽ T ⩽TN2 = 260K three families of magnetic Bragg peaks exist. These peaks can be indexed with commensurate propagation vectors k1 =[1/2 1/2 1/2], k2 =[1/2 1/2 0] and the incommensurate k3 =[1/2 1/2 0.4]. Above TN2 only magnetic Bragg peaks originated from k1 and k2 propagation, were observed. The incommensurate magnetic structure can be attributed to a circular inclined spiral ordering as in YBaCuFeO5 compound.

Equilibrium Molecular Thermodynamics from Kirkwood Sampling

PubMed Central

2015-01-01

We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys.2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide. PMID:25915525

K-space reconstruction with anisotropic kernel support (KARAOKE) for ultrafast partially parallel imaging.

PubMed

Miao, Jun; Wong, Wilbur C K; Narayan, Sreenath; Wilson, David L

2011-11-01

Partially parallel imaging (PPI) greatly accelerates MR imaging by using surface coil arrays and under-sampling k-space. However, the reduction factor (R) in PPI is theoretically constrained by the number of coils (N(C)). A symmetrically shaped kernel is typically used, but this often prevents even the theoretically possible R from being achieved. Here, the authors propose a kernel design method to accelerate PPI faster than R = N(C). K-space data demonstrates an anisotropic pattern that is correlated with the object itself and to the asymmetry of the coil sensitivity profile, which is caused by coil placement and B(1) inhomogeneity. From spatial analysis theory, reconstruction of such pattern is best achieved by a signal-dependent anisotropic shape kernel. As a result, the authors propose the use of asymmetric kernels to improve k-space reconstruction. The authors fit a bivariate Gaussian function to the local signal magnitude of each coil, then threshold this function to extract the kernel elements. A perceptual difference model (Case-PDM) was employed to quantitatively evaluate image quality. A MR phantom experiment showed that k-space anisotropy increased as a function of magnetic field strength. The authors tested a K-spAce Reconstruction with AnisOtropic KErnel support ("KARAOKE") algorithm with both MR phantom and in vivo data sets, and compared the reconstructions to those produced by GRAPPA, a popular PPI reconstruction method. By exploiting k-space anisotropy, KARAOKE was able to better preserve edges, which is particularly useful for cardiac imaging and motion correction, while GRAPPA failed at a high R near or exceeding N(C). KARAOKE performed comparably to GRAPPA at low Rs. As a rule of thumb, KARAOKE reconstruction should always be used for higher quality k-space reconstruction, particularly when PPI data is acquired at high Rs and/or high field strength.

An arbitrary-order Runge–Kutta discontinuous Galerkin approach to reinitialization for banded conservative level sets

DOE PAGES

Jibben, Zechariah Joel; Herrmann, Marcus

2017-08-24

Here, we present a Runge-Kutta discontinuous Galerkin method for solving conservative reinitialization in the context of the conservative level set method. This represents an extension of the method recently proposed by Owkes and Desjardins [21], by solving the level set equations on the refined level set grid and projecting all spatially-dependent variables into the full basis used by the discontinuous Galerkin discretization. By doing so, we achieve the full k+1 order convergence rate in the L1 norm of the level set field predicted for RKDG methods given kth degree basis functions when the level set profile thickness is held constantmore » with grid refinement. Shape and volume errors for the 0.5-contour of the level set, on the other hand, are found to converge between first and second order. We show a variety of test results, including the method of manufactured solutions, reinitialization of a circle and sphere, Zalesak's disk, and deforming columns and spheres, all showing substantial improvements over the high-order finite difference traditional level set method studied for example by Herrmann. We also demonstrate the need for kth order accurate normal vectors, as lower order normals are found to degrade the convergence rate of the method.« less

POCS-enhanced correction of motion artifacts in parallel MRI.

PubMed

Samsonov, Alexey A; Velikina, Julia; Jung, Youngkyoo; Kholmovski, Eugene G; Johnson, Chris R; Block, Walter F

2010-04-01

A new method for correction of MRI motion artifacts induced by corrupted k-space data, acquired by multiple receiver coils such as phased arrays, is presented. In our approach, a projections onto convex sets (POCS)-based method for reconstruction of sensitivity encoded MRI data (POCSENSE) is employed to identify corrupted k-space samples. After the erroneous data are discarded from the dataset, the artifact-free images are restored from the remaining data using coil sensitivity profiles. The error detection and data restoration are based on informational redundancy of phased-array data and may be applied to full and reduced datasets. An important advantage of the new POCS-based method is that, in addition to multicoil data redundancy, it can use a priori known properties about the imaged object for improved MR image artifact correction. The use of such information was shown to improve significantly k-space error detection and image artifact correction. The method was validated on data corrupted by simulated and real motion such as head motion and pulsatile flow.

The role of local heterogeneity in transport through steep hillslopes.

NASA Astrophysics Data System (ADS)

Fiori, A.; Russo, D.

2009-04-01

A stochastic model is developed for the analysis of the travel time distribution in a hillslope. The latter is represented as a system made up from a highly permeable soil underlain by a less permeable subsoil or bedrock. The heterogeneous hydraulic conductivity K is described as a stationary random space function. The travel time distribution is obtained through a stochastic Lagrangian model of transport, after adopting a first order approximation in the logconductivity variance. The results show that the travel time pdf pertaining to the soil is power-law, with exponent variable between -1 and -0.5; the behavior is mainly determined by unsaturated transport. The subsoil is mainly responsible for the tail of the travel time distribution. Analysis of the first and second moments of travel time show that the spreading of solute is controlled by the variations in the flow-paths (geomorphological dispersion), which depend on the hillslope geometry. Conversely, the contribution of the K heterogeneity to spreading appears as less relevant. The model is tested against a detailed three-dimensional numerical simulation with reasonably good agreement.

Analysis of technical spin-off effects of space-related R&D by means of patent indicators

NASA Astrophysics Data System (ADS)

Schmoch, U.; Kirsch, N.; Ley, W.; Plescher, E.; Jung, K. O.

In view of increasing European activity in the field of manned space travel, intense discussion has arisen on the significance of associated spin-off effects. Alongside this predominantly political debate, however, there is also a purely pragmatic interest in transferring wherever possible the successful results from space research to other branches of industry, in order to achieve optimum exploitation of all the resources available. Until now, spin-offs from space technology have been analyzed by means of interviews conducted in the firms involved, a process harbouring a whole series of uncertainty factors. Potential spin-off fields are frequently ignored, and alleged transfers from space research often in reality stem from other sources. This survey develops an objective method of describing technology transfer based on patent indicators. The first step was to establish on line a total of some 3000 space patents filed since 1975 with destination to the European and American markets. This record is sufficient to permit an analysis of the R&D activities undertaken by the leading industrial nations in the space sector. With further assistance provided by the method of analyzing patent citations, however, it is then possible to discover spin-off effects in areas outside space technology, which are nevertheless closely related in technical terms to the basic space patents with which they are associated. In this way, it is possible to define areas which are particularly suited to adopt space technologies in earthbound applications. This method of analyzing citations, which in principle is familiar for describing technology transfer within any one technical field, has thus been successfully employed for the first time for analyzing spin-offs.

Suprachoroidal Drug Delivery to the Back of the Eye Using Hollow Microneedles

PubMed Central

Patel, Samirkumar R.; Lin, Angela S. P.; Edelhauser, Henry F.

2011-01-01

Purpose In this work, we tested the hypothesis that microneedles provide a minimally invasive method to inject particles into the suprachoroidal space for drug delivery to the back of the eye. Methods A single, hollow microneedle was inserted into the sclera, and infused nanoparticle and microparticle suspensions into the suprachoroidal space. Experiments were performed on whole rabbit, pig, and human eyes ex vivo. Particle delivery was imaged using brightfield and fluorescence microscopy as well as microcomputed tomography. Results Microneedles were shown to deliver sulforhodamine B as well as nanoparticle and microparticle suspensions into the suprachoroidal space of rabbit, pig, and human eyes. Volumes up to 35 μL were administered consistently. Optimization of the delivery device parameters showed that microneedle length, pressure, and particle size played an important role in determining successful delivery into the suprachoroidal space. Needle lengths of 800–1,000 μm and applied pressures of 250–300 kPa provided most reliable delivery. Conclusions Microneedles were shown for the first time to deliver nanoparticle and microparticle suspensions into the suprachoroidal space of rabbit, pig and human eyes. This shows that microneedles may provide a minimally invasive method for controlled drug delivery to the back of the eye. PMID:20857178

Cell-centered high-order hyperbolic finite volume method for diffusion equation on unstructured grids

NASA Astrophysics Data System (ADS)

Lee, Euntaek; Ahn, Hyung Taek; Luo, Hong

2018-02-01

We apply a hyperbolic cell-centered finite volume method to solve a steady diffusion equation on unstructured meshes. This method, originally proposed by Nishikawa using a node-centered finite volume method, reformulates the elliptic nature of viscous fluxes into a set of augmented equations that makes the entire system hyperbolic. We introduce an efficient and accurate solution strategy for the cell-centered finite volume method. To obtain high-order accuracy for both solution and gradient variables, we use a successive order solution reconstruction: constant, linear, and quadratic (k-exact) reconstruction with an efficient reconstruction stencil, a so-called wrapping stencil. By the virtue of the cell-centered scheme, the source term evaluation was greatly simplified regardless of the solution order. For uniform schemes, we obtain the same order of accuracy, i.e., first, second, and third orders, for both the solution and its gradient variables. For hybrid schemes, recycling the gradient variable information for solution variable reconstruction makes one order of additional accuracy, i.e., second, third, and fourth orders, possible for the solution variable with less computational work than needed for uniform schemes. In general, the hyperbolic method can be an effective solution technique for diffusion problems, but instability is also observed for the discontinuous diffusion coefficient cases, which brings necessity for further investigation about the monotonicity preserving hyperbolic diffusion method.

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

Giorda, Paolo; Zanardi, Paolo; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

We analyze the dynamical-algebraic approach to universal quantum control introduced in P. Zanardi and S. Lloyd, e-print quant-ph/0305013. The quantum state space H encoding information decomposes into irreducible sectors and subsystems associated with the group of available evolutions. If this group coincides with the unitary part of the group algebra CK of some group K then universal control is achievable over the K-irreducible components of H. This general strategy is applied to different kinds of bosonic systems. We first consider massive bosons in a double well and show how to achieve universal control over all finite-dimensional Fock sectors. We thenmore » discuss a multimode massless case giving the conditions for generating the whole infinite-dimensional multimode Heisenberg-Weyl enveloping algebra. Finally we show how to use an auxiliary bosonic mode coupled to finite-dimensional systems to generate high-order nonlinearities needed for universal control.« less

Single crystal synthesis and magnetism of the Ba Ln 2O 4 family ( Ln = lanthanide)

DOE PAGES

Besara, Tiglet; Lundberg, Matthew S.; Sun, Jifeng; ...

2014-05-27

The series of compounds in the Ba Ln 2O 4 family (Ln = La–Lu, Y) has been synthesized for the first time in single crystalline form, using a molten metal flux. The series crystallizes in the CaV 2O 4 structure type with primitive orthorhombic symmetry (space group Pnma, #62), and a complete structural study of atomic positions, bonds, angles, and distortions across the lanthanide series is presented. With the exception of the Y, La, Eu, and Lu members, magnetic susceptibility measurements were performed between 2 K and 300 K. BaCe 2O 4 and BaYb 2O 4 display large crystal fieldsmore » effects and suppression of magnetic ordering. As a result, all compounds show signs of magnetic frustration due to the trigonal arrangements of the trivalent lanthanide cations in the structure.« less

Relative planetary radar sensitivities: Arecibo and Goldstone

NASA Technical Reports Server (NTRS)

Renzetti, N. A.; Thompson, T. W.; Slade, M. A.

1988-01-01

The increase of the Deep Space Network antennas from 64 meter to 70 meter diameter represents the first of several improvements that will be made over the next decade to enhance earth based radar sensitivity to solar system targets. The aperture increase at the Goldstone DSS-14 site, coupled with a proposed increase in transmitter power to 1000 kW, will improve the 3.5 cm radar by about one order of magnitude. Similarly, proposed Arecibo Observatory upgrades of a Gregorian feed structure and an increase of transmitter power to 1000 kW will increase the sensitivity of this radar about 20 fold. In addition, a Goldstone to Very Large Array bistatic observation with horizon to horizon tracking will have 3.5 times more sensitivity than will a Goldstone horizon to horizon monostatic observation. All of these improvements, which should be in place within the next decade, will enrich an already fertile field of planetary exploration.

Self-calibrated correlation imaging with k-space variant correlation functions.

PubMed

Li, Yu; Edalati, Masoud; Du, Xingfu; Wang, Hui; Cao, Jie J

2018-03-01

Correlation imaging is a previously developed high-speed MRI framework that converts parallel imaging reconstruction into the estimate of correlation functions. The presented work aims to demonstrate this framework can provide a speed gain over parallel imaging by estimating k-space variant correlation functions. Because of Fourier encoding with gradients, outer k-space data contain higher spatial-frequency image components arising primarily from tissue boundaries. As a result of tissue-boundary sparsity in the human anatomy, neighboring k-space data correlation varies from the central to the outer k-space. By estimating k-space variant correlation functions with an iterative self-calibration method, correlation imaging can benefit from neighboring k-space data correlation associated with both coil sensitivity encoding and tissue-boundary sparsity, thereby providing a speed gain over parallel imaging that relies only on coil sensitivity encoding. This new approach is investigated in brain imaging and free-breathing neonatal cardiac imaging. Correlation imaging performs better than existing parallel imaging techniques in simulated brain imaging acceleration experiments. The higher speed enables real-time data acquisition for neonatal cardiac imaging in which physiological motion is fast and non-periodic. With k-space variant correlation functions, correlation imaging gives a higher speed than parallel imaging and offers the potential to image physiological motion in real-time. Magn Reson Med 79:1483-1494, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Free electron laser designs for laser amplification

DOEpatents

Prosnitz, Donald; Szoke, Abraham

1985-01-01

Method for laser beam amplification by means of free electron laser techniques. With wiggler magnetic field strength B.sub.w and wavelength .lambda..sub.w =2.pi./k.sub.w regarded as variable parameters, the method(s) impose conditions such as substantial constancy of B.sub.w /k.sub.w or k.sub.w or B.sub.w and k.sub.w (alternating), coupled with a choice of either constant resonant phase angle or programmed phase space "bucket" area.

Synthesis, crystal structure and magnetic properties of the two polymorphs of novel S=1 osmate; Li{sub 4}MgOsO{sub 6}

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

Nguyen, Phoung-Hieu T.; Kemei, Moureen C.; Tan, Malinda S.

2016-10-15

Li{sub 4}MgOsO{sub 6} was synthesized by two different solid-state reaction procedures. The crystal structures were determined by X-ray powder diffraction technique and it was revealed that Li{sub 4}MgOsO{sub 6} crystallizes in two different crystal symmetries in ordered rock salt structure type, namely monoclinic C2/m and orthorhombic Fddd. The unit cell constants for the monoclinic system are a=5.1074(4) Å, b=8.8182(4) Å, c=5.0902(2) Å, and β=109.845(4)° and those of the orthorhombic structure are a=5.8485(1) Å, b=8.3821(1) Å, and c=17.6212(3) Å. In both systems, Os{sup 6+} ions reside exclusively in a specific crystallographic position while Li{sup +} and Mg{sup 2+} ions exhibit mixmore » occupancy. The temperature dependent magnetic susceptibility data for both S=1 osmate systems do not support the occurrence of any magnetic transition down to 2 K. The Curie–Weiss fit to the paramagnetic regime of the magnetic susceptibility data reveal highly negative θ value (−114.81 K and −121.87 K for C2/m and for Fddd systems, respectively), which are indicative of predominant antiferromagnetic (AFM) interactions in both systems. The experimental effective magnetic moment (μ{sub eff}) value for the monoclinic phase is 2.13 μB and that of the orthorhombic system is 2.34 μB. Due to the rather strong AFM interactions and lack of magnetic transition down to 2 K, both of these novel osmates are placed in the class of highly frustrated magnets. Low temperature magnetic susceptibility (below 2 K) and dynamic magnetic properties studies (μsr studies) are in order to better understand the magnetic ground states of these two polymorphs of Li{sub 4}MgOsO{sub 6}. - Graphical abstract: The structural transformation between two modifications of highly frustrated Li{sub 4}MgOsO{sub 6}. - Highlights: • Li4MgOsO{sub 6} was synthesized in two different crystal systems. • The monoclinic variant crystallizes in C2/m space group, while the orthorhombic version forms in Fddd space group. • The Os{sup 6+} ions are fully ordered while Li{sup +} and Mg{sup 2+} are mixed occupied. • These systems are the first Os{sup 6+} compounds in ordered NaCl structure type. • Both compounds exhibit high degree of geometric magnetic frustration.« less

Initial contamination control considerations for the Next Generation Space Telescope (NGST)

NASA Technical Reports Server (NTRS)

Wooldridge, Eve M.

1997-01-01

The NASA's Next Generation Space Telescope (NGST), a 6 m to 8 m diameter device, is described. The NGST will be radiatively cooled to 30 K to 60 K in order to carry out extremely deep exposures at near infrared wavelengths, for 5 years to 10 years lifetime. Initial contamination control design options include strict materials selection and baking out of both hardware down to the component level, minimizing or eliminating the exposure to the optical telescope assembly to sunlight or earth albedo during deployment and early in-orbit operations.

Classification of speech dysfluencies using LPC based parameterization techniques.

PubMed

Hariharan, M; Chee, Lim Sin; Ai, Ooi Chia; Yaacob, Sazali

2012-06-01

The goal of this paper is to discuss and compare three feature extraction methods: Linear Predictive Coefficients (LPC), Linear Prediction Cepstral Coefficients (LPCC) and Weighted Linear Prediction Cepstral Coefficients (WLPCC) for recognizing the stuttered events. Speech samples from the University College London Archive of Stuttered Speech (UCLASS) were used for our analysis. The stuttered events were identified through manual segmentation and were used for feature extraction. Two simple classifiers namely, k-nearest neighbour (kNN) and Linear Discriminant Analysis (LDA) were employed for speech dysfluencies classification. Conventional validation method was used for testing the reliability of the classifier results. The study on the effect of different frame length, percentage of overlapping, value of ã in a first order pre-emphasizer and different order p were discussed. The speech dysfluencies classification accuracy was found to be improved by applying statistical normalization before feature extraction. The experimental investigation elucidated LPC, LPCC and WLPCC features can be used for identifying the stuttered events and WLPCC features slightly outperforms LPCC features and LPC features.

A novel unsplit perfectly matched layer for the second-order acoustic wave equation.

PubMed

Ma, Youneng; Yu, Jinhua; Wang, Yuanyuan

2014-08-01

When solving acoustic field equations by using numerical approximation technique, absorbing boundary conditions (ABCs) are widely used to truncate the simulation to a finite space. The perfectly matched layer (PML) technique has exhibited excellent absorbing efficiency as an ABC for the acoustic wave equation formulated as a first-order system. However, as the PML was originally designed for the first-order equation system, it cannot be applied to the second-order equation system directly. In this article, we aim to extend the unsplit PML to the second-order equation system. We developed an efficient unsplit implementation of PML for the second-order acoustic wave equation based on an auxiliary-differential-equation (ADE) scheme. The proposed method can benefit to the use of PML in simulations based on second-order equations. Compared with the existing PMLs, it has simpler implementation and requires less extra storage. Numerical results from finite-difference time-domain models are provided to illustrate the validity of the approach. Copyright © 2014 Elsevier B.V. All rights reserved.

Probabilistic durability assessment of concrete structures in marine environments: Reliability and sensitivity analysis

NASA Astrophysics Data System (ADS)

Yu, Bo; Ning, Chao-lie; Li, Bing

2017-03-01

A probabilistic framework for durability assessment of concrete structures in marine environments was proposed in terms of reliability and sensitivity analysis, which takes into account the uncertainties under the environmental, material, structural and executional conditions. A time-dependent probabilistic model of chloride ingress was established first to consider the variations in various governing parameters, such as the chloride concentration, chloride diffusion coefficient, and age factor. Then the Nataf transformation was adopted to transform the non-normal random variables from the original physical space into the independent standard Normal space. After that the durability limit state function and its gradient vector with respect to the original physical parameters were derived analytically, based on which the first-order reliability method was adopted to analyze the time-dependent reliability and parametric sensitivity of concrete structures in marine environments. The accuracy of the proposed method was verified by comparing with the second-order reliability method and the Monte Carlo simulation. Finally, the influences of environmental conditions, material properties, structural parameters and execution conditions on the time-dependent reliability of concrete structures in marine environments were also investigated. The proposed probabilistic framework can be implemented in the decision-making algorithm for the maintenance and repair of deteriorating concrete structures in marine environments.

Radiofrequency pulse design using nonlinear gradient magnetic fields.

PubMed

Kopanoglu, Emre; Constable, R Todd

2015-09-01

An iterative k-space trajectory and radiofrequency (RF) pulse design method is proposed for excitation using nonlinear gradient magnetic fields. The spatial encoding functions (SEFs) generated by nonlinear gradient fields are linearly dependent in Cartesian coordinates. Left uncorrected, this may lead to flip angle variations in excitation profiles. In the proposed method, SEFs (k-space samples) are selected using a matching pursuit algorithm, and the RF pulse is designed using a conjugate gradient algorithm. Three variants of the proposed approach are given: the full algorithm, a computationally cheaper version, and a third version for designing spoke-based trajectories. The method is demonstrated for various target excitation profiles using simulations and phantom experiments. The method is compared with other iterative (matching pursuit and conjugate gradient) and noniterative (coordinate-transformation and Jacobian-based) pulse design methods as well as uniform density spiral and EPI trajectories. The results show that the proposed method can increase excitation fidelity. An iterative method for designing k-space trajectories and RF pulses using nonlinear gradient fields is proposed. The method can either be used for selecting the SEFs individually to guide trajectory design, or can be adapted to design and optimize specific trajectories of interest. © 2014 Wiley Periodicals, Inc.

Using the Ab Initio Molecular Dynamics Method for Simulating the Peculiarities in the Temperature Dependence of Liquid Bismuth Properties

NASA Astrophysics Data System (ADS)

Yuryev, A. A.; Gelchinski, B. R.; Vatolin, N. A.

2018-03-01

The specific features pertinent to the temperature dependence of the electronic and atomic properties of liquid bismuth that have been observed in experiments are investigated according to the ab initio molecular dynamics method using the SIESTA open software package. The density of electronic states, the radial distribution function of atoms, and the self-diffusion coefficient are calculated for the temperature range from the melting point equal to 545 K to 1500 K. The calculated data are in good agreement with the experimental data. It is found that the position of the first peak in the radial distribution function of atoms and the self-diffusion coefficient are characterized by a nonmonotonic dependence under the conditions of superheating by approximately 150 K above the melting temperature. In the authors' opinion, this dependence feature is attributed to a change in the liquid short-range order structure.

An explicit asymptotic preserving low Froude scheme for the multilayer shallow water model with density stratification

NASA Astrophysics Data System (ADS)

Couderc, F.; Duran, A.; Vila, J.-P.

2017-08-01

We present an explicit scheme for a two-dimensional multilayer shallow water model with density stratification, for general meshes and collocated variables. The proposed strategy is based on a regularized model where the transport velocity in the advective fluxes is shifted proportionally to the pressure potential gradient. Using a similar strategy for the potential forces, we show the stability of the method in the sense of a discrete dissipation of the mechanical energy, in general multilayer and non-linear frames. These results are obtained at first-order in space and time and extended using a second-order MUSCL extension in space and a Heun's method in time. With the objective of minimizing the diffusive losses in realistic contexts, sufficient conditions are exhibited on the regularizing terms to ensure the scheme's linear stability at first and second-order in time and space. The other main result stands in the consistency with respect to the asymptotics reached at small and large time scales in low Froude regimes, which governs large-scale oceanic circulation. Additionally, robustness and well-balanced results for motionless steady states are also ensured. These stability properties tend to provide a very robust and efficient approach, easy to implement and particularly well suited for large-scale simulations. Some numerical experiments are proposed to highlight the scheme efficiency: an experiment of fast gravitational modes, a smooth surface wave propagation, an initial propagating surface water elevation jump considering a non-trivial topography, and a last experiment of slow Rossby modes simulating the displacement of a baroclinic vortex subject to the Coriolis force.

An efficient sampling algorithm for uncertain abnormal data detection in biomedical image processing and disease prediction.

PubMed

Liu, Fei; Zhang, Xi; Jia, Yan

2015-01-01

In this paper, we propose a computer information processing algorithm that can be used for biomedical image processing and disease prediction. A biomedical image is considered a data object in a multi-dimensional space. Each dimension is a feature that can be used for disease diagnosis. We introduce a new concept of the top (k1,k2) outlier. It can be used to detect abnormal data objects in the multi-dimensional space. This technique focuses on uncertain space, where each data object has several possible instances with distinct probabilities. We design an efficient sampling algorithm for the top (k1,k2) outlier in uncertain space. Some improvement techniques are used for acceleration. Experiments show our methods' high accuracy and high efficiency.

Calculations of kaonic nuclei based on chiral meson-baryon amplitudes

NASA Astrophysics Data System (ADS)

Gazda, Daniel; Mareš, Jiří

2013-09-01

In-medium KbarN scattering amplitudes developed within a chirally motivated coupled-channel model are used to construct K- nuclear potentials for calculations of K- nuclear quasi-bound states. Self-consistent evaluations yield K- potential depths -Re VK(ρ0) of order 100 MeV. Dynamical polarization effects and two-nucleon KbarNN→YN absorption modes are discussed. The widths ΓK of allK- nuclear quasi-bound states are comparable or even larger than the corresponding binding energies BK, exceeding considerably the energy level spacing.

Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.

PubMed

Guo, Meiyuan; Sørensen, Lasse Kragh; Delcey, Mickaël G; Pinjari, Rahul V; Lundberg, Marcus

2016-01-28

The intensities and relative energies of metal K pre-edge features are sensitive to both geometric and electronic structures. With the possibility to collect high-resolution spectral data it is important to find theoretical methods that include all important spectral effects: ligand-field splitting, multiplet structures, 3d-4p orbital hybridization, and charge-transfer excitations. Here the restricted active space (RAS) method is used for the first time to calculate metal K pre-edge spectra of open-shell systems, and its performance is tested against on six iron complexes: [FeCl6](n-), [FeCl4](n-), and [Fe(CN)6](n-) in ferrous and ferric oxidation states. The method gives good descriptions of the spectral shapes for all six systems. The mean absolute deviation for the relative energies of different peaks is only 0.1 eV. For the two systems that lack centrosymmetry [FeCl4](2-/1-), the ratios between dipole and quadrupole intensity contributions are reproduced with an error of 10%, which leads to good descriptions of the integrated pre-edge intensities. To gain further chemical insight, the origins of the pre-edge features have been analyzed with a chemically intuitive molecular orbital picture that serves as a bridge between the spectra and the electronic structures. The pre-edges contain information about both ligand-field strengths and orbital covalencies, which can be understood by analyzing the RAS wavefunction. The RAS method can thus be used to predict and rationalize the effects of changes in both the oxidation state and ligand environment in a number of hard X-ray studies of small and medium-sized molecular systems.

Urban Multisensory Laboratory, AN Approach to Model Urban Space Human Perception

NASA Astrophysics Data System (ADS)

González, T.; Sol, D.; Saenz, J.; Clavijo, D.; García, H.

2017-09-01

An urban sensory lab (USL or LUS an acronym in Spanish) is a new and avant-garde approach for studying and analyzing a city. The construction of this approach allows the development of new methodologies to identify the emotional response of public space users. The laboratory combines qualitative analysis proposed by urbanists and quantitative measures managed by data analysis applications. USL is a new approach to go beyond the borders of urban knowledge. The design thinking strategy allows us to implement methods to understand the results provided by our technique. In this first approach, the interpretation is made by hand. However, our goal is to combine design thinking and machine learning in order to analyze the qualitative and quantitative data automatically. Now, the results are being used by students from the Urbanism and Architecture courses in order to get a better understanding of public spaces in Puebla, Mexico and its interaction with people.

Origin and Evolution of the Unique Hepatitis C Virus Circulating Recombinant Form 2k/1b

PubMed Central

Thomas, Xiomara V.; Koekkoek, Sylvie M.; Schinkel, Janke; Molenkamp, Richard; van de Laar, Thijs J.; Takebe, Yutaka; Tanaka, Yasuhito; Mizokami, Masashi; Rambaut, Andrew

2012-01-01

Since its initial identification in St. Petersburg, Russia, the recombinant hepatitis C virus (HCV) 2k/1b has been isolated from several countries throughout Eurasia. The 2k/1b strain is the only recombinant HCV to have spread widely, raising questions about the epidemiological background in which it first appeared. In order to further understand the circumstances by which HCV recombinants might be formed and spread, we estimated the date of the recombination event that generated the 2k/1b strain using a Bayesian phylogenetic approach. Our study incorporates newly isolated 2k/1b strains from Amsterdam, The Netherlands, and has employed a hierarchical Bayesian framework to combine information from different genomic regions. We estimate that 2k/1b originated sometime between 1923 and 1956, substantially before the first detection of the strain in 1999. The timescale and the geographic spread of 2k/1b suggest that it originated in the former Soviet Union at about the time that the world's first centralized national blood transfusion and storage service was being established. We also reconstructed the epidemic history of 2k/1b using coalescent theory-based methods, matching patterns previously reported for other epidemic HCV subtypes. This study demonstrates the practicality of jointly estimating dates of recombination from flanking regions of the breakpoint and further illustrates that rare genetic-exchange events can be particularly informative about the underlying epidemiological processes. PMID:22114341

Semi-automatic ground truth generation using unsupervised clustering and limited manual labeling: Application to handwritten character recognition

PubMed Central

Vajda, Szilárd; Rangoni, Yves; Cecotti, Hubert

2015-01-01

For training supervised classifiers to recognize different patterns, large data collections with accurate labels are necessary. In this paper, we propose a generic, semi-automatic labeling technique for large handwritten character collections. In order to speed up the creation of a large scale ground truth, the method combines unsupervised clustering and minimal expert knowledge. To exploit the potential discriminant complementarities across features, each character is projected into five different feature spaces. After clustering the images in each feature space, the human expert labels the cluster centers. Each data point inherits the label of its cluster’s center. A majority (or unanimity) vote decides the label of each character image. The amount of human involvement (labeling) is strictly controlled by the number of clusters – produced by the chosen clustering approach. To test the efficiency of the proposed approach, we have compared, and evaluated three state-of-the art clustering methods (k-means, self-organizing maps, and growing neural gas) on the MNIST digit data set, and a Lampung Indonesian character data set, respectively. Considering a k-nn classifier, we show that labeling manually only 1.3% (MNIST), and 3.2% (Lampung) of the training data, provides the same range of performance than a completely labeled data set would. PMID:25870463

A magnetic topological semimetal Sr 1-yMn 1-zSb2 (y, z < 0.10)

DOE PAGES

Liu, J. Y.; Hu, J.; Zhang, Qiang; ...

2017-07-24

Weyl (WSMs) evolve from Dirac semimetals in the presence of broken time-reversal symmetry (TRS) or space-inversion symmetry. The WSM phases in TaAs-class materials and photonic crystals are due to the loss of space-inversion symmetry. For TRS-breaking WSMs, despite numerous theoretical and experimental efforts, few examples have been reported. Here in this paper, we report a new type of magnetic semimetal Sr 1-yMn 1-zSb 2 (y, z < 0.1) with nearly massless relativistic fermion behaviour (m* = 0.04 - 0.05m 0, where m 0 is the free-electron mass). This material exhibits a ferromagnetic order for 304 K < T < 565more » K, but a canted antiferromagnetic order with a ferromagnetic component for T < 304 K. The combination of relativistic fermion behaviour and ferromagnetism in Sr 1-yMn 1-zSb2 offers a rare opportunity to investigate the interplay between relativistic fermions and spontaneous TRS breaking.« less

A magnetic topological semimetal Sr 1-yMn 1-zSb2 (y, z < 0.10)

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

Liu, J. Y.; Hu, J.; Zhang, Qiang

Weyl (WSMs) evolve from Dirac semimetals in the presence of broken time-reversal symmetry (TRS) or space-inversion symmetry. The WSM phases in TaAs-class materials and photonic crystals are due to the loss of space-inversion symmetry. For TRS-breaking WSMs, despite numerous theoretical and experimental efforts, few examples have been reported. Here in this paper, we report a new type of magnetic semimetal Sr 1-yMn 1-zSb 2 (y, z < 0.1) with nearly massless relativistic fermion behaviour (m* = 0.04 - 0.05m 0, where m 0 is the free-electron mass). This material exhibits a ferromagnetic order for 304 K < T < 565more » K, but a canted antiferromagnetic order with a ferromagnetic component for T < 304 K. The combination of relativistic fermion behaviour and ferromagnetism in Sr 1-yMn 1-zSb2 offers a rare opportunity to investigate the interplay between relativistic fermions and spontaneous TRS breaking.« less

Thermally-induced first-order phase transition in the (FC6H4C2H4NH3)2[PbI4] photoluminescent organic-inorganic material

NASA Astrophysics Data System (ADS)

Koubaa, M.; Dammak, T.; Garrot, D.; Castro, M.; Codjovi, E.; Mlayah, A.; Abid, Y.; Boukheddaden, K.

2012-03-01

The thermal properties of the perovskite slab alkylammonium lead iodide (FC6H4C2H4NH3)2[PbI4] are investigated using spectroscopic ellipsometry, differential scanning calorimetry, photoluminescence, and Raman spectroscopy. The spectroscopic ellipsometry, performed in the heating mode, clearly evidenced the presence of a singularity at 375 K. This is corroborated by the temperature dependence of the photoluminescence, which pointed out a first-order order-disorder phase transition at ˜375 K, with a hysteresis loop of 40 K width. Raman spectroscopy data suggest that this transition arises from a dynamic rotational disordering of the ammonium headgroups of the alkylammonium chain. In contrast, differential scanning calorimetry measurements on a pellet sample led to an entropy change value ΔS ≈0.39 J/K/mol at the transition, suggesting the existence of a residual short-range order of the NH3+ on cooling from the high temperature phase.

Detecting a subsurface cylinder by a Time Reversal MUSIC like method

NASA Astrophysics Data System (ADS)

Solimene, Raffaele; Dell'Aversano, Angela; Leone, Giovanni

2014-05-01

In this contribution the problem of imaging a buried homogeneous circular cylinder is dealt with for a two-dimensional scalar geometry. Though the addressed geometry is extremely simple as compared to real world scenarios, it can be considered of interest for a classical GPR civil engineering applicative context: that is the subsurface prospecting of urban area in order to detect and locate buried utilities. A large body of methods for subsurface imaging have been presented in literature [1], ranging from migration algorithms to non-linear inverse scattering approaches. More recently, also spectral estimation methods, which benefit from sub-array data arrangement, have been proposed and compared in [2].Here a Time Reversal MUSIC (TRM) like method is employed. TRM has been initially conceived to detect point-like scatterers and then generalized to the case of extended scatterers [3]. In the latter case, no a priori information about the scatterers is exploited. However, utilities often can be schematized as circular cylinders. Here, we develop a TRM variant which use this information to properly tailor the steering vector while implementing TRM. Accordingly, instead of a spatial map [3], the imaging procedure returns the scatterer's parameters such as its center position, radius and dielectric permittivity. The study is developed by numerical simulations. First the free-space case is considered in order to more easily introduce the idea and the problem mathematical structure. Then the analysis is extended to the half-space case. In both situations a FDTD forward solver is used to generate the synthetic data. As usual in TRM, a multi-view/multi-static single-frequency configuration is considered and emphasis is put on the role played by the number of available sensors. Acknowledgement This work benefited from networking activities carried out within the EU funded COST Action TU1208 "Civil Engineering Applications of Ground Penetrating Radar." [1] A. Randazzo and R. Solimene, 'Development Of New Methods For The Solution Of Inverse Electromagnetic Scattering Problems By Buried Structures: State of the Art and Open Issues ,'in COST ACTION TU1208: CIVIL ENGINEERING APPLICATIONS OF GROUND PENETRATING RADAR, Proceedings of first Action's General Meeting, 2013. ISBN: 978-88-548-6191-6. [2] S. Meschino, L. Pajewski, M. Pastorino, A. Randazzo, G. Schettini, "Detection of subsurface metallic utilities by means of a SAP technique: Comparing MUSIC- and SVM-based approaches, Journal of Applied Geophysics, vol. 97, pp. 60-68, 2013. [3] E. A. Marengo, F. K. Gruber, F. Simonetti, 'Time-reversal MUSIC imaging of extended targets,' IEEE Trans Image Process. vol. 16, pp. 1967-84, 2007

Nature and evolution of incommensurate charge order in manganites visualized with cryogenic scanning transmission electron microscopy.

PubMed

El Baggari, Ismail; Savitzky, Benjamin H; Admasu, Alemayehu S; Kim, Jaewook; Cheong, Sang-Wook; Hovden, Robert; Kourkoutis, Lena F

2018-02-13

Incommensurate charge order in hole-doped oxides is intertwined with exotic phenomena such as colossal magnetoresistance, high-temperature superconductivity, and electronic nematicity. Here, we map, at atomic resolution, the nature of incommensurate charge-lattice order in a manganite using scanning transmission electron microscopy at room temperature and cryogenic temperature ([Formula: see text]93 K). In diffraction, the ordering wave vector changes upon cooling, a behavior typically associated with incommensurate order. However, using real space measurements, we discover that the ordered state forms lattice-locked regions over a few wavelengths interspersed with phase defects and changing periodicity. The cations undergo picometer-scale ([Formula: see text]6 pm to 11 pm) transverse displacements, suggesting that charge-lattice coupling is strong. We further unearth phase inhomogeneity in the periodic lattice displacements at room temperature, and emergent phase coherence at 93 K. Such local phase variations govern the long-range correlations of the charge-ordered state and locally change the periodicity of the modulations, resulting in wave vector shifts in reciprocal space. These atomically resolved observations underscore the importance of lattice coupling and phase inhomogeneity, and provide a microscopic explanation for putative "incommensurate" order in hole-doped oxides. Copyright © 2018 the Author(s). Published by PNAS.

Magnetic order close to superconductivity in the iron-based layered LaO1-xFxFeAs systems

NASA Astrophysics Data System (ADS)

de La Cruz, Clarina; Huang, Q.; Lynn, J. W.; Li, Jiying; , W. Ratcliff, II; Zarestky, J. L.; Mook, H. A.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Dai, Pengcheng

2008-06-01

Following the discovery of long-range antiferromagnetic order in the parent compounds of high-transition-temperature (high-Tc) copper oxides, there have been efforts to understand the role of magnetism in the superconductivity that occurs when mobile `electrons' or `holes' are doped into the antiferromagnetic parent compounds. Superconductivity in the newly discovered rare-earth iron-based oxide systems ROFeAs (R, rare-earth metal) also arises from either electron or hole doping of their non-superconducting parent compounds. The parent material LaOFeAs is metallic but shows anomalies near 150K in both resistivity and d.c. magnetic susceptibility. Although optical conductivity and theoretical calculations suggest that LaOFeAs exhibits a spin-density-wave (SDW) instability that is suppressed by doping with electrons to induce superconductivity, there has been no direct evidence of SDW order. Here we report neutron-scattering experiments that demonstrate that LaOFeAs undergoes an abrupt structural distortion below 155K, changing the symmetry from tetragonal (space group P4/nmm) to monoclinic (space group P112/n) at low temperatures, and then, at ~137K, develops long-range SDW-type antiferromagnetic order with a small moment but simple magnetic structure. Doping the system with fluorine suppresses both the magnetic order and the structural distortion in favour of superconductivity. Therefore, like high-Tc copper oxides, the superconducting regime in these iron-based materials occurs in close proximity to a long-range-ordered antiferromagnetic ground state.

Phase diagram and quantum order by disorder in the Kitaev K1-K2 honeycomb magnet

NASA Astrophysics Data System (ADS)

Rousochatzakis, Ioannis; Reuther, Johannes; Thomale, Ronny; Rachel, Stephan; Perkins, Natalia

We show that the topological Kitaev spin liquid on the honeycomb lattice is extremely fragile against the second neighbor Kitaev coupling K2, which has been recently identified as the dominant perturbation away from the nearest neighbor model in iridate Na2IrO3, and may also play a role in α-RuCl3. This coupling explains naturally the zig-zag ordering and the special entanglement between real and spin space observed recently in Na2IrO3. The minimal K1-K2 model that we present here holds in addition the unique property that the classical and quantum phase diagrams and their respective order-by-disorder mechanisms are qualitatively different due to their fundamentally different symmetry structure. Nsf DMR-1511768; Freie Univ. Berlin Excellence Initiative of German Research Foundation; European Research Council, ERC-StG-336012; DFG-SFB 1170; DFG-SFB 1143, DFG-SPP 1666, and Helmholtz association VI-521.

Turtle: identifying frequent k-mers with cache-efficient algorithms.

PubMed

Roy, Rajat Shuvro; Bhattacharya, Debashish; Schliep, Alexander

2014-07-15

Counting the frequencies of k-mers in read libraries is often a first step in the analysis of high-throughput sequencing data. Infrequent k-mers are assumed to be a result of sequencing errors. The frequent k-mers constitute a reduced but error-free representation of the experiment, which can inform read error correction or serve as the input to de novo assembly methods. Ideally, the memory requirement for counting should be linear in the number of frequent k-mers and not in the, typically much larger, total number of k-mers in the read library. We present a novel method that balances time, space and accuracy requirements to efficiently extract frequent k-mers even for high-coverage libraries and large genomes such as human. Our method is designed to minimize cache misses in a cache-efficient manner by using a pattern-blocked Bloom filter to remove infrequent k-mers from consideration in combination with a novel sort-and-compact scheme, instead of a hash, for the actual counting. Although this increases theoretical complexity, the savings in cache misses reduce the empirical running times. A variant of method can resort to a counting Bloom filter for even larger savings in memory at the expense of false-negative rates in addition to the false-positive rates common to all Bloom filter-based approaches. A comparison with the state-of-the-art shows reduced memory requirements and running times. The tools are freely available for download at http://bioinformatics.rutgers.edu/Software/Turtle and http://figshare.com/articles/Turtle/791582. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Fabrication and characterization of L10-ordered FeNi thin films

NASA Astrophysics Data System (ADS)

Takanashi, Koki; Mizuguchi, Masaki; Kojima, Takayuki; Tashiro, Takayuki

2017-12-01

L10-ordered FeNi, showing high uniaxial magnetic anisotropy (K u), is promising as a ‘rare metal-free’ high K u material. We have worked on L10-ordered FeNi thin films prepared by two methods: one is molecular beam epitaxy (MBE) with alternate deposition of Fe and Ni monatomic layers, and the other is sputtering with co-deposition or multilayer-deposition of Fe and Ni followed by rapid thermal annealing (RTA). For the MBE films prepared by alternate monatomic layer deposition (leading to the stoichiometric composition: Fe 50 at.%- Ni 50 at.%), a clear relationship between K u and the long-range order parameter S estimated by synchrotron x-ray diffraction (XRD) was found with maximum values of S  =  0.48 and K u  =  7.0  ×  106 erg cm-3. The composition dependence of K u was also investigated by deviating the thickness from monatomic layer, showing a maximum of 9.3  ×  106 erg cm-3 around 60 at.%Fe. In addition, the effect of Co addition to L10-ordered FeNi was investigated, suggesting that a small amount (<10 at.%) of Co substitution for Ni would enhance K u if S keeps the same. The experiments were in qualitatively good agreement with the first-principles calculations. The magnetic damping constant α was also measured to be approximately 0.01 irrespective of S, suggesting that L10-FeNi is a candidate material with high K u and low α. For the sputtered films with RTA, no major difference between co-deposition and multilayer-deposition was found: in both cases the formation of L10-ordered phase after RTA was definitely confirmed by XRD. Transmission electron microscopy observations indicated that nanometer-sized L10-ordered clusters were dispersed in a disordered phase, in contrast to that of MBE films showing the homogeneous formation of L10-ordered phase. The enhancement of coercivity (H c) and residual magnetization (M r/M s) was observed associated with the appearance of L10-ordered phase. The maxima of H c and M r/M s were obtained to be 1.35 kOe and 0.22, respectively.

Preparation of photocatalytic ZnO nanoparticles and application in photochemical degradation of betamethasone sodium phosphate using taguchi approach

NASA Astrophysics Data System (ADS)

Giahi, M.; Farajpour, G.; Taghavi, H.; Shokri, S.

2014-07-01

In this study, ZnO nanoparticles were prepared by a sol-gel method for the first time. Taguchi method was used to identify the several factors that may affect degradation percentage of betamethasone sodium phosphate in wastewater in UV/K2S2O8/nano-ZnO system. Our experimental design consisted of testing five factors, i.e., dosage of K2S2O8, concentration of betamethasone sodium phosphate, amount of ZnO, irradiation time and initial pH. With four levels of each factor tested. It was found that, optimum parameters are irradiation time, 180 min; pH 9.0; betamethasone sodium phosphate, 30 mg/L; amount of ZnO, 13 mg; K2S2O8, 1 mM. The percentage contribution of each factor was determined by the analysis of variance (ANOVA). The results showed that irradiation time; pH; amount of ZnO; drug concentration and dosage of K2S2O8 contributed by 46.73, 28.56, 11.56, 6.70, and 6.44%, respectively. Finally, the kinetics process was studied and the photodegradation rate of betamethasone sodium phosphate was found to obey pseudo-first-order kinetics equation represented by the Langmuir-Hinshelwood model.

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

Seljak, Uroš; McDonald, Patrick, E-mail: useljak@berkeley.edu, E-mail: pvmcdonald@lbl.gov

We develop a phase space distribution function approach to redshift space distortions (RSD), in which the redshift space density can be written as a sum over velocity moments of the distribution function. These moments are density weighted and have well defined physical interpretation: their lowest orders are density, momentum density, and stress energy density. The series expansion is convergent if kμu/aH < 1, where k is the wavevector, H the Hubble parameter, u the typical gravitational velocity and μ = cos θ, with θ being the angle between the Fourier mode and the line of sight. We perform an expansionmore » of these velocity moments into helicity modes, which are eigenmodes under rotation around the axis of Fourier mode direction, generalizing the scalar, vector, tensor decomposition of perturbations to an arbitrary order. We show that only equal helicity moments correlate and derive the angular dependence of the individual contributions to the redshift space power spectrum. We show that the dominant term of μ{sup 2} dependence on large scales is the cross-correlation between the density and scalar part of momentum density, which can be related to the time derivative of the matter power spectrum. Additional terms contributing to μ{sup 2} and dominating on small scales are the vector part of momentum density-momentum density correlations, the energy density-density correlations, and the scalar part of anisotropic stress density-density correlations. The second term is what is usually associated with the small scale Fingers-of-God damping and always suppresses power, but the first term comes with the opposite sign and always adds power. Similarly, we identify 7 terms contributing to μ{sup 4} dependence. Some of the advantages of the distribution function approach are that the series expansion converges on large scales and remains valid in multi-stream situations. We finish with a brief discussion of implications for RSD in galaxies relative to dark matter, highlighting the issue of scale dependent bias of velocity moments correlators.« less

High temporal and high spatial resolution MR angiography (4D-MRA).

PubMed

Hadizadeh, D R; Marx, C; Gieseke, J; Schild, H H; Willinek, W A

2014-09-01

In the first decade of the twenty-first century, whole-body magnetic resonance scanners with high field strengths (and thus potentially better signal-to-noise ratios) were developed. At the same time, parallel imaging and "echo-sharing" techniques were refined to allow for increasingly high spatial and temporal resolution in dynamic magnetic resonance angiography ("time-resolved" = TR-MRA). This technological progress facilitated tracking the passage of intra-venously administered contrast agent boluses as well as the acquisition of volume data sets at high image refresh rates ("4D-MRA"). This opened doors for many new applications in non-invasive vascular imaging, including simultaneous anatomic and functional analysis of many vascular pathologies including arterio-venous malformations. Different methods were established to acquire 4D-MRA using various strategies to acquire k-space trajectories over time in order to optimize imaging according to clinical needs. These include "keyhole"-based techniques (e. g. 4D-TRAK), TRICKS - both with and without projection - and HYPR-reconstruction, TREAT, and TWIST. Some of these techniques were first introduced in the 1980 s and 1990 s, were later enhanced and modified, and finally implemented in the products of major vendors. In the last decade, a large number of studies on the clinical applications of TR-MRA was published. This manuscript provides an overview of the development of TR-MRA methods and the 4D-MRA techniques as they are currently used in the diagnosis, treatment and follow-up of vascular diseases in various parts of the body. © Georg Thieme Verlag KG Stuttgart · New York.

Thermal decomposition of FC(O)OCH3 and FC(O)OCH2CH3.

PubMed

Berasategui, M; Argüello, G A; Burgos Paci, M A

2018-05-09

The thermal decomposition of methyl and ethyl formates has been extensively studied due to their importance in the oxidation of several fuels, pesticidal properties and their presence in interstellar space. We hitherto present the study of the thermal decomposition of methyl and ethyl fluoroformates, which could help in the elucidation of the reaction mechanisms. The reaction mechanisms were studied using FTIR spectroscopy in the temperature range of 453-733 K in the presence of different pressures of N2 as bath gas. For FC(O)OCH3 two different channels were observed; the unimolecular decomposition which is favored at higher temperatures and has a rate constant kFC(O)OCH3 = (5.3 ± 0.5) × 1015 exp[-(246 ± 10 kJ mol-1/RT)] (in units of s-1) and a bimolecular channel with a rate constant kFC(O)OCH3 = (1.6 ± 0.5) × 1011 exp[-(148 ± 10 kJ mol-1/RT)] (in units of s-1 (mol L)-1). However for ethyl formate, only direct elimination of CO2, HF and ethylene operates. The rate constants of the homogeneous first-order process fit the Arrhenius equation kFC(O)OCH2CH3 = (2.06 ± 0.09) × 1013 exp[-(169 ± 6 kJ mol-1/RT)] (in units of s-1). The difference between the mechanisms of the two fluoroformates relies on the stabilization of a six-centered transition state that only exists for ethyl formate. First principles calculations for the different channels were carried out to understand the dynamics of the decomposition.

TH-EF-BRA-06: A Novel Retrospective 3D K-Space Sorting 4D-MRI Technique Using a Radial K-Space Acquisition MRI Sequence

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

Liu, Y; Subashi, E; Yin, F

Purpose: Current retrospective 4D-MRI provides superior tumor-to-tissue contrast and accurate respiratory motion information for radiotherapy motion management. The developed 4D-MRI techniques based on 2D-MRI image sorting require a high frame-rate of the MR sequences. However, several MRI sequences provide excellent image quality but have low frame-rate. This study aims at developing a novel retrospective 3D k-space sorting 4D-MRI technique using radial k-space acquisition MRI sequences to improve 4D-MRI image quality and temporal-resolution for imaging irregular organ/tumor respiratory motion. Methods: The method is based on a RF-spoiled, steady-state, gradient-recalled sequence with minimal echo time. A 3D radial k-space data acquisition trajectorymore » was used for sampling the datasets. Each radial spoke readout data line starts from the 3D center of Field-of-View. Respiratory signal can be extracted from the k-space center data point of each spoke. The spoke data was sorted based on its self-synchronized respiratory signal using phase sorting. Subsequently, 3D reconstruction was conducted to generate the time-resolved 4D-MRI images. As a feasibility study, this technique was implemented on a digital human phantom XCAT. The respiratory motion was controlled by an irregular motion profile. To validate using k-space center data as a respiratory surrogate, we compared it with the XCAT input controlling breathing profile. Tumor motion trajectories measured on reconstructed 4D-MRI were compared to the average input trajectory. The mean absolute amplitude difference (D) was calculated. Results: The signal extracted from k-space center data matches well with the input controlling respiratory profile of XCAT. The relative amplitude error was 8.6% and the relative phase error was 3.5%. XCAT 4D-MRI demonstrated a clear motion pattern with little serrated artifacts. D of tumor trajectories was 0.21mm, 0.23mm and 0.23mm in SI, AP and ML directions, respectively. Conclusion: A novel retrospective 3D k-space sorting 4D-MRI technique has been developed and evaluated on human digital phantom. NIH (1R21CA165384-01A1)« less

A Fast Exact k-Nearest Neighbors Algorithm for High Dimensional Search Using k-Means Clustering and Triangle Inequality.

PubMed

Wang, Xueyi

2012-02-08

The k-nearest neighbors (k-NN) algorithm is a widely used machine learning method that finds nearest neighbors of a test object in a feature space. We present a new exact k-NN algorithm called kMkNN (k-Means for k-Nearest Neighbors) that uses the k-means clustering and the triangle inequality to accelerate the searching for nearest neighbors in a high dimensional space. The kMkNN algorithm has two stages. In the buildup stage, instead of using complex tree structures such as metric trees, kd-trees, or ball-tree, kMkNN uses a simple k-means clustering method to preprocess the training dataset. In the searching stage, given a query object, kMkNN finds nearest training objects starting from the nearest cluster to the query object and uses the triangle inequality to reduce the distance calculations. Experiments show that the performance of kMkNN is surprisingly good compared to the traditional k-NN algorithm and tree-based k-NN algorithms such as kd-trees and ball-trees. On a collection of 20 datasets with up to 10(6) records and 10(4) dimensions, kMkNN shows a 2-to 80-fold reduction of distance calculations and a 2- to 60-fold speedup over the traditional k-NN algorithm for 16 datasets. Furthermore, kMkNN performs significant better than a kd-tree based k-NN algorithm for all datasets and performs better than a ball-tree based k-NN algorithm for most datasets. The results show that kMkNN is effective for searching nearest neighbors in high dimensional spaces.

Study on the method of maintaining bathtub water temperature

NASA Astrophysics Data System (ADS)

Wang, Xiaoyan

2017-05-01

In order to make the water temperature constant and the spillage to its minimum, we use finite element method and grid transformation and have established an optimized model for people in the bathtub both in time and space, which is based on theories of heat convection and heat conduction and three-dimensional second-order equation. For the first question, we have worked out partial differential equations for three-dimensional heat convection. In the meantime, we also create an optimized temperature model in time and space by using initial conditions and boundary conditions. For the second question we have simulated the shape and volume of the tub and the human gestures in the tub based on the first question. As for the shape and volume of the tub, we draw conclusion that the tub whose surface area is little contains water with higher temperature. Thus, when we are designing bathtubs we can decrease the area so that we'll have less loss heat. For different gestures when people are bathing, we have found that gestures have no obvious influence on variations of water temperature. Finally, we did some simulating calculations, and did some analysis on precision and sensitivity

δ-exceedance records and random adaptive walks

NASA Astrophysics Data System (ADS)

Park, Su-Chan; Krug, Joachim

2016-08-01

We study a modified record process where the kth record in a series of independent and identically distributed random variables is defined recursively through the condition {Y}k\\gt {Y}k-1-{δ }k-1 with a deterministic sequence {δ }k\\gt 0 called the handicap. For constant {δ }k\\equiv δ and exponentially distributed random variables it has been shown in previous work that the process displays a phase transition as a function of δ between a normal phase where the mean record value increases indefinitely and a stationary phase where the mean record value remains bounded and a finite fraction of all entries are records (Park et al 2015 Phys. Rev. E 91 042707). Here we explore the behavior for general probability distributions and decreasing and increasing sequences {δ }k, focusing in particular on the case when {δ }k matches the typical spacing between subsequent records in the underlying simple record process without handicap. We find that a continuous phase transition occurs only in the exponential case, but a novel kind of first order transition emerges when {δ }k is increasing. The problem is partly motivated by the dynamics of evolutionary adaptation in biological fitness landscapes, where {δ }k corresponds to the change of the deterministic fitness component after k mutational steps. The results for the record process are used to compute the mean number of steps that a population performs in such a landscape before being trapped at a local fitness maximum.

A new formula of the Gravitational Curvature for the prism

NASA Astrophysics Data System (ADS)

Grazia D'Urso, Maria

2017-04-01

Gravitational Curvatures (GC) are the components of the third-order gravitational tensor and physically represent the rate of change of the gravity gradient. While scalar, vector and second-order tensor quantities of the Earth's gravitational field have extensively been studied and their properties have been well understood [1], the first successful terrestrial measurements of the third-order vertical gravitational gradients have been recently performed in [2] by atom interferometry sensors in laboratory environment. Possible benefits of the airborne third-order gravitational gradients for exploration geophysics are discussed in [3] while Brieden et al. (2010) [4] have proposed a new satellite mission called OPTical Interferometry for global Mass change detection from space (OPTIMA) sensing the third-order gravitational gradients in space. Moreover, exploitation of GC for modelling the Earth's gravitational field has been object of recent studies [5-7]. We extend the approach presented by the author in previous papers [8-10] by evaluating the algebraic expression of the third-order gravitational tensor for a prism. Comparisons with previous results [11-12] are also included. [1] Freeden W, Schreiner M (2009) Spherical functions of mathematical geosciences. A scalar, vectorial, and tensorial setup. In: Advances in geophysical and environmental mechanics and mathematics. Springer, Berlin [2] Rosi G, Cacciapuoti L, Sorrentino F, Menchetti M, Prevedelli M, Tino GM (2015) Measurements of the gravity-field curvature by atom interferometry. Phys Rev Lett 114:013001 [3] Di Francesco D, Meyer T, Christensen A, FitzGerald D (2009) Gravity gradiometry - today and tomorrow. In: 11th SAGA Biennial technical meeting and exhibition, 13-18 September 2009, Switzerland, pp 80-83 [4] Brieden P, Müller J, Flury J, Heinzel G (2010) The mission OPTIMA - novelties and benefit. In: Geotechnologien science report No. 17, Potsdam, pp 134-139 [5] Šprlák M, Novák P (2015) Integral formulas for computing a third-order gravitational tensor from volumetric mass density, disturbing gravitational potential, gravity anomaly and gravity disturbance. J Geod 89:141-157 [6] Šprlák M, Novák P (2016) Spherical gravitational curvature boundary-value problem. J Geod 90:727-739 [7] Hamáčková E, Šprlák M , Pitoňák M, Novák P (2016) Non-singular expressions for the spherical harmonic synthesis of gravitational curvatures in a local north-oriented reference frame. Comp & Geosc 88: 152-162 [8] D'Urso MG (2012) New expressions of the gravitational potential and its derivates for the prism. In Hotine-Marussi International Symposium on Mathematical Geodesy, 7rd. Sneeuw N, Novak P, Crespi M, Sansò F. Springer-Verlag, Berlin Heidelberg pp. 251-256 [9] D'Urso MG (2013) On the evaluation of the gravity effects of polyhedral bodies and a consistent treatment of related singularities. J Geod 87:239-252 [10] D'Urso MG (2014)Analytical computation of gravity effects for polyhedral bodies. J Geod 88:13-29 [11] Nagy D, Papp G, Benedek J (2000) The gravitational potential and its derivatives for the prism. J Geod 74:552-560 [12] Holstein H, Fitzgerald DJ, H. Stefanov H (2013) Gravimagnetic similarity for homogeneous rectangular prisms. 75th EAGE Conference & Exhibition, London

Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone

DOE PAGES

Hansen, Jared A.; Bauman, Nicholas P.; Shen, Jun; ...

2015-12-09

In this paper, the four, closely spaced, lowest energy electronic states of the challenging, D 4h-symmetric, 1,2,3,4-cyclobutanetetraone (C 4O 4) molecule have been investigated using high-level ab initio methods. The calculated states include the closed-shell singlet 8π( 1A 1g) state, the singlet 10π( 1A 1g) state, in which the π-type lowest unoccupied molecular orbital (LUMO) of the 8π( 1A 1g) reference is doubly occupied and the σ-type highest occupied molecular orbital (HOMO) is empty, and the open-shell singlet and triplet states, designated as 9π( 1B 2u) and 9π( 3B 2u), respectively, originating from single occupancy of the HOMO and LUMO.more » Our focus is on single-reference coupled-cluster (CC) approaches capable of handling electronic near-degeneracies in diradicals, especially the completely renormalised CR-CC(2,3) and active-space CCSDt methods, along with their CCSD and EOMCCSD counterparts. The internally contracted multi-reference configuration interaction calculations with a quasi-degenerate Davidson correction are performed as well. Our computations demonstrate that the state ordering is 9π( 3B 2u) < 8π( 1A 1g) < 9π( 1B 2u) < 10π( 1A 1g) and that the 8π( 1A 1g) - 9π( 3B 2u) gap is in the 7–11 kJ/mol range, in reasonable agreement with the negative ion photoelectron spectroscopy measurements, which give 6.27 ± 0.5 kJ/mol. Finally, in addition to the theory level used, geometry relaxation and basis set play a significant role in determining the state ordering and energy spacings. In particular, it is unsafe to use lower level, non-CC geometries and smaller basis sets.« less

Measurement Invariance of Second-Order Factor Model of the Multifactor Leadership Questionnaire (MLQ) across K-12 Principal Gender

ERIC Educational Resources Information Center

Xu, Lihua; Wubbena, Zane; Stewart, Trae

2016-01-01

Purpose: The purpose of this paper is to investigate the factor structure and the measurement invariance of the Multifactor Leadership Questionnaire (MLQ) across gender of K-12 school principals (n=6,317) in the USA. Design/methodology/approach: Nine first-order factor models and four second-order factor models were tested using confirmatory…

Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercomputer.

PubMed

Jiang, Wei; Luo, Yun; Maragliano, Luca; Roux, Benoît

2012-11-13

An extremely scalable computational strategy is described for calculations of the potential of mean force (PMF) in multidimensions on massively distributed supercomputers. The approach involves coupling thousands of umbrella sampling (US) simulation windows distributed to cover the space of order parameters with a Hamiltonian molecular dynamics replica-exchange (H-REMD) algorithm to enhance the sampling of each simulation. In the present application, US/H-REMD is carried out in a two-dimensional (2D) space and exchanges are attempted alternatively along the two axes corresponding to the two order parameters. The US/H-REMD strategy is implemented on the basis of parallel/parallel multiple copy protocol at the MPI level, and therefore can fully exploit computing power of large-scale supercomputers. Here the novel technique is illustrated using the leadership supercomputer IBM Blue Gene/P with an application to a typical biomolecular calculation of general interest, namely the binding of calcium ions to the small protein Calbindin D9k. The free energy landscape associated with two order parameters, the distance between the ion and its binding pocket and the root-mean-square deviation (rmsd) of the binding pocket relative the crystal structure, was calculated using the US/H-REMD method. The results are then used to estimate the absolute binding free energy of calcium ion to Calbindin D9k. The tests demonstrate that the 2D US/H-REMD scheme greatly accelerates the configurational sampling of the binding pocket, thereby improving the convergence of the potential of mean force calculation.

Mathematical Methods for Physics and Engineering Third Edition Paperback Set

NASA Astrophysics Data System (ADS)

Riley, Ken F.; Hobson, Mike P.; Bence, Stephen J.

2006-06-01

Prefaces; 1. Preliminary algebra; 2. Preliminary calculus; 3. Complex numbers and hyperbolic functions; 4. Series and limits; 5. Partial differentiation; 6. Multiple integrals; 7. Vector algebra; 8. Matrices and vector spaces; 9. Normal modes; 10. Vector calculus; 11. Line, surface and volume integrals; 12. Fourier series; 13. Integral transforms; 14. First-order ordinary differential equations; 15. Higher-order ordinary differential equations; 16. Series solutions of ordinary differential equations; 17. Eigenfunction methods for differential equations; 18. Special functions; 19. Quantum operators; 20. Partial differential equations: general and particular; 21. Partial differential equations: separation of variables; 22. Calculus of variations; 23. Integral equations; 24. Complex variables; 25. Application of complex variables; 26. Tensors; 27. Numerical methods; 28. Group theory; 29. Representation theory; 30. Probability; 31. Statistics; Index.

[Tumor segmentation of brain MRI with adaptive bandwidth mean shift].

PubMed

Hou, Xiaowen; Liu, Qi

2014-10-01

In order to get the adaptive bandwidth of mean shift to make the tumor segmentation of brain magnetic resonance imaging (MRI) to be more accurate, we in this paper present an advanced mean shift method. Firstly, we made use of the space characteristics of brain image to eliminate the impact on segmentation of skull; and then, based on the characteristics of spatial agglomeration of different tissues of brain (includes tumor), we applied edge points to get the optimal initial mean value and the respectively adaptive bandwidth, in order to improve the accuracy of tumor segmentation. The results of experiment showed that, contrast to the fixed bandwidth mean shift method, the method in this paper could segment the tumor more accurately.

Accurate radiative transfer calculations for layered media.

PubMed

Selden, Adrian C

2016-07-01

Simple yet accurate results for radiative transfer in layered media with discontinuous refractive index are obtained by the method of K-integrals. These are certain weighted integrals applied to the angular intensity distribution at the refracting boundaries. The radiative intensity is expressed as the sum of the asymptotic angular intensity distribution valid in the depth of the scattering medium and a transient term valid near the boundary. Integrated boundary equations are obtained, yielding simple linear equations for the intensity coefficients, enabling the angular emission intensity and the diffuse reflectance (albedo) and transmittance of the scattering layer to be calculated without solving the radiative transfer equation directly. Examples are given of half-space, slab, interface, and double-layer calculations, and extensions to multilayer systems are indicated. The K-integral method is orders of magnitude more accurate than diffusion theory and can be applied to layered scattering media with a wide range of scattering albedos, with potential applications to biomedical and ocean optics.

41 CFR 102-83.75 - What is Executive Order 13006?

Code of Federal Regulations, 2012 CFR

2012-01-01

... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION REAL PROPERTY 83-LOCATION OF SPACE Location of Space Urban Areas § 102-83.75 What is Executive Order 13006? Executive Order 13006, entitled “Locating... that have a mission requirement to locate in an urban area to give first consideration to locating...

41 CFR 102-83.75 - What is Executive Order 13006?

Code of Federal Regulations, 2013 CFR

2013-07-01

... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION REAL PROPERTY 83-LOCATION OF SPACE Location of Space Urban Areas § 102-83.75 What is Executive Order 13006? Executive Order 13006, entitled “Locating... that have a mission requirement to locate in an urban area to give first consideration to locating...

Solving ODE Initial Value Problems With Implicit Taylor Series Methods

NASA Technical Reports Server (NTRS)

Scott, James R.

2000-01-01

In this paper we introduce a new class of numerical methods for integrating ODE initial value problems. Specifically, we propose an extension of the Taylor series method which significantly improves its accuracy and stability while also increasing its range of applicability. To advance the solution from t (sub n) to t (sub n+1), we expand a series about the intermediate point t (sub n+mu):=t (sub n) + mu h, where h is the stepsize and mu is an arbitrary parameter called an expansion coefficient. We show that, in general, a Taylor series of degree k has exactly k expansion coefficients which raise its order of accuracy. The accuracy is raised by one order if k is odd, and by two orders if k is even. In addition, if k is three or greater, local extrapolation can be used to raise the accuracy two additional orders. We also examine stability for the problem y'= lambda y, Re (lambda) less than 0, and identify several A-stable schemes. Numerical results are presented for both fixed and variable stepsizes. It is shown that implicit Taylor series methods provide an effective integration tool for most problems, including stiff systems and ODE's with a singular point.

Long T2 suppression in native lung 3-D imaging using k-space reordered inversion recovery dual-echo ultrashort echo time MRI.

PubMed

Gai, Neville D; Malayeri, Ashkan A; Bluemke, David A

2017-08-01

Long T2 species can interfere with visualization of short T2 tissue imaging. For example, visualization of lung parenchyma can be hindered by breathing artifacts primarily from fat in the chest wall. The purpose of this work was to design and evaluate a scheme for long T2 species suppression in lung parenchyma imaging using 3-D inversion recovery double-echo ultrashort echo time imaging with a k-space reordering scheme for artifact suppression. A hyperbolic secant (HS) pulse was evaluated for different tissues (T1/T2). Bloch simulations were performed with the inversion pulse followed by segmented UTE acquisition. Point spread function (PSF) was simulated for a standard interleaved acquisition order and a modulo 2 forward-reverse acquisition order. Phantom and in vivo images (eight volunteers) were acquired with both acquisition orders. Contrast to noise ratio (CNR) was evaluated in in vivo images prior to and after introduction of the long T2 suppression scheme. The PSF as well as phantom and in vivo images demonstrated reduction in artifacts arising from k-space modulation after using the reordering scheme. CNR measured between lung and fat and lung and muscle increased from -114 and -148.5 to +12.5 and 2.8 after use of the IR-DUTE sequence. Paired t test between the CNRs obtained from UTE and IR-DUTE showed significant positive change (p < 0.001 for lung-fat CNR and p = 0.03 for lung-muscle CNR). Full 3-D lung parenchyma imaging with improved positive contrast between lung and other long T2 tissue types can be achieved robustly in a clinically feasible time using IR-DUTE with image subtraction when segmented radial acquisition with k-space reordering is employed.

Degradation of anionic surfactants during drying of UASBR sludges on sand drying beds.

PubMed

Mungray, Arvind Kumar; Kumar, Pradeep

2008-09-01

Anionic surfactant (AS) concentrations in wet up-flow anaerobic sludge blanket reactor (UASBR) sludges from five sewage treatment plants (STPs) were found to range from 4480 to 9,233 mg kg(-1)dry wt. (average 7,347 mg kg(-1)dry wt.) over a period of 18 months. After drying on sand drying beds (SDBs), AS in dried-stabilized sludges averaged 1,452 mg kg(-1)dry wt., a reduction of around 80%. The kinetics of drying followed simple first-order reduction of moisture with value of drying constant (k(d))=0.051 d(-1). Reduction of AS also followed first-order kinetics. AS degradation rate constant (k(AS)) was found to be 0.034 d(-1) and half-life of AS as 20 days. The order of rates of removal observed was k(d)>k(AS)>k(COD)>k(OM) (drying >AS degradation>COD reduction>organic matter reduction). For the three applications of dried-stabilized sludges (soil, agricultural soil, grassland), values of risk quotient (RQ) were found to be <1, indicating no risk.

Combined electrophoresis-electrospray interface and method

DOEpatents

Smith, R.D.; Udseth, H.R.; Olivares, J.A.

1994-10-18

A system and method for analyzing molecular constituents of a composition sample include: forming a solution of the sample, separating the solution by capillary electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5--100 kVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g.,{+-}2--8 kVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit, or by conduction through a sheath electrode discharged in an annular sheath flow about the capillary exit. 21 figs.

Combined electrophoresis-electrospray interface and method

DOEpatents

Smith, R.P.; Udseth, H.R.; Olivares, J.A.

1989-12-05

A system and method for analyzing molecular constituents of a composition sample includes: forming a solution of the sample, separating the solution by capillary electrophoresis into an eluent of constituents longitudinally separated according to their relative electrophoretic mobilities, electrospraying the eluent to form a charged spray in which the molecular constituents have a temporal distribution; and detecting or collecting the separated constituents in accordance with the temporal distribution in the spray. A first high-voltage (e.g., 5--100 kVDC) is applied to the solution. The spray is charged by applying a second high voltage (e.g., [+-]2--8 kVDC) between the eluent at the capillary exit and a cathode spaced in front of the exit. A complete electrical circuit is formed by a conductor which directly contacts the eluent at the capillary exit, or by conduction through a sheath electrode discharged in an annular sheath flow about the capillary exit. 21 figs.

ICE-COLA: towards fast and accurate synthetic galaxy catalogues optimizing a quasi-N-body method

NASA Astrophysics Data System (ADS)

Izard, Albert; Crocce, Martin; Fosalba, Pablo

2016-07-01

Next generation galaxy surveys demand the development of massive ensembles of galaxy mocks to model the observables and their covariances, what is computationally prohibitive using N-body simulations. COmoving Lagrangian Acceleration (COLA) is a novel method designed to make this feasible by following an approximate dynamics but with up to three orders of magnitude speed-ups when compared to an exact N-body. In this paper, we investigate the optimization of the code parameters in the compromise between computational cost and recovered accuracy in observables such as two-point clustering and halo abundance. We benchmark those observables with a state-of-the-art N-body run, the MICE Grand Challenge simulation. We find that using 40 time-steps linearly spaced since zI ˜ 20, and a force mesh resolution three times finer than that of the number of particles, yields a matter power spectrum within 1 per cent for k ≲ 1 h Mpc-1 and a halo mass function within 5 per cent of those in the N-body. In turn, the halo bias is accurate within 2 per cent for k ≲ 0.7 h Mpc-1 whereas, in redshift space, the halo monopole and quadrupole are within 4 per cent for k ≲ 0.4 h Mpc-1. These results hold for a broad range in redshift (0 < z < 1) and for all halo mass bins investigated (M > 1012.5 h-1 M⊙). To bring accuracy in clustering to one per cent level we study various methods that re-calibrate halo masses and/or velocities. We thus propose an optimized choice of COLA code parameters as a powerful tool to optimally exploit future galaxy surveys.

A rapid approach for automated comparison of independently derived stream networks

USGS Publications Warehouse

Stanislawski, Larry V.; Buttenfield, Barbara P.; Doumbouya, Ariel T.

2015-01-01

This paper presents an improved coefficient of line correspondence (CLC) metric for automatically assessing the similarity of two different sets of linear features. Elevation-derived channels at 1:24,000 scale (24K) are generated from a weighted flow-accumulation model and compared to 24K National Hydrography Dataset (NHD) flowlines. The CLC process conflates two vector datasets through a raster line-density differencing approach that is faster and more reliable than earlier methods. Methods are tested on 30 subbasins distributed across different terrain and climate conditions of the conterminous United States. CLC values for the 30 subbasins indicate 44–83% of the features match between the two datasets, with the majority of the mismatching features comprised of first-order features. Relatively lower CLC values result from subbasins with less than about 1.5 degrees of slope. The primary difference between the two datasets may be explained by different data capture criteria. First-order, headwater tributaries derived from the flow-accumulation model are captured more comprehensively through drainage area and terrain conditions, whereas capture of headwater features in the NHD is cartographically constrained by tributary length. The addition of missing headwaters to the NHD, as guided by the elevation-derived channels, can substantially improve the scientific value of the NHD.

Diffraction-Based Optical Switch

NASA Technical Reports Server (NTRS)

Sperno, Stevan M. (Inventor); Fuhr, Peter L. (Inventor); Schipper, John F. (Inventor)

2005-01-01

Method and system for controllably redirecting a light beam, having a central wavelength lambda, from a first light-receiving site to a second light-receiving site. A diffraction grating is attached to or part of a piezoelectric substrate, which is connected to one or two controllable voltage difference sources. When a substrate voltage difference is changed and the diffraction grating length in each of one or two directions is thereby changed, at least one of the diffraction angle, the diffraction order and the central wavelength is controllably changed. A diffracted light beam component, having a given wavelength, diffraction angle and diffraction order, that is initially received at a first light receiving site (e.g., a detector or optical fiber) is thereby controllably shifted or altered and can be received at a second light receiving site. A polynomially stepped, chirped grating is used in one embodiment. In another embodiment, an incident light beam, having at least one of first and second wavelengths, lambda1 and lambda2, is received and diffracted at a first diffraction grating to provide a first diffracted beam. The first diffracted beam is received and diffracted at a second diffraction grating to produce a second diffracted beam. The second diffracted beam is received at a light-sensitive transducer, having at least first and second spaced apart light detector elements that are positioned so that, when the incident light beam has wavelength lambda1 or lambda2 (lambda1 not equal to lambda2), the second diffracted beam is received at the first element or at the second element, respectively; change in a selected physical parameter at the second grating can also be sensed or measured. A sequence of spaced apart light detector elements can be positioned along a linear or curvilinear segment with equal or unequal spacing.

Structural and Crystal Chemical Properties of Alkali Rare-earth Double Phosphates

DOE PAGES

Farmer, James Matthew; Boatner, Lynn A.; Chakoumakos, Bryan C.; ...

2016-01-01

When appropriately activated, alkali rare-earth double phosphates of the form: M 3RE(PO 4) 2 (where M denotes an alkali metal and RE represents either a rare-earth element or Y or Sc) are of interest for use as inorganic scintillators for radiation detection at relatively long optical emission wavelengths. These compounds exhibit layered crystal structures whose symmetry properties depend on the relative sizes of the rare-earth and alkali-metal cations. Single-crystal X-ray and powder neutron diffraction methods were used here to refine the structures of the series of rare-earth double phosphate compounds: K 3RE(PO 4) 2 with RE = Lu, Er, Ho,more » Dy, Gd, Nd, Ce, plus Y and Sc - as well as the compounds: A 3Lu(PO 4) 2, with A = Rb, and Cs. The double phosphate K 3Lu(PO 4) 2 was reported and structurally refined previously. This material had a hexagonal unit cell at room temperature with the Lu ion six-fold coordinated with oxygen atoms of the surrounding phosphate groups. Additionally two lower-temperature phases were observed for K 3Lu(PO 4) 2. The first phase transition to a monoclinic P21/m phase occurred at ~230 K, and the Lu ion retained its six-fold coordination. The second K 3Lu(PO 4) 2 phase transition occurred at ~130 K. The P21/m space group symmetry was retained, however, one of the phosphate groups rotated to increase the oxygen coordination number of Lu from six to seven. This structure then became isostructural with the room-temperature form of the compound K 3Yb(PO 4) 2 reported here that also exhibits an additional high-temperature phase which occurs at T = 120 °C with a transformation to hexagonal P-3 space group symmetry and a Yb-ion coordination number reduction from seven to six. This latter result was confirmed using EXAFS. The single-crystal growth methods structural systematics, and thermal expansion properties of the present series of alkali rare-earth double phosphates, as determined by X-ray and neutron diffraction methods, are treated here.« less

Structural and Crystal Chemical Properties of Alkali Rare-earth Double Phosphates

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

Farmer, James Matthew; Boatner, Lynn A.; Chakoumakos, Bryan C.

When appropriately activated, alkali rare-earth double phosphates of the form: M 3RE(PO 4) 2 (where M denotes an alkali metal and RE represents either a rare-earth element or Y or Sc) are of interest for use as inorganic scintillators for radiation detection at relatively long optical emission wavelengths. These compounds exhibit layered crystal structures whose symmetry properties depend on the relative sizes of the rare-earth and alkali-metal cations. Single-crystal X-ray and powder neutron diffraction methods were used here to refine the structures of the series of rare-earth double phosphate compounds: K 3RE(PO 4) 2 with RE = Lu, Er, Ho,more » Dy, Gd, Nd, Ce, plus Y and Sc - as well as the compounds: A 3Lu(PO 4) 2, with A = Rb, and Cs. The double phosphate K 3Lu(PO 4) 2 was reported and structurally refined previously. This material had a hexagonal unit cell at room temperature with the Lu ion six-fold coordinated with oxygen atoms of the surrounding phosphate groups. Additionally two lower-temperature phases were observed for K 3Lu(PO 4) 2. The first phase transition to a monoclinic P21/m phase occurred at ~230 K, and the Lu ion retained its six-fold coordination. The second K 3Lu(PO 4) 2 phase transition occurred at ~130 K. The P21/m space group symmetry was retained, however, one of the phosphate groups rotated to increase the oxygen coordination number of Lu from six to seven. This structure then became isostructural with the room-temperature form of the compound K 3Yb(PO 4) 2 reported here that also exhibits an additional high-temperature phase which occurs at T = 120 °C with a transformation to hexagonal P-3 space group symmetry and a Yb-ion coordination number reduction from seven to six. This latter result was confirmed using EXAFS. The single-crystal growth methods structural systematics, and thermal expansion properties of the present series of alkali rare-earth double phosphates, as determined by X-ray and neutron diffraction methods, are treated here.« less

Cycle Analysis of a New Air Engine Design

NASA Astrophysics Data System (ADS)

Attar, Wiam Fadi

This thesis investigates a new externally heated engine design being developed by Soony Systems Inc. to serve as the prime mover in a residential-scale combined heat and power system. This is accomplished by developing a thermodynamic model for the engine and sweeping through the design parameter space in order to identify designs that maximize power output, efficiency, and brake mean effective pressure (BMEP). It was discovered that the original engine design was flawed so a new design was proposed and analyzed. The thermodynamic model was developed in four stages. The first model was quasi-static while the other three were time-dependent and used increasingly realistic models of the heat exchangers. For the range of design parameters investigated here, the peak power output is 6.8 kW, the peak efficiency is approximately 60%, and the peak BMEP is 389 kPa. These performance levels are compared to those of other closed-cycle engines. The results suggest that the Soony engine has the potential to be more efficient than Stirlings because it more closely approximates the Carnot cycle, but this comes at the cost of significantly lower BMEP (389 kPa vs. 2,760 kPa for the SOLO Stirling engine).

Kinetics of the reaction of HO2 with ozone

NASA Astrophysics Data System (ADS)

Zahniser, Mark S.; Howard, Carleton J.

1980-08-01

Rate constants were measured for the reaction HO2+O3→OH+2O2(k1) using a discharge-flow system with laser magnetic resonance detection of both HO2 and OH. k1 was determined directly from the first order decay of HO2 in excess O3 when C2F3Cl was added to scavenge the OH product and prevent interference from the faster reaction OH+O3→HO2+O2(k2). The ratio k2/k1 was independently determined from the steady-state [HO2]/[OH] ratio obtained without C2F3Cl. Results from the scavenger method are given by k1= (1.4±0.4)×10-14 exp [-(580±100)/T] cm3 s-1 for 245 K

Synthesis and characterisation of the n = 2 Ruddlesden–Popper phases Ln{sub 2}Sr(Ba)Fe{sub 2}O{sub 7} (Ln = La, Nd, Eu)

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

Gurusinghe, Nicola N.M.; Figuera, Juand de la; Marco, José F.

2013-09-01

Graphical abstract: - Highlights: • Some Ruddlesden–Popper phases have been characterised. • Substitution on the A site influences cationic order. • The magnetic moment redirects with temperature - Abstract: A series of n = 2 Ruddlesden–Popper phases A{sub 2}B{sub 2}O{sub 7} of composition Ln{sub 2}Sr(Ba)Fe{sub 2}O{sub 7} (Ln = La, Nd, Eu) have been prepared. La{sub 2}SrFe{sub 2}O{sub 7} and La{sub 2}BaFe{sub 2}O{sub 7} crystallise in the tetragonal space group I4/mmm. The structures of Eu{sub 2}SrFe{sub 2}O{sub 7} and Nd{sub 2}SrFe{sub 2}O{sub 7} are best described in space group P4{sub 2}/mnm. Substitution on the A site with smaller lanthanide- andmore » larger alkaline metal- ions leads to enhanced cationic order in these phases and reflects increasing differences in cationic radii. All the compounds are antiferromagnetically ordered between 298 and 2 K. In La{sub 2}SrFe{sub 2}O{sub 7} the magnetic moment lies along [1 1 0] at all temperatures between 298 and 2 K whereas in La{sub 2}BaFe{sub 2}O{sub 7} the magnetic moment at 298 K lies along the crystallographic x-axis but redirects from the [1 0 0] to the [1 1 0] direction between 210 and 190 K and is retained in this direction until 2 K. In Nd{sub 2}SrFe{sub 2}O{sub 7} the magnetic moment at 298 K lies along [1 1 0] but rotates from [1 1 0] to [0 0 1] between 17 and 9 K. A series of {sup 57}Fe Mössbauer spectra recorded from La{sub 2}SrFe{sub 2}O{sub 7} between 290 and 600 K indicate a magnetic ordering temperature of T{sub N} ≥ 535 K.« less

RF Pulse Design using Nonlinear Gradient Magnetic Fields

PubMed Central

Kopanoglu, Emre; Constable, R. Todd

2014-01-01

Purpose An iterative k-space trajectory and radio-frequency (RF) pulse design method is proposed for Excitation using Nonlinear Gradient Magnetic fields (ENiGMa). Theory and Methods The spatial encoding functions (SEFs) generated by nonlinear gradient fields (NLGFs) are linearly dependent in Cartesian-coordinates. Left uncorrected, this may lead to flip-angle variations in excitation profiles. In the proposed method, SEFs (k-space samples) are selected using a Matching-Pursuit algorithm, and the RF pulse is designed using a Conjugate-Gradient algorithm. Three variants of the proposed approach are given: the full-algorithm, a computationally-cheaper version, and a third version for designing spoke-based trajectories. The method is demonstrated for various target excitation profiles using simulations and phantom experiments. Results The method is compared to other iterative (Matching-Pursuit and Conjugate Gradient) and non-iterative (coordinate-transformation and Jacobian-based) pulse design methods as well as uniform density spiral and EPI trajectories. The results show that the proposed method can increase excitation fidelity significantly. Conclusion An iterative method for designing k-space trajectories and RF pulses using nonlinear gradient fields is proposed. The method can either be used for selecting the SEFs individually to guide trajectory design, or can be adapted to design and optimize specific trajectories of interest. PMID:25203286

Bamboo Classification Using WorldView-2 Imagery of Giant Panda Habitat in a Large Shaded Area in Wolong, Sichuan Province, China.

PubMed

Tang, Yunwei; Jing, Linhai; Li, Hui; Liu, Qingjie; Yan, Qi; Li, Xiuxia

2016-11-22

This study explores the ability of WorldView-2 (WV-2) imagery for bamboo mapping in a mountainous region in Sichuan Province, China. A large area of this place is covered by shadows in the image, and only a few sampled points derived were useful. In order to identify bamboos based on sparse training data, the sample size was expanded according to the reflectance of multispectral bands selected using the principal component analysis (PCA). Then, class separability based on the training data was calculated using a feature space optimization method to select the features for classification. Four regular object-based classification methods were applied based on both sets of training data. The results show that the k -nearest neighbor ( k -NN) method produced the greatest accuracy. A geostatistically-weighted k -NN classifier, accounting for the spatial correlation between classes, was then applied to further increase the accuracy. It achieved 82.65% and 93.10% of the producer's and user's accuracies respectively for the bamboo class. The canopy densities were estimated to explain the result. This study demonstrates that the WV-2 image can be used to identify small patches of understory bamboos given limited known samples, and the resulting bamboo distribution facilitates the assessments of the habitats of giant pandas.

Differential substrate behaviour of phenol and aniline derivatives during oxidation by horseradish peroxidase: kinetic evidence for a two-step mechanism.

PubMed

Gilabert, María Angeles; Hiner, Alexander N P; García-Ruiz, Pedro Antonio; Tudela, José; García-Molina, Francisco; Acosta, Manuel; García-Cánovas, Francisco; Rodríguez-López, José Neptuno

2004-06-01

The catalytic constant (k(cat)) and the second-order association constant of compound II with reducing substrate (k(5)) of horseradish peroxidase C (HRPC) acting on phenols and anilines have been determined from studies of the steady-state reaction velocities (V(0) vs. [S(0)]). Since k(cat)=k(2)k(6)/k(2)+k(6), and k(2) (the first-order rate constant for heterolytic cleavage of the oxygen-oxygen bond of hydrogen peroxide during compound I formation) is known, it has been possible to calculate the first-order rate constant for the transformation of each phenol or aniline by HRPC compound II (k(6)). The values of k(6) are quantitatively correlated to the sigma values (Hammett equation) and can be rationalized by an aromatic substrate oxidation mechanism in which the substrate donates an electron to the oxyferryl group in HRPC compound II, accompanied by two proton additions to the ferryl oxygen atom, one from the substrate and the other the protein or solvent. k(6) is also quantitatively correlated to the experimentally determined (13)C-NMR chemical shifts (delta(1)) and the calculated ionization potentials, E (HOMO), of the substrates. Similar dependencies were observed for k(cat) and k(5). From the kinetic analysis, the absolute values of the Michaelis constants for hydrogen peroxide and the reducing substrates (K(M)(H(2)O(2)) and K(M)(S)), respectively, were obtained.

SU-G-IeP1-13: Sub-Nyquist Dynamic MRI Via Prior Rank, Intensity and Sparsity Model (PRISM)

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

Jiang, B; Gao, H

Purpose: Accelerated dynamic MRI is important for MRI guided radiotherapy. Inspired by compressive sensing (CS), sub-Nyquist dynamic MRI has been an active research area, i.e., sparse sampling in k-t space for accelerated dynamic MRI. This work is to investigate sub-Nyquist dynamic MRI via a previously developed CS model, namely Prior Rank, Intensity and Sparsity Model (PRISM). Methods: The proposed method utilizes PRISM with rank minimization and incoherent sampling patterns for sub-Nyquist reconstruction. In PRISM, the low-rank background image, which is automatically calculated by rank minimization, is excluded from the L1 minimization step of the CS reconstruction to further sparsify themore » residual image, thus allowing for higher acceleration rates. Furthermore, the sampling pattern in k-t space is made more incoherent by sampling a different set of k-space points at different temporal frames. Results: Reconstruction results from L1-sparsity method and PRISM method with 30% undersampled data and 15% undersampled data are compared to demonstrate the power of PRISM for dynamic MRI. Conclusion: A sub- Nyquist MRI reconstruction method based on PRISM is developed with improved image quality from the L1-sparsity method.« less

Identifying the critical point of the weakly first-order itinerant magnet DyCo2 with complementary magnetization and calorimetric measurements

NASA Astrophysics Data System (ADS)

Morrison, K.; Dupas, A.; Mudryk, Y.; Pecharsky, V. K.; Gschneidner, K. A.; Caplin, A. D.; Cohen, L. F.

2013-04-01

We examine the character of the itinerant magnetic transition of DyCo2 by different calorimetric methods, thereby separating the heat capacity and latent heat contributions to the entropy—allowing direct comparison to other itinerant electron metamagnetic systems. The heat capacity exhibits a large λ-like peak at the ferrimagnetic ordering phase transition, a signature that is remarkably similar to La(Fe,Si)13, where it is attributed to giant spin fluctuations. Using calorimetric measurements, we also determine the point at which the phase transition ceases to be first order: the critical magnetic field, μ0Hcrit = 0.4 ± 0.1 T and temperature Tcrit = 138.5 ± 0.5 K, and we compare these values to those obtained from analysis of magnetization by application of the Shimizu inequality for itinerant electron metamagnetism. Good agreement is found between these independent measurements, thus establishing the phase diagram and critical point with some confidence. In addition, we find that the often-used Banerjee criterion may not be suitable for determination of first order behavior in itinerant magnet systems.

The molecular and electronic structure of s-tetrazine in the ground and first excited state: A theoretical investigation

NASA Astrophysics Data System (ADS)

Schütz, Martin; Hutter, Jürg; Lüthi, Hans Peter

1995-10-01

The ground- and first excited state of s-tetrazine arising from a π*←n excitation (1Ag,1B3u) have been studied using the complete active space (CASSCF) and the second order multiconfiguration perturbation theory (CASPT2) ab initio methods. The focus of this study is on the effect of the electronic excitation on the molecular structure and on those electronic properties which are important to model the solvatochromatic behavior of the molecule in polymer matrices as used in permanent hole burning experiments. Since the accurate computation of excited state molecular properties represents a major challenge for today's numerical quantum chemistry, some technical aspects are also considered. The present study shows that the change in geometry upon electronic excitation is small. This is in partial contradiction with the experimental studies which however disagree among themselves [see K. K. Innes, I. G. Ross, and W. R. Moomaw, J. Mol. Spectrosc. 132, 492 (1988), and R. E. Smalley, L. Wharton, and D. H. Levi, ibid. 66, 375 (1977)]. This study also confirms that the first excited state equilibrium structure is of D2h symmetry. In an earlier theoretical study it was found that the D2h symmetry structure may represent a saddle point rather than a minimum on the excited state potential surface [see A. C. Scheiner and H. F. Schaefer III, J. Chem. Phys. 87, 3539 (1987)]. In the first excited state, we observe an increase of the mean polarizability of s-tetrazine along with an enhanced anisotropy. The change in the polarizability is almost exclusively in the ``in-plane'' components of the tensor; the polarizability in the vertical direction is nearly unchanged. This observation questions recent experimental results reported for this molecule [see S. Heitz, D. Weidnauer, and A. Hese, J. Chem. Phys. 95, 7952 (1991)].

Optical tractor Bessel polarized beams

NASA Astrophysics Data System (ADS)

Mitri, F. G.; Li, R. X.; Guo, L. X.; Ding, C. Y.

2017-01-01

Axial and transverse radiation force cross-sections of optical tractor Bessel polarized beams are theoretically investigated for a dielectric sphere with particular emphasis on the beam topological charge (or order), half-cone angle and polarization. The angular spectrum decomposition method (ASDM) is used to derive the non-paraxial electromagnetic (EM) field components of the Bessel beams. The multipole expansion method using vector spherical harmonics is utilized and appropriate beam-shape coefficients are derived in order to compute the radiation force cross-sections. The analysis has no limitation to a particular range of frequencies such that the Rayleigh, Mie or geometrical optics regimes can all be considered effectively using the present rigorous formalism. The focus of this investigation is to identify some of the tractor beam conditions so as to achieve retrograde motion of a dielectric sphere located arbitrarily in space. Numerical computations for the axial and transverse radiation force cross-sections are presented for linear, right-circular, radial, azimuthal and mixed polarizations of the individual plane waves forming the Bessel beams of zeroth- and first-order (with positive or negative helicity), respectively. As the sphere shifts off the beam's axis, the axial pulling (tractor) force is weakened. Moreover, the transverse radiation force cross-section field changes with the sphere's size factor ka (where k is the wavenumber and a is the sphere radius). Both stable and unstable equilibrium regions around the beam's axis are found, depending on the choice of ka and the half-cone angle α0. These results are particularly important in the development of emergent technologies for the photophoretic assembly of optically-engineered (meta)materials with designed properties using optical tractor (vortex) beams, particle manipulation, levitation and positioning, and other applications.

Demonstration of charge breeding in a compact room temperature electron beam ion trap

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

Vorobjev, G.; Sokolov, A.; Herfurth, F.

2012-05-15

For the first time, a small room-temperature electron beam ion trap (EBIT), operated with permanent magnets, was successfully used for charge breeding experiments. The relatively low magnetic field of this EBIT does not contribute to the capture of the ions; single-charged ions are only caught by the space charge potential of the electron beam. An over-barrier injection method was used to fill the EBIT's electrostatic trap with externally produced, single-charged potassium ions. Charge states as high as K{sup 19+} were reached after about a 3 s breeding time. The capture and breeding efficiencies up to 0.016(4)% for K{sup 17+} havemore » been measured.« less

A new method for detecting small and dim targets in starry background

NASA Astrophysics Data System (ADS)

Yao, Rui; Zhang, Yanning; Jiang, Lei

2011-08-01

Small visible optical space targets detection is one of the key issues in the research of long-range early warning and space debris surveillance. The SNR(Signal to Noise Ratio) of the target is very low because of the self influence of image device. Random noise and background movement also increase the difficulty of target detection. In order to detect small visible optical space targets effectively and rapidly, we bring up a novel detecting method based on statistic theory. Firstly, we get a reasonable statistical model of visible optical space image. Secondly, we extract SIFT(Scale-Invariant Feature Transform) feature of the image frames, and calculate the transform relationship, then use the transform relationship to compensate whole visual field's movement. Thirdly, the influence of star was wiped off by using interframe difference method. We find segmentation threshold to differentiate candidate targets and noise by using OTSU method. Finally, we calculate statistical quantity to judge whether there is the target for every pixel position in the image. Theory analysis shows the relationship of false alarm probability and detection probability at different SNR. The experiment result shows that this method could detect target efficiently, even the target passing through stars.

Least-squares finite element methods for compressible Euler equations

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Carey, G. F.

1990-01-01

A method based on backward finite differencing in time and a least-squares finite element scheme for first-order systems of partial differential equations in space is applied to the Euler equations for gas dynamics. The scheme minimizes the L-sq-norm of the residual within each time step. The method naturally generates numerical dissipation proportional to the time step size. An implicit method employing linear elements has been implemented and proves robust. For high-order elements, computed solutions based on the L-sq method may have oscillations for calculations at similar time step sizes. To overcome this difficulty, a scheme which minimizes the weighted H1-norm of the residual is proposed and leads to a successful scheme with high-degree elements. Finally, a conservative least-squares finite element method is also developed. Numerical results for two-dimensional problems are given to demonstrate the shock resolution of the methods and compare different approaches.

AB INITIO Molecular Dynamics Simulations on Local Structure and Electronic Properties in Liquid Sb from 913 K to 1193 K

NASA Astrophysics Data System (ADS)

Hao, Qing-Hai; Li, Y. D.; Kong, Xiang-Shan; Liu, C. S.

2013-02-01

Ab initio molecular dynamics simulations on liquid Sb have been carried out at five different temperatures from 913 K to 1193 K. We have investigated the temperature dependence of structure properties including structural factor S(Q), pair correlation function g(r), bond-angle distribution function g3(θ), cluster properties and bond order parameter Q4 and Q6. A shoulder was reproduced in the high wave number side of the first peak in the S(Q) implying that the residual structure units of crystalline Sb remain in liquid Sb. There is a noticeable bend at around 1023 K in the temperature dependence of the first-peak height of S(Q), the cluster properties and bond order parameter Q4, respectively, indicating that an abnormal structural change may occur at 973-1023 K.

A 100 kW-Class Technology Demonstrator for Space Solar Power

NASA Astrophysics Data System (ADS)

Howell, J.; Carrington, C.; Day, G.

2004-12-01

A first step in the development of solar power from space is the flight demonstration of critical technologies. These fundamental technologies include efficient solar power collection and generation, power management and distribution, and thermal management. In addition, the integration and utilization of these technologies into a viable satellite bus could provide an energy-rich platform for a portfolio of payload experiments such as wireless power transmission (WPT). This paper presents the preliminary design of a concept for a 100 kW-class free-flying platform suitable for flight demonstration of Space Solar Power (SSP) technology experiments.

Revisiting the magnetic structure and charge ordering in La1 /3Sr2 /3FeO3 by neutron powder diffraction and Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Li, F.; Pomjakushin, V.; Mazet, T.; Sibille, R.; Malaman, B.; Yadav, R.; Keller, L.; Medarde, M.; Conder, K.; Pomjakushina, E.

2018-05-01

The magnetic ordering of La1 /3Sr2 /3FeO3 perovskite has been studied by neutron powder diffraction and 57Fe Mössbauer spectroscopy down to 2 K. From symmetry analysis, a chiral helical model and a collinear model are proposed to describe the magnetic structure. Both are commensurate, with propagation vector k =(0 ,0 ,1 ) in R 3 ¯c space group. In the former model, the magnetic moments of Fe adopt the magnetic space group P 3221 and have helical and antiferromagnetic ordering propagating along the c axis. The model allows only a single Fe site, with a magnetic moment of 3.46(2)μB at 2 K. In the latter model, the magnetic moments of iron ions adopt the magnetic space group C 2 /c or C 2'/c' and are aligned collinearly. The model allows the presence of two inequivalent Fe sites with magnetic moments of amplitude 3.26(3)μB and 3.67(2)μB, respectively. The neutron-diffraction pattern is equally well fitted by either model. The Mössbauer spectroscopy study suggests a single charge state Fe3.66 + above the magnetic transition and a charge disproportionation into Fe(3.66 -ζ )+ and Fe(3.66 +2 ζ )+ below the magnetic transition. The compatibility of the magnetic structure models with the Mössbauer spectroscopy results is discussed.

SnO2/Pt Thin Film Laser Ablated Gas Sensor Array

PubMed Central

Shahrokh Abadi, Mohammad Hadi; Hamidon, Mohd Nizar; Shaari, Abdul Halim; Abdullah, Norhafizah; Wagiran, Rahman

2011-01-01

A gas sensor array was developed in a 10 × 10 mm2 space using Screen Printing and Pulse Laser Ablation Deposition (PLAD) techniques. Heater, electrode, and an insulator interlayer were printed using the screen printing method on an alumina substrate, while tin oxide and platinum films, as sensing and catalyst layers, were deposited on the electrode at room temperature using the PLAD method, respectively. To ablate SnO2 and Pt targets, depositions were achieved by using a 1,064 nm Nd-YAG laser, with a power of 0.7 J/s, at different deposition times of 2, 5 and 10 min, in an atmosphere containing 0.04 mbar (4 kPa) of O2. A range of spectroscopic diffraction and real space imaging techniques, SEM, EDX, XRD, and AFM were used in order to characterize the surface morphology, structure, and composition of the films. Measurement on the array shows sensitivity to some solvent and wood smoke can be achieved with short response and recovery times. PMID:22164041

First-order ferromagnetic to helimagnetic transition in MgMn6Ge6

NASA Astrophysics Data System (ADS)

Mazet, T.; Ihou-Mouko, H.; Malaman, B.

2008-02-01

The magnetic and magnetocaloric properties of the new HfFe6Ge6-type (P6/mmm) MgMn6Ge6 compound have been studied by magnetic measurements and powder neutron diffraction experiments. MgMn6Ge6 magnetically orders at TC˜345 K in a ferromagnetic easy-plane arrangement. At TAF˜235 K, it undergoes a first-order transition to a helical structure, characterized by a temperature dependent propagation vector k =⟨0,0,qz⟩ (qz˜0.116 reciprocal lattice units at 1.4 K), without structural modification. The Mn atoms carry a magnetic moment of about 2 μB. A metamagnetic transition with a low critical field (Hcr<1 T) is observed below TAF. At low temperature, both magnetic and magnetocaloric data strongly suggest that some kinds of intermediate noncollinear ferromagnetic arrangements are stabilized above the critical field while the pure ferromagnetic state is obtained for significantly higher magnetic fields (H >5 T). The magnitude of the magnetic entropy change at TC (-ΔSM˜20.5 mJ cm-3 K-1 for ΔH =5 T) is about 25% that of Gd metal. The magnetocaloric effect at the order-order transition is of opposite sign and of lower magnitude.

Kernel Wiener filter and its application to pattern recognition.

PubMed

Yoshino, Hirokazu; Dong, Chen; Washizawa, Yoshikazu; Yamashita, Yukihiko

2010-11-01

The Wiener filter (WF) is widely used for inverse problems. From an observed signal, it provides the best estimated signal with respect to the squared error averaged over the original and the observed signals among linear operators. The kernel WF (KWF), extended directly from WF, has a problem that an additive noise has to be handled by samples. Since the computational complexity of kernel methods depends on the number of samples, a huge computational cost is necessary for the case. By using the first-order approximation of kernel functions, we realize KWF that can handle such a noise not by samples but as a random variable. We also propose the error estimation method for kernel filters by using the approximations. In order to show the advantages of the proposed methods, we conducted the experiments to denoise images and estimate errors. We also apply KWF to classification since KWF can provide an approximated result of the maximum a posteriori classifier that provides the best recognition accuracy. The noise term in the criterion can be used for the classification in the presence of noise or a new regularization to suppress changes in the input space, whereas the ordinary regularization for the kernel method suppresses changes in the feature space. In order to show the advantages of the proposed methods, we conducted experiments of binary and multiclass classifications and classification in the presence of noise.

Probabilistic Analysis of a Composite Crew Module

NASA Technical Reports Server (NTRS)

Mason, Brian H.; Krishnamurthy, Thiagarajan

2011-01-01

An approach for conducting reliability-based analysis (RBA) of a Composite Crew Module (CCM) is presented. The goal is to identify and quantify the benefits of probabilistic design methods for the CCM and future space vehicles. The coarse finite element model from a previous NASA Engineering and Safety Center (NESC) project is used as the baseline deterministic analysis model to evaluate the performance of the CCM using a strength-based failure index. The first step in the probabilistic analysis process is the determination of the uncertainty distributions for key parameters in the model. Analytical data from water landing simulations are used to develop an uncertainty distribution, but such data were unavailable for other load cases. The uncertainty distributions for the other load scale factors and the strength allowables are generated based on assumed coefficients of variation. Probability of first-ply failure is estimated using three methods: the first order reliability method (FORM), Monte Carlo simulation, and conditional sampling. Results for the three methods were consistent. The reliability is shown to be driven by first ply failure in one region of the CCM at the high altitude abort load set. The final predicted probability of failure is on the order of 10-11 due to the conservative nature of the factors of safety on the deterministic loads.

"A space-time ensemble Kalman filter for state and parameter estimation of groundwater transport models"

NASA Astrophysics Data System (ADS)

Briseño, Jessica; Herrera, Graciela S.

2010-05-01

Herrera (1998) proposed a method for the optimal design of groundwater quality monitoring networks that involves space and time in a combined form. The method was applied later by Herrera et al (2001) and by Herrera and Pinder (2005). To get the estimates of the contaminant concentration being analyzed, this method uses a space-time ensemble Kalman filter, based on a stochastic flow and transport model. When the method is applied, it is important that the characteristics of the stochastic model be congruent with field data, but, in general, it is laborious to manually achieve a good match between them. For this reason, the main objective of this work is to extend the space-time ensemble Kalman filter proposed by Herrera, to estimate the hydraulic conductivity, together with hydraulic head and contaminant concentration, and its application in a synthetic example. The method has three steps: 1) Given the mean and the semivariogram of the natural logarithm of hydraulic conductivity (ln K), random realizations of this parameter are obtained through two alternatives: Gaussian simulation (SGSim) and Latin Hypercube Sampling method (LHC). 2) The stochastic model is used to produce hydraulic head (h) and contaminant (C) realizations, for each one of the conductivity realizations. With these realization the mean of ln K, h and C are obtained, for h and C, the mean is calculated in space and time, and also the cross covariance matrix h-ln K-C in space and time. The covariance matrix is obtained averaging products of the ln K, h and C realizations on the estimation points and times, and the positions and times with data of the analyzed variables. The estimation points are the positions at which estimates of ln K, h or C are gathered. In an analogous way, the estimation times are those at which estimates of any of the three variables are gathered. 3) Finally the ln K, h and C estimate are obtained using the space-time ensemble Kalman filter. The realization mean for each one of the variables is used as the prior space-time estimate for the Kalman filter, and the space-time cross-covariance matrix of h-ln K-C as the prior estimate-error covariance-matrix. The synthetic example has a modeling area of 700 x 700 square meters; a triangular mesh model with 702 nodes and 1306 elements is used. A pumping well located in the central part of the study area is considered. For the contaminant transport model, a contaminant source area is present in the western part of the study area. The estimation points for hydraulic conductivity, hydraulic head and contaminant concentrations are located on a submesh of the model mesh (same location for h, ln K and c), composed by 48 nodes spread throughout the study area, with an approximately separation of 90 meters between nodes. The results analysis was done through the mean error, root mean square error, initial and final estimation maps of h, ln K and C at each time, and the initial and final variance maps of h, ln K and C. To obtain model convergence, 3000 realizations of ln K were required using SGSim, and only 1000 with LHC. The results show that for both alternatives, the Kalman filter estimates for h, ln K and C using h and C data, have errors which magnitudes decrease as data is added. HERRERA, G. S.(1998), Cost Effective Groundwater Quality Sampling Network Design. Ph. D. thesis, University of Vermont, Burlington, Vermont, 172 pp. HERRERA G., GUARNACCIA J., PINDER G. Y SIMUTA R.(2001),"Diseño de redes de monitoreo de la calidad del agua subterránea eficientes", Proceedings of the 2001 International Symposium on Environmental Hydraulics, Arizona, U.S.A. HERRERA G. S. and PINDER G.F. (2005), Space-time optimization of groundwater quality sampling networks Water Resour. Res., Vol. 41, No. 12, W12407, 10.1029/2004WR003626.

Evaluation of corneal topographic changes and surgically induced astigmatism after transconjunctival 27-gauge microincision vitrectomy surgery.

PubMed

Tekin, Kemal; Sonmez, Kenan; Inanc, Merve; Ozdemir, Kubra; Goker, Yasin Sakir; Yilmazbas, Pelin

2018-04-01

To evaluate the corneal topographic changes and postvitrectomy astigmatism after 27-gauge (g) microincision vitrectomy surgery (MIVS) by using Pentacam HR-Scheimpflug imaging system. This prospective descriptive study included 30 eyes of 30 patients who underwent 27-g MIVS. All eyes underwent a Pentacam HR examination preoperatively and on the first week, first month and third month postoperatively. The power of the corneal astigmatism, mean keratometry (K m ), K 1 and K 2 values and corneal asphericity (Q value) values for the both front and back surfaces of the cornea, index of surface variance (ISV), index of vertical asymmetry (IVA), index of height asymmetry (IHA), index of height decentration (IHD) and higher-order aberrations including coma, trefoil, spherical aberration, higher-order root-mean-square and total RMS were recorded. Additionally, the mean induced astigmatism was estimated by vector analysis. No statistically significant changes were observed in the mean power of corneal astigmatism, mean keratometry, K 1 and K 2 values, corneal asphericity values, ISV, IVA, IHA, IHD and higher-order aberrations on the first week, first month and third month after the operation. The mean surgically induced astigmatism was calculated as 0.23 ± 0.11 D on the first week, 0.19 ± 0.10 D on the first month and 0.19 ± 0.08 D on the third month postoperatively. Minor corneal surface and induced astigmatic changes are expected to result in rapid visual rehabilitation after pars plana vitrectomy with the 27-g MIVS system.

Study of XAFS of some Fe compounds and determination of first shell radial distance

NASA Astrophysics Data System (ADS)

Parsai, Neetu; Mishra, Ashutosh

2017-05-01

X-ray absorption fine structure (XAFS) of some Fe compounds have been studied using the latest XAFS analysis software Demeter with Strawberry Perl. The processed XAFS data of the Fe compounds have been taken from available model compound library. The XAFS data have been processed to plot the µ(E) verses E spectra. These spectra have been converted into K-space, R-space and q-space. R-space spectra have been used to obtain first shell radial distance in Fe compounds. Structural parameters like first shell radial distance is useful in determination of bond length in Fe compounds. Hence the study play important role in biological applications.

A Near IR Fabry-Perot Interferometer for Wide Field, Low Resolution Hyperspectral Imaging on the Next Generation Space Telescope

NASA Technical Reports Server (NTRS)

Barry, R. K.; Satyapal, S.; Greenhouse, M. A.; Barclay, R.; Amato, D.; Arritt, B.; Brown, G.; Harvey, V.; Holt, C.; Kuhn, J.

2000-01-01

We discuss work in progress on a near-infrared tunable bandpass filter for the Goddard baseline wide field camera concept of the Next Generation Space Telescope (NGST) Integrated Science Instrument Module (ISIM). This filter, the Demonstration Unit for Low Order Cryogenic Etalon (DULCE), is designed to demonstrate a high efficiency scanning Fabry-Perot etalon operating in interference orders 1 - 4 at 30K with a high stability DSP based servo control system. DULCE is currently the only available tunable filter for lower order cryogenic operation in the near infrared. In this application, scanning etalons will illuminate the focal plane arrays with a single order of interference to enable wide field lower resolution hyperspectral imaging over a wide range of redshifts. We discuss why tunable filters are an important instrument component in future space-based observatories.

A High-Energy Technology Demonstration Platfom: The First Step in a Stepping Stones Approach to Energy-Rich Space Infrastructures

NASA Technical Reports Server (NTRS)

Carrington, Connie; Day, Greg

2004-01-01

The sun provides an abundant source of energy in space, which can be used to power exploration vehicles and infrastructures that support exploration. A first step in developing and demonstrating the necessary technologies to support solar-powered exploration could be a 100-kWe-class solar-powered platform in Earth orbit. This platform would utilize advanced technologies in solar power collection and generation, power management and distribution, thermal management, and electric propulsion. It would also provide a power-rich free-flying platform to demonstrate in space a portfolio of technology flight experiments. This paper presents a preliminary design concept for a 100-kWe solar-powered satellite with the capability to use high-powered electric propulsion, and to flight-demonstrate a variety of payload experiments.

Theory of low-power ultra-broadband terahertz sideband generation in bi-layer graphene

PubMed Central

Crosse, J. A.; Xu, Xiaodong; Sherwin, Mark S.; Liu, R. B.

2014-01-01

In a semiconductor illuminated by a strong terahertz (THz) field, optically excited electron–hole pairs can recombine to emit light in a broad frequency comb evenly spaced by twice the THz frequency. Such high-order THz sideband generation is of interest both as an example of extreme nonlinear optics and also as a method for ultrafast electro-optical modulation. So far, this phenomenon has only been observed with large field strengths (~10 kV cm−1), an obstacle for technological applications. Here we predict that bi-layer graphene generates high-order sidebands at much weaker THz fields. We find that a THz field of strength 1 kV cm−1 can produce a high-sideband spectrum of about 30 THz, 100 times broader than in GaAs. The sidebands are generated despite the absence of classical collisions, with the quantum coherence of the electron–hole pairs enabling recombination. These remarkable features lower the barrier to desktop electro-optical modulation at THz frequencies, facilitating ultrafast optical communications. PMID:25249245

Simultaneous multislice magnetic resonance fingerprinting (SMS-MRF) with direct-spiral slice-GRAPPA (ds-SG) reconstruction.

PubMed

Ye, Huihui; Cauley, Stephen F; Gagoski, Borjan; Bilgic, Berkin; Ma, Dan; Jiang, Yun; Du, Yiping P; Griswold, Mark A; Wald, Lawrence L; Setsompop, Kawin

2017-05-01

To develop a reconstruction method to improve SMS-MRF, in which slice acceleration is used in conjunction with highly undersampled in-plane acceleration to speed up MRF acquisition. In this work two methods are employed to efficiently perform the simultaneous multislice magnetic resonance fingerprinting (SMS-MRF) data acquisition and the direct-spiral slice-GRAPPA (ds-SG) reconstruction. First, the lengthy training data acquisition is shortened by employing the through-time/through-k-space approach, in which similar k-space locations within and across spiral interleaves are grouped and are associated with a single set of kernel. Second, inversion recovery preparation (IR prepped), variable flip angle (FA), and repetition time (TR) are used for the acquisition of the training data, to increase signal variation and to improve the conditioning of the kernel fitting. The grouping of k-space locations enables a large reduction in the number of kernels required, and the IR-prepped training data with variable FA and TR provide improved ds-SG kernels and reconstruction performance. With direct-spiral slice-GRAPPA, tissue parameter maps comparable to that of conventional MRF were obtained at multiband (MB) = 3 acceleration using t-blipped SMS-MRF acquisition with 32-channel head coil at 3 Tesla (T). The proposed reconstruction scheme allows MB = 3 accelerated SMS-MRF imaging with high-quality T 1 , T 2 , and off-resonance maps, and can be used to significantly shorten MRF acquisition and aid in its adoption in neuro-scientific and clinical settings. Magn Reson Med 77:1966-1974, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Ground Testing of a 10 K Sorption Cryocooler Flight Experiment (BETSCE)

NASA Technical Reports Server (NTRS)

Bard, S.; Wu, J.; Karlmann, P.; Cowgill, P.; Mirate, C.; Rodriguez, J.

1994-01-01

The Brilliant Eyes Ten-Kelvin Sorption Cryocooler Experiment (BETSCE) is a Space Shuttle side-wall-mounted flight experiment designed to demonstrate 10 K sorption cryocooler technology in a space environment. The BETSCE objectives are to: (1) provide a thorough end-to-end characterization and space performance validation of a complete, multistage, automated, closed-cycle hydride sorption cryocooler in the 10 to 30 K temperature range, (2) acquire the quantitative microgravity database required to provide confident engineering design, scaling, and optimization, (3) advance the enabling technologies and resolve integration issues, and (4) provide hardware qualification and safety verification heritage. BETSCE ground tests were the first-ever demonstration of a complete closed-cycle 10 K sorption cryocooler. Test results exceeded functional requirements. This paper summarizes functional and environmental ground test results, planned characterization tests, important development challenges that were overcome, and valuable lessons-learned.

Fe-vacancy ordering in superconducting K 1–xFe 2–ySe 2: First-principles calculations and Monte Carlo simulations

DOE PAGES

Fang, Yong; Tai, Yuan -Yen; Deng, Junkai; ...

2015-07-20

Fe vacancies in the 33 K superconductor K 1–xFe 2–ySe 2 show ordering schemes that may be correlated with its superconducting properties. First-principles calculations and kinetic Monte Carlo simulations lead to a very simple model for vacancy ordering. Repulsive dipolar interactions between Fe vacancies show three ground states: amore » $$\\sqrt{8}\\times \\sqrt{10}$$ rhombus-ordered structure for 12.5% vacancies, a $$\\sqrt{5}\\times \\sqrt{5}$$ squared lattice for 20% vacancies, and a $$\\sqrt{5}\\times \\sqrt{5}$$ rhombus-ordered structure for 25% vacancies. Other structural states are derived from these three ground states and may contain additional disordered spatial regions. As a result, the repulsive interaction between Fe vacancies arises from enhanced Fe–Se covalent bonds, which differs from the well-known attractive interaction of Fe vacancies in body-centered cubic Fe.« less

SU-G-JeP1-15: Sliding Window Prior Data Assisted Compressed Sensing for MRI Lung Tumor Tracking

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

Yip, E; Wachowicz, K; Rathee, S

Purpose: Prior Data Assisted Compressed Sensing (PDACS) is a partial k-space acquisition and reconstruction method for mobile tumour (i.e. lung) tracking using on-line MRI in radiotherapy. PDACS partially relies on prior data acquired at the beginning of dynamic scans, and is therefore susceptible to artifacts in longer duration scan due to slow drifts in MR signal. A novel sliding window strategy is presented to mitigate this effect. Methods: MRI acceleration is simulated by retrospective removal of data from the fully sampled sets. Six lung cancer patients were scanned (clinical 3T MRI) using a balanced steady state free precession (bSSFP) sequencemore » for 3 minutes at approximately 4 frames per second, for a total of 650 dynamics. PDACS acceleration is achieved by undersampling of k-space in a single pseudo-random pattern. Reconstruction iteratively minimizes the total variations while constraining the images to satisfy both the currently acquired data and the prior data in missing k-space. Our novel sliding window technique (SW-PDACS), uses a series of distinct pseudo-random under-sampling patterns of partial k-space – with the prior data drawn from a sliding window of the most recent data available. Under-sampled data, simulating 2 – 5x acceleration are reconstructed using PDACS and SW-PDACS. Three quantitative metrics: artifact power, centroid error and Dice’s coefficient are computed for comparison. Results: Quantitively metric values from all 6 patients are averaged in 3 bins, each containing approximately one minute of dynamic data. For the first minute bin, PDACS and SW-PDACS give comparable results. Progressive decline in image quality metrics in bins 2 and 3 are observed for PDACS. No decline in image quality is observed for SW-PDACS. Conclusion: The novel approach presented (SW-PDACS) is a more robust for accelerating longer duration (>1 minute) dynamic MRI scans for tracking lung tumour motion using on-line MRI in radiotherapy. B.G. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).« less

Structural and magnetic properties of new uniaxial nanocrystalline Pr5Co19 compound

NASA Astrophysics Data System (ADS)

Bouzidi, W.; Mliki, N.; Bessais, L.

2017-11-01

Highly-coercive nanocrystalline Pr5Co19 powders have been synthesized by mechanical milling for the first time. The structural properties are studied by X-ray diffraction and refined with Rietveld method. This analysis revealed that whatever annealing temperature, samples crystallize in the rhombohedral (3R) of Ce5Co19-type structure (space group R 3 bar m). The magnetization curve as a function of temperature shows a magnetic transition state at the Curie temperature TC = 690 K. The optimum hard magnetic properties have been obtained for Pr5Co19 milled for 5 h and annealed at 1048 K for 30 min. These alloys exhibit a coercivity of 15 kOe at room temperature. This high coercivity is attributed to the high uniaxial magnetocrystalline anisotropy, nanoscale grain size, and to the homogeneous nanostructure developed by mechanical milling process and subsequent annealing.

In situ generation of a hydroxyl radical by nanoporous activated carbon derived from rice husk for environmental applications: kinetic and thermodynamic constants.

PubMed

Karthikeyan, S; Sekaran, G

2014-03-07

The objective of this investigation is to evaluate the hydroxyl radical (˙OH) generation using nanoporous activated carbon (NPAC), derived from rice husk, and dissolved oxygen in water. The in situ production of the ˙OH radical was confirmed through the DMPO spin trapping method in EPR spectroscopy and quantitative determination by a deoxyribose assay procedure. NPAC served as a heterogeneous catalyst to degrade 2-deoxy-d-ribose (a reference compound) using hydroxyl radical generated from dissolved oxygen in water at temperatures in the range 313-373 K and pH 6, with first order rate constants (k = 9.2 × 10(-2) min(-1), k = 1.2 × 10(-1) min(-1), k = 1.3 × 10(-1) min(-1) and k = 1.68 × 10(-1) min(-1)). The thermodynamic constants for the generation of hydroxyl radicals by NPAC and dissolved oxygen in water were ΔG -1.36 kJ mol(-1) at 313 K, ΔH 17.73 kJ mol(-1) and ΔS 61.01 J mol(-1) K(-1).

Fractional Diffusion Processes: Probability Distributions and Continuous Time Random Walk

NASA Astrophysics Data System (ADS)

Gorenflo, R.; Mainardi, F.

A physical-mathematical approach to anomalous diffusion may be based on generalized diffusion equations (containing derivatives of fractional order in space or/and time) and related random walk models. By the space-time fractional diffusion equation we mean an evolution equation obtained from the standard linear diffusion equation by replacing the second-order space derivative with a Riesz-Feller derivative of order alpha in (0,2] and skewness theta (\\verttheta\\vertlemin \\{alpha ,2-alpha \\}), and the first-order time derivative with a Caputo derivative of order beta in (0,1] . The fundamental solution (for the Cauchy problem) of the fractional diffusion equation can be interpreted as a probability density evolving in time of a peculiar self-similar stochastic process. We view it as a generalized diffusion process that we call fractional diffusion process, and present an integral representation of the fundamental solution. A more general approach to anomalous diffusion is however known to be provided by the master equation for a continuous time random walk (CTRW). We show how this equation reduces to our fractional diffusion equation by a properly scaled passage to the limit of compressed waiting times and jump widths. Finally, we describe a method of simulation and display (via graphics) results of a few numerical case studies.

A mapping of an ensemble of mitochondrial sequences for various organisms into 3D space based on the word composition.

PubMed

Aita, Takuyo; Nishigaki, Koichi

2012-11-01

To visualize a bird's-eye view of an ensemble of mitochondrial genome sequences for various species, we recently developed a novel method of mapping a biological sequence ensemble into Three-Dimensional (3D) vector space. First, we represented a biological sequence of a species s by a word-composition vector x(s), where its length [absolute value]x(s)[absolute value] represents the sequence length, and its unit vector x(s)/[absolute value]x(s)[absolute value] represents the relative composition of the K-tuple words through the sequence and the size of the dimension, N=4(K), is the number of all possible words with the length of K. Second, we mapped the vector x(s) to the 3D position vector y(s), based on the two following simple principles: (1) [absolute value]y(s)[absolute value]=[absolute value]x(s)[absolute value] and (2) the angle between y(s) and y(t) maximally correlates with the angle between x(s) and x(t). The mitochondrial genome sequences for 311 species, including 177 Animalia, 85 Fungi and 49 Green plants, were mapped into 3D space by using K=7. The mapping was successful because the angles between vectors before and after the mapping highly correlated with each other (correlation coefficients were 0.92-0.97). Interestingly, the Animalia kingdom is distributed along a single arc belt (just like the Milky Way on a Celestial Globe), and the Fungi and Green plant kingdoms are distributed in a similar arc belt. These two arc belts intersect at their respective middle regions and form a cross structure just like a jet aircraft fuselage and its wings. This new mapping method will allow researchers to intuitively interpret the visual information presented in the maps in a highly effective manner. Copyright © 2012 Elsevier Inc. All rights reserved.

The effects of navigator distortion and noise level on interleaved EPI DWI reconstruction: a comparison between image- and k-space-based method.

PubMed

Dai, Erpeng; Zhang, Zhe; Ma, Xiaodong; Dong, Zijing; Li, Xuesong; Xiong, Yuhui; Yuan, Chun; Guo, Hua

2018-03-23

To study the effects of 2D navigator distortion and noise level on interleaved EPI (iEPI) DWI reconstruction, using either the image- or k-space-based method. The 2D navigator acquisition was adjusted by reducing its echo spacing in the readout direction and undersampling in the phase encoding direction. A POCS-based reconstruction using image-space sampling function (IRIS) algorithm (POCSIRIS) was developed to reduce the impact of navigator distortion. POCSIRIS was then compared with the original IRIS algorithm and a SPIRiT-based k-space algorithm, under different navigator distortion and noise levels. Reducing the navigator distortion can improve the reconstruction of iEPI DWI. The proposed POCSIRIS and SPIRiT-based algorithms are more tolerable to different navigator distortion levels, compared to the original IRIS algorithm. SPIRiT may be hindered by low SNR of the navigator. Multi-shot iEPI DWI reconstruction can be improved by reducing the 2D navigator distortion. Different reconstruction methods show variable sensitivity to navigator distortion or noise levels. Furthermore, the findings can be valuable in applications such as simultaneous multi-slice accelerated iEPI DWI and multi-slab diffusion imaging. © 2018 International Society for Magnetic Resonance in Medicine.

Time-Resolved O3 Chemical Chain Reaction Kinetics Via High-Resolution IR Laser Absorption Methods

NASA Technical Reports Server (NTRS)

Kulcke, Axel; Blackmon, Brad; Chapman, William B.; Kim, In Koo; Nesbitt, David J.

1998-01-01

Excimer laser photolysis in combination with time-resolved IR laser absorption detection of OH radicals has been used to study O3/OH(v = 0)/HO2 chain reaction kinetics at 298 K, (i.e.,(k(sub 1) is OH + 03 yields H02 + 02 and (k(sub 2) is H02 + 03 yields OH + 202). From time-resolved detection of OH radicals with high-resolution near IR laser absorption methods, the chain induction kinetics have been measured at up to an order of magnitude higher ozone concentrations ([03] less than or equal to 10(exp 17) molecules/cu cm) than accessible in previous studies. This greater dynamic range permits the full evolution of the chain induction, propagation, and termination process to be temporally isolated and measured in real time. An exact solution for time-dependent OH evolution under pseudo- first-order chain reaction conditions is presented, which correctly predicts new kinetic signatures not included in previous OH + 03 kinetic analyses. Specifically, the solutions predict an initial exponential loss (chain "induction") of the OH radical to a steady-state level ([OH](sub ss)), with this fast initial decay determined by the sum of both chain rate constants, k(sub ind) = k(sub 1) + k(sub 2). By monitoring the chain induction feature, this sum of the rate constants is determined to be k(sub ind) = 8.4(8) x 10(exp -14) cu cm/molecule/s for room temperature reagents. This is significantly higher than the values currently recommended for use in atmospheric models, but in excellent agreement with previous results from Ravishankara et al.

Kernel K-Means Sampling for Nyström Approximation.

PubMed

He, Li; Zhang, Hong

2018-05-01

A fundamental problem in Nyström-based kernel matrix approximation is the sampling method by which training set is built. In this paper, we suggest to use kernel -means sampling, which is shown in our works to minimize the upper bound of a matrix approximation error. We first propose a unified kernel matrix approximation framework, which is able to describe most existing Nyström approximations under many popular kernels, including Gaussian kernel and polynomial kernel. We then show that, the matrix approximation error upper bound, in terms of the Frobenius norm, is equal to the -means error of data points in kernel space plus a constant. Thus, the -means centers of data in kernel space, or the kernel -means centers, are the optimal representative points with respect to the Frobenius norm error upper bound. Experimental results, with both Gaussian kernel and polynomial kernel, on real-world data sets and image segmentation tasks show the superiority of the proposed method over the state-of-the-art methods.

First-principles X-ray absorption dose calculation for time-dependent mass and optical density.

PubMed

Berejnov, Viatcheslav; Rubinstein, Boris; Melo, Lis G A; Hitchcock, Adam P

2018-05-01

A dose integral of time-dependent X-ray absorption under conditions of variable photon energy and changing sample mass is derived from first principles starting with the Beer-Lambert (BL) absorption model. For a given photon energy the BL dose integral D(e, t) reduces to the product of an effective time integral T(t) and a dose rate R(e). Two approximations of the time-dependent optical density, i.e. exponential A(t) = c + aexp(-bt) for first-order kinetics and hyperbolic A(t) = c + a/(b + t) for second-order kinetics, were considered for BL dose evaluation. For both models three methods of evaluating the effective time integral are considered: analytical integration, approximation by a function, and calculation of the asymptotic behaviour at large times. Data for poly(methyl methacrylate) and perfluorosulfonic acid polymers measured by scanning transmission soft X-ray microscopy were used to test the BL dose calculation. It was found that a previous method to calculate time-dependent dose underestimates the dose in mass loss situations, depending on the applied exposure time. All these methods here show that the BL dose is proportional to the exposure time D(e, t) ≃ K(e)t.

Discrete conservation properties for shallow water flows using mixed mimetic spectral elements

NASA Astrophysics Data System (ADS)

Lee, D.; Palha, A.; Gerritsma, M.

2018-03-01

A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of calculus with respect to the standard Lagrange basis functions in one dimension. These are used to construct tensor product solution spaces which satisfy the generalized Stokes theorem, as well as the annihilation of the gradient operator by the curl and the curl by the divergence. This allows for the exact conservation of first order moments (mass, vorticity), as well as higher moments (energy, potential enstrophy), subject to the truncation error of the time stepping scheme. The continuity equation is solved in the strong form, such that mass conservation holds point wise, while the momentum equation is solved in the weak form such that vorticity is globally conserved. While mass, vorticity and energy conservation hold for any quadrature rule, potential enstrophy conservation is dependent on exact spatial integration. The method possesses a weak form statement of geostrophic balance due to the compatible nature of the solution spaces and arbitrarily high order spatial error convergence.

Representations of the language recognition problem for a theorem prover

NASA Technical Reports Server (NTRS)

Minker, J.; Vanderbrug, G. J.

1972-01-01

Two representations of the language recognition problem for a theorem prover in first order logic are presented and contrasted. One of the representations is based on the familiar method of generating sentential forms of the language, and the other is based on the Cocke parsing algorithm. An augmented theorem prover is described which permits recognition of recursive languages. The state-transformation method developed by Cordell Green to construct problem solutions in resolution-based systems can be used to obtain the parse tree. In particular, the end-order traversal of the parse tree is derived in one of the representations. An inference system, termed the cycle inference system, is defined which makes it possible for the theorem prover to model the method on which the representation is based. The general applicability of the cycle inference system to state space problems is discussed. Given an unsatisfiable set S, where each clause has at most one positive literal, it is shown that there exists an input proof. The clauses for the two representations satisfy these conditions, as do many state space problems.

A novel heterogeneous training sample selection method on space-time adaptive processing

NASA Astrophysics Data System (ADS)

Wang, Qiang; Zhang, Yongshun; Guo, Yiduo

2018-04-01

The performance of ground target detection about space-time adaptive processing (STAP) decreases when non-homogeneity of clutter power is caused because of training samples contaminated by target-like signals. In order to solve this problem, a novel nonhomogeneous training sample selection method based on sample similarity is proposed, which converts the training sample selection into a convex optimization problem. Firstly, the existing deficiencies on the sample selection using generalized inner product (GIP) are analyzed. Secondly, the similarities of different training samples are obtained by calculating mean-hausdorff distance so as to reject the contaminated training samples. Thirdly, cell under test (CUT) and the residual training samples are projected into the orthogonal subspace of the target in the CUT, and mean-hausdorff distances between the projected CUT and training samples are calculated. Fourthly, the distances are sorted in order of value and the training samples which have the bigger value are selective preference to realize the reduced-dimension. Finally, simulation results with Mountain-Top data verify the effectiveness of the proposed method.

Magnetic ordering in TmGa.

PubMed

Cadogan, J M; Stewart, G A; Muñoz Pérez, S; Cobas, R; Hansen, B R; Avdeev, M; Hutchison, W D

2014-03-19

We have determined the magnetic structure of the intermetallic compound TmGa by high-resolution neutron powder diffraction and (169)Tm Mössbauer spectroscopy. This compound crystallizes in the orthorhombic (Cmcm) CrB-type structure and its magnetic structure is characterized by magnetic order of the Tm sublattice along the a-axis. The initial magnetic ordering occurs at 15(1) K and yields an incommensurate antiferromagnetic structure described by the propagation vector k1 = [0 0.275(2) 0]. At 12 K the dominant ferromagnetic ordering of the Tm sublattice along the a-axis develops in what appears to be a first-order transition. At 3 K the magnetic structure of TmGa is predominantly ferromagnetic but a weakened incommensurate component remains. The ferromagnetic Tm moment reaches 6.7(2) μB at 3 K and the amplitude of the remaining incommensurate component is 2.7(4) μB. The (169)Tm hyperfine magnetic field at 5 K is 631(1) T.

Coexistence of spin crossover and magnetic ordering in a dendrimeric Fe(III) complex

NASA Astrophysics Data System (ADS)

Vorobeva, V. E.; Domracheva, N. E.; Pyataev, A. V.; Gruzdev, M. S.; Chervonova, U. V.

2015-01-01

The magnetic properties of a new dendrimeric spin crossover Fe(III) complex, [Fe(L)2]+PF6-, where L = 3,5-di[3,4,5-tris(tetradecyloxy) benzoyloxy]benzoyl-4-salicylidene-N-ethyl-N-ethylene-diamine, are reported for the first time. EPR studies show that this compound undergoes a gradual spin transition in the temperature range 70-300 K and has antiferromagnetic ordering below 10 K. Mössbauer spectroscopy at 5 K confirms the presence of magnetic ordering in the dendrimeric iron complex.

30-kW class Arcjet Advanced Technology Transition Demonstration (ATTD) flight experiment diagnostic package

NASA Astrophysics Data System (ADS)

Kriebel, M. M.; Stevens, N. J.

1992-07-01

TRW, Rocket Research Co and Defense Systems Inc are developing a space qualified 30-kW class arcjet flight unit as a part of the Arcjet ATTD program. During space operation the package will measure plume deposition and contamination, electromagnetic interference, thermal radiation, arcjet thruster performance, and plume heating in order to quantify arcjet operational interactions. The Electric Propulsion Space Experiment (ESEX) diagnostic package is described. The goals of ESEX are the demonstration of a high powered arcjet performance and the measurement of potential arcjet-spacecraft interactions which cannot be determined in ground facilities. Arcjet performance, plume characterization, thermal radiation flux and the electromagnetic interference (EMI) experiment as well as experiment operations with a preliminary operations plan are presented.

Magnetocaloric behavior in ternary europium indides EuT 5In: Probing the design capability of first-principles-based methods on the multifaceted magnetic materials

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

Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr

The most favorable structures and the types of magnetic ordering predicted from first-principles-based methods in a family of closely related transition-metal-rich indides EuT 5In (T = Cu, Ag, Au) are gauged against relevant experiments. The EuT5In compounds adopt a different structure for each different coinage metal—EuCu 5In ( hR42; Rmore » $$\\overline{3}$$m, a = 5.0933(7), c = 30.557(6) Å), EuAg 5In ( oP28; Pnma, a = 9.121(2), b = 5.645(1), c = 11.437(3) Å), and EuAu 5In ( tI14; I4/ mmm, a = 7.1740(3), c = 5.4425(3) Å)—and crystallize with the Sr 5Al 9, CeCu 6, and YbMo 2Al 4 structure types, respectively. EuCu 5In and EuAg 5In order antiferromagnetically at T N = 12 and 6 K, respectively, whereas EuAu 5In is ferromagnetic below T C = 13 K. EuCu 5In exhibits complex magnetism: after the initial drop at T N, the magnetization rises again below 8 K, and a weak metamagnetic-like transition occurs at 2 K in μ 0H = 1.8 T. The electronic heat capacity of EuCu 5In, γ = ~400 mJ/(mol K 2), points to strong electronic correlations. Spin-polarized densities of states suggest that the magnetic interactions in the three materials studied are supported via mixing 4 f and 5 d states of Eu. As a result, a chemical bonding analysis based on the Crystal Orbital Hamilton populations reveals the tendency to maximize overall bonding as a driving force to adopt a particular type of crystal structure.« less

Magnetocaloric behavior in ternary europium indides EuT 5In: Probing the design capability of first-principles-based methods on the multifaceted magnetic materials

DOE PAGES

Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; ...

2017-01-27

The most favorable structures and the types of magnetic ordering predicted from first-principles-based methods in a family of closely related transition-metal-rich indides EuT 5In (T = Cu, Ag, Au) are gauged against relevant experiments. The EuT5In compounds adopt a different structure for each different coinage metal—EuCu 5In ( hR42; Rmore » $$\\overline{3}$$m, a = 5.0933(7), c = 30.557(6) Å), EuAg 5In ( oP28; Pnma, a = 9.121(2), b = 5.645(1), c = 11.437(3) Å), and EuAu 5In ( tI14; I4/ mmm, a = 7.1740(3), c = 5.4425(3) Å)—and crystallize with the Sr 5Al 9, CeCu 6, and YbMo 2Al 4 structure types, respectively. EuCu 5In and EuAg 5In order antiferromagnetically at T N = 12 and 6 K, respectively, whereas EuAu 5In is ferromagnetic below T C = 13 K. EuCu 5In exhibits complex magnetism: after the initial drop at T N, the magnetization rises again below 8 K, and a weak metamagnetic-like transition occurs at 2 K in μ 0H = 1.8 T. The electronic heat capacity of EuCu 5In, γ = ~400 mJ/(mol K 2), points to strong electronic correlations. Spin-polarized densities of states suggest that the magnetic interactions in the three materials studied are supported via mixing 4 f and 5 d states of Eu. As a result, a chemical bonding analysis based on the Crystal Orbital Hamilton populations reveals the tendency to maximize overall bonding as a driving force to adopt a particular type of crystal structure.« less

Tensor-product preconditioners for higher-order space-time discontinuous Galerkin methods

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2017-02-01

A space-time discontinuous-Galerkin spectral-element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is developed in order to overcome the stiffness associated with high solution order. The use of tensor-product basis functions is key to maintaining efficiency at high-order. Efficient preconditioning methods are presented which can take advantage of the tensor-product formulation. A diagonalized Alternating-Direction-Implicit (ADI) scheme is extended to the space-time discontinuous Galerkin discretization. A new preconditioner for the compressible Euler/Navier-Stokes equations based on the fast-diagonalization method is also presented. Numerical results demonstrate the effectiveness of these preconditioners for the direct numerical simulation of subsonic turbulent flows.

Tensor-Product Preconditioners for Higher-Order Space-Time Discontinuous Galerkin Methods

NASA Technical Reports Server (NTRS)

Diosady, Laslo T.; Murman, Scott M.

2016-01-01

space-time discontinuous-Galerkin spectral-element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equat ions. An efficient solution technique based on a matrix-free Newton-Krylov method is developed in order to overcome the stiffness associated with high solution order. The use of tensor-product basis functions is key to maintaining efficiency at high order. Efficient preconditioning methods are presented which can take advantage of the tensor-product formulation. A diagonalized Alternating-Direction-Implicit (ADI) scheme is extended to the space-time discontinuous Galerkin discretization. A new preconditioner for the compressible Euler/Navier-Stokes equations based on the fast-diagonalization method is also presented. Numerical results demonstrate the effectiveness of these preconditioners for the direct numerical simulation of subsonic turbulent flows.

Fourth order difference methods for hyperbolic IBVP's

NASA Technical Reports Server (NTRS)

Gustafsson, Bertil; Olsson, Pelle

1994-01-01

Fourth order difference approximations of initial-boundary value problems for hyperbolic partial differential equations are considered. We use the method of lines approach with both explicit and compact implicit difference operators in space. The explicit operator satisfies an energy estimate leading to strict stability. For the implicit operator we develop boundary conditions and give a complete proof of strong stability using the Laplace transform technique. We also present numerical experiments for the linear advection equation and Burgers' equation with discontinuities in the solution or in its derivative. The first equation is used for modeling contact discontinuities in fluid dynamics, the second one for modeling shocks and rarefaction waves. The time discretization is done with a third order Runge-Kutta TVD method. For solutions with discontinuities in the solution itself we add a filter based on second order viscosity. In case of the non-linear Burger's equation we use a flux splitting technique that results in an energy estimate for certain different approximations, in which case also an entropy condition is fulfilled. In particular we shall demonstrate that the unsplit conservative form produces a non-physical shock instead of the physically correct rarefaction wave. In the numerical experiments we compare our fourth order methods with a standard second order one and with a third order TVD-method. The results show that the fourth order methods are the only ones that give good results for all the considered test problems.

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.

Technical Note: On the possibly missing mechanism of 15 μm emission in the mesosphere-lower thermosphere (MLT)

NASA Astrophysics Data System (ADS)

Sharma, R. D.

2015-02-01

Accurate knowledge of the rate as well as the mechanism of excitation of the bending mode of CO2 is necessary for reliable modeling of the mesosphere-lower thermosphere (MLT) region of the atmosphere. Assuming the excitation mechanism to be thermal collisions with atomic oxygen, the rate coefficient derived from the observed 15 μm emission by space-based experiments (kATM = 6.0 × 10-12 cm3s-1) differs from the laboratory measurements (kLAB =(1.5-2.5) × 10-12 cm3s-1) by a factor of 2-4. The general circulation models (GCMs) of Earth, Venus, and Mars have chosen to use a median value of kGCM = 3.0 × 10-12 cm3s-1 for this rate coefficient. As a first step to resolve the discrepancies between the three rate coefficients, we attempt to find the source of disagreement between the first two. It is pointed out that a large magnitude of the difference between these two rate coefficients (kx ≡ kATM - kLAB) requires that the unknown mechanism involve one or both major species: N2, O. Because of the rapidly decreasing volume mixing ratio (VMR) of CO2 with altitude, the exciting partner must be long lived and transfer energy efficiently. It is shown that thermal collisions with N2, mediated by a near-resonant rotation-to-vibration (RV) energy transfer process, while giving a reasonable rate coefficient kVR for de-excitation of the bending mode of CO2, lead to vibration-to-translation kVT rate coefficients in the terrestrial atmosphere that are 1-2 orders of magnitude larger than those observed in the laboratory. It is pointed out that the efficient near-resonant rotation-to-vibration (RV) energy transfer process has a chance of being the unknown mechanism if very high rotational levels of N2, produced by the reaction of N and NO and other collisional processes, have a super-thermal population and are long lived. Since atomic oxygen plays a critical role in the mechanisms discussed here, it suggested that its density be determined experimentally by ground- and space-based Raman lidars proposed earlier.

Numerical integration and optimization of motions for multibody dynamic systems

NASA Astrophysics Data System (ADS)

Aguilar Mayans, Joan

This thesis considers the optimization and simulation of motions involving rigid body systems. It does so in three distinct parts, with the following topics: optimization and analysis of human high-diving motions, efficient numerical integration of rigid body dynamics with contacts, and motion optimization of a two-link robot arm using Finite-Time Lyapunov Analysis. The first part introduces the concept of eigenpostures, which we use to simulate and analyze human high-diving motions. Eigenpostures are used in two different ways: first, to reduce the complexity of the optimal control problem that we solve to obtain such motions, and second, to generate an eigenposture space to which we map existing real world motions to better analyze them. The benefits of using eigenpostures are showcased through different examples. The second part reviews an extensive list of integration algorithms used for the integration of rigid body dynamics. We analyze the accuracy and stability of the different integrators in the three-dimensional space and the rotation space SO(3). Integrators with an accuracy higher than first order perform more efficiently than integrators with first order accuracy, even in the presence of contacts. The third part uses Finite-time Lyapunov Analysis to optimize motions for a two-link robot arm. Finite-Time Lyapunov Analysis diagnoses the presence of time-scale separation in the dynamics of the optimized motion and provides the information and methodology for obtaining an accurate approximation to the optimal solution, avoiding the complications that timescale separation causes for alternative solution methods.

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.

OFFICIAL PORTRAIT - STS-9 CREW

NASA Image and Video Library

1983-06-29

S83-35017 (June 1983) --- These six men represent the first crewmembers to man the Columbia when it gets reactivated later this year. The four NASA astronauts are joined by a European and MIT scientist payload specialist and the Spacelab module and experiment array for STS-9. On the front row are Astronauts Owen K. Garriott, mission specialist; Brewster H. Shaw, Jr., pilot; John W. Young, commander; and Robert A. R. Parker, mission specialist. Byron K. Lichtenberg of the Massachusetts of Technology, left and Ulf Merbold of the Republic of West Germany and the European Space Agency stand in front of an orbital scene featuring the Columbia. Columbia was used for the first five Space Transportation System missions in 1981 and 1982.

Chaos and crises in a model for cooperative hunting: a symbolic dynamics approach.

PubMed

Duarte, Jorge; Januário, Cristina; Martins, Nuno; Sardanyés, Josep

2009-12-01

In this work we investigate the population dynamics of cooperative hunting extending the McCann and Yodzis model for a three-species food chain system with a predator, a prey, and a resource species. The new model considers that a given fraction sigma of predators cooperates in prey's hunting, while the rest of the population 1-sigma hunts without cooperation. We use the theory of symbolic dynamics to study the topological entropy and the parameter space ordering of the kneading sequences associated with one-dimensional maps that reproduce significant aspects of the dynamics of the species under several degrees of cooperative hunting. Our model also allows us to investigate the so-called deterministic extinction via chaotic crisis and transient chaos in the framework of cooperative hunting. The symbolic sequences allow us to identify a critical boundary in the parameter spaces (K,C(0)) and (K,sigma) which separates two scenarios: (i) all-species coexistence and (ii) predator's extinction via chaotic crisis. We show that the crisis value of the carrying capacity K(c) decreases at increasing sigma, indicating that predator's populations with high degree of cooperative hunting are more sensitive to the chaotic crises. We also show that the control method of Dhamala and Lai [Phys. Rev. E 59, 1646 (1999)] can sustain the chaotic behavior after the crisis for systems with cooperative hunting. We finally analyze and quantify the inner structure of the target regions obtained with this control method for wider parameter values beyond the crisis, showing a power law dependence of the extinction transients on such critical parameters.

Nonlinear dimensionality reduction of electroencephalogram (EEG) for Brain Computer interfaces.

PubMed

Teli, Mohammad Nayeem; Anderson, Charles

2009-01-01

Patterns in electroencephalogram (EEG) signals are analyzed for a Brain Computer Interface (BCI). An important aspect of this analysis is the work on transformations of high dimensional EEG data to low dimensional spaces in which we can classify the data according to mental tasks being performed. In this research we investigate how a Neural Network (NN) in an auto-encoder with bottleneck configuration can find such a transformation. We implemented two approximate second-order methods to optimize the weights of these networks, because the more common first-order methods are very slow to converge for networks like these with more than three layers of computational units. The resulting non-linear projections of time embedded EEG signals show interesting separations that are related to tasks. The bottleneck networks do indeed discover nonlinear transformations to low-dimensional spaces that capture much of the information present in EEG signals. However, the resulting low-dimensional representations do not improve classification rates beyond what is possible using Quadratic Discriminant Analysis (QDA) on the original time-lagged EEG.

Soft Expansion of Double-Real-Virtual Corrections to Higgs Production at N$^3$LO

DOE PAGES

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko; ...

2015-05-15

We present methods to compute higher orders in the threshold expansion for the one-loop production of a Higgs boson in association with two partons at hadron colliders. This process contributes to the N 3LO Higgs production cross section beyond the soft-virtual approximation. We use reverse unitarity to expand the phase-space integrals in the small kinematic parameters and to reduce the coefficients of the expansion to a small set of master integrals. We describe two methods for the calculation of the master integrals. The first was introduced for the calculation of the soft triple-real radiation relevant to N 3LO Higgs production.more » The second uses a particular factorization of the three body phase-space measure and the knowledge of the scaling properties of the integral itself. Our result is presented as a Laurent expansion in the dimensional regulator, although some of the master integrals are computed to all orders in this parameter.« less

Simultaneous estimation of multiple phases in digital holographic interferometry using state space analysis

NASA Astrophysics Data System (ADS)

Kulkarni, Rishikesh; Rastogi, Pramod

2018-05-01

A new approach is proposed for the multiple phase estimation from a multicomponent exponential phase signal recorded in multi-beam digital holographic interferometry. It is capable of providing multidimensional measurements in a simultaneous manner from a single recording of the exponential phase signal encoding multiple phases. Each phase within a small window around each pixel is appproximated with a first order polynomial function of spatial coordinates. The problem of accurate estimation of polynomial coefficients, and in turn the unwrapped phases, is formulated as a state space analysis wherein the coefficients and signal amplitudes are set as the elements of a state vector. The state estimation is performed using the extended Kalman filter. An amplitude discrimination criterion is utilized in order to unambiguously estimate the coefficients associated with the individual signal components. The performance of proposed method is stable over a wide range of the ratio of signal amplitudes. The pixelwise phase estimation approach of the proposed method allows it to handle the fringe patterns that may contain invalid regions.

Anomaly-specified virtual dimensionality

NASA Astrophysics Data System (ADS)

Chen, Shih-Yu; Paylor, Drew; Chang, Chein-I.

2013-09-01

Virtual dimensionality (VD) has received considerable interest where VD is used to estimate the number of spectral distinct signatures, denoted by p. Unfortunately, no specific definition is provided by VD for what a spectrally distinct signature is. As a result, various types of spectral distinct signatures determine different values of VD. There is no one value-fit-all for VD. In order to address this issue this paper presents a new concept, referred to as anomaly-specified VD (AS-VD) which determines the number of anomalies of interest present in the data. Specifically, two types of anomaly detection algorithms are of particular interest, sample covariance matrix K-based anomaly detector developed by Reed and Yu, referred to as K-RXD and sample correlation matrix R-based RXD, referred to as R-RXD. Since K-RXD is only determined by 2nd order statistics compared to R-RXD which is specified by statistics of the first two orders including sample mean as the first order statistics, the values determined by K-RXD and R-RXD will be different. Experiments are conducted in comparison with widely used eigen-based approaches.

The Wang-Landau Sampling Algorithm

NASA Astrophysics Data System (ADS)

Landau, David P.

2003-03-01

Over the past several decades Monte Carlo simulations[1] have evolved into a powerful tool for the study of wide-ranging problems in statistical/condensed matter physics. Standard methods sample the probability distribution for the states of the system, usually in the canonical ensemble, and enormous improvements have been made in performance through the implementation of novel algorithms. Nonetheless, difficulties arise near phase transitions, either due to critical slowing down near 2nd order transitions or to metastability near 1st order transitions, thus limiting the applicability of the method. We shall describe a new and different Monte Carlo approach [2] that uses a random walk in energy space to determine the density of states directly. Once the density of states is estimated, all thermodynamic properties can be calculated at all temperatures. This approach can be extended to multi-dimensional parameter spaces and has already found use in classical models of interacting particles including systems with complex energy landscapes, e.g., spin glasses, protein folding models, etc., as well as for quantum models. 1. A Guide to Monte Carlo Simulations in Statistical Physics, D. P. Landau and K. Binder (Cambridge U. Press, Cambridge, 2000). 2. Fugao Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001); Phys. Rev. E64, 056101-1 (2001).

Characterization of process-induced damage in Cu/low-k interconnect structure by microscopic infrared spectroscopy with polarized infrared light

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

Seki, Hirofumi, E-mail: Hirofumi-Seki@trc.toray.co.jp; Hashimoto, Hideki; Ozaki, Yukihiro

Microscopic Fourier-transform infrared (FT-IR) spectra are measured for a Cu/low-k interconnect structure using polarized IR light for different widths of low-k spaces and Cu lines, and for different heights of Cu lines, on Si substrates. Although the widths of the Cu line and the low-k space are 70 nm each, considerably smaller than the wavelength of the IR light, the FT-IR spectra of the low-k film were obtained for the Cu/low-k interconnect structure. A suitable method was established for measuring the process-induced damage in a low-k film that was not detected by the TEM-EELS (Transmission Electron Microscope-Electron Energy-Loss Spectroscopy) using microscopicmore » IR polarized light. Based on the IR results, it was presumed that the FT-IR spectra mainly reflect the structural changes in the sidewalls of the low-k films for Cu/low-k interconnect structures, and the mechanism of generating process-induced damage involves the generation of Si-OH groups in the low-k film when the Si-CH{sub 3} bonds break during the fabrication processes. The Si-OH groups attract moisture and the OH peak intensity increases. It was concluded that the increase in the OH groups in the low-k film is a sensitive indicator of low-k damage. We achieved the characterization of the process-induced damage that was not detected by the TEM-EELS and speculated that the proposed method is applicable to interconnects with line and space widths of 70 nm/70 nm and on shorter scales of leading edge devices. The location of process-induced damage and its mechanism for the Cu/low-k interconnect structure were revealed via the measurement method.« less