Variable metric conjugate gradient methods
Barth, T.; Manteuffel, T.
1994-07-01
1.1 Motivation. In this paper we present a framework that includes many well known iterative methods for the solution of nonsymmetric linear systems of equations, Ax = b. Section 2 begins with a brief review of the conjugate gradient method. Next, we describe a broader class of methods, known as projection methods, to which the conjugate gradient (CG) method and most conjugate gradient-like methods belong. The concept of a method having either a fixed or a variable metric is introduced. Methods that have a metric are referred to as either fixed or variable metric methods. Some relationships between projection methods and fixed (variable) metric methods are discussed. The main emphasis of the remainder of this paper is on variable metric methods. In Section 3 we show how the biconjugate gradient (BCG), and the quasi-minimal residual (QMR) methods fit into this framework as variable metric methods. By modifying the underlying Lanczos biorthogonalization process used in the implementation of BCG and QMR, we obtain other variable metric methods. These, we refer to as generalizations of BCG and QMR.
Approximate error conjugation gradient minimization methods
Kallman, Jeffrey S
2013-05-21
In one embodiment, a method includes selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, calculating an approximate error using the subset of rays, and calculating a minimum in a conjugate gradient direction based on the approximate error. In another embodiment, a system includes a processor for executing logic, logic for selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, logic for calculating an approximate error using the subset of rays, and logic for calculating a minimum in a conjugate gradient direction based on the approximate error. In other embodiments, computer program products, methods, and systems are described capable of using approximate error in constrained conjugate gradient minimization problems.
Visualization of 3-D tensor fields
NASA Technical Reports Server (NTRS)
Hesselink, L.
1996-01-01
Second-order tensor fields have applications in many different areas of physics, such as general relativity and fluid mechanics. The wealth of multivariate information in tensor fields makes them more complex and abstract than scalar and vector fields. Visualization is a good technique for scientists to gain new insights from them. Visualizing a 3-D continuous tensor field is equivalent to simultaneously visualizing its three eigenvector fields. In the past, research has been conducted in the area of two-dimensional tensor fields. It was shown that degenerate points, defined as points where eigenvalues are equal to each other, are the basic singularities underlying the topology of tensor fields. Moreover, it was shown that eigenvectors never cross each other except at degenerate points. Since we live in a three-dimensional world, it is important for us to understand the underlying physics of this world. In this report, we describe a new method for locating degenerate points along with the conditions for classifying them in three-dimensional space. Finally, we discuss some topological features of three-dimensional tensor fields, and interpret topological patterns in terms of physical properties.
A new nonlinear conjugate gradient method
NASA Astrophysics Data System (ADS)
Abdelrahman, Awad; Mamat, Mustafa; Mohd, Ismail bin; Rivaie, Mohd; Omer, Osman
2015-02-01
Conjugate gradient (CG) methods are essential for solving large-scale unconstrained optimization problems. Many of studies and modifications have been practiced to improve this method. In this paper, a new class of conjugate gradient coefficients (βk) with a new parameter m = ‖g/k‖ ‖dk-1‖ that possess global convergence properties is presented. The global convergence and sufficient decent property result is established using inexact line searches to determine the step size of CG, denoted as ∝k. Numerical result shows that the new formula is superior and more efficient when compared to other CG coefficients.
The multigrid preconditioned conjugate gradient method
NASA Technical Reports Server (NTRS)
Tatebe, Osamu
1993-01-01
A multigrid preconditioned conjugate gradient method (MGCG method), which uses the multigrid method as a preconditioner of the PCG method, is proposed. The multigrid method has inherent high parallelism and improves convergence of long wavelength components, which is important in iterative methods. By using this method as a preconditioner of the PCG method, an efficient method with high parallelism and fast convergence is obtained. First, it is considered a necessary condition of the multigrid preconditioner in order to satisfy requirements of a preconditioner of the PCG method. Next numerical experiments show a behavior of the MGCG method and that the MGCG method is superior to both the ICCG method and the multigrid method in point of fast convergence and high parallelism. This fast convergence is understood in terms of the eigenvalue analysis of the preconditioned matrix. From this observation of the multigrid preconditioner, it is realized that the MGCG method converges in very few iterations and the multigrid preconditioner is a desirable preconditioner of the conjugate gradient method.
M-step preconditioned conjugate gradient methods
NASA Technical Reports Server (NTRS)
Adams, L.
1983-01-01
Preconditioned conjugate gradient methods for solving sparse symmetric and positive finite systems of linear equations are described. Necessary and sufficient conditions are given for when these preconditioners can be used and an analysis of their effectiveness is given. Efficient computer implementations of these methods are discussed and results on the CYBER 203 and the Finite Element Machine under construction at NASA Langley Research Center are included.
3D tensor-based blind multispectral image decomposition for tumor demarcation
NASA Astrophysics Data System (ADS)
Kopriva, Ivica; Peršin, Antun
2010-03-01
Blind decomposition of multi-spectral fluorescent image for tumor demarcation is formulated exploiting tensorial structure of the image. First contribution of the paper is identification of the matrix of spectral responses and 3D tensor of spatial distributions of the materials present in the image from Tucker3 or PARAFAC models of 3D image tensor. Second contribution of the paper is clustering based estimation of the number of the materials present in the image as well as matrix of their spectral profiles. 3D tensor of the spatial distributions of the materials is recovered through 3-mode multiplication of the multi-spectral image tensor and inverse of the matrix of spectral profiles. Tensor representation of the multi-spectral image preserves its local spatial structure that is lost, due to vectorization process, when matrix factorization-based decomposition methods (such as non-negative matrix factorization and independent component analysis) are used. Superior performance of the tensor-based image decomposition over matrix factorization-based decompositions is demonstrated on experimental red-green-blue (RGB) image with known ground truth as well as on RGB fluorescent images of the skin tumor (basal cell carcinoma).
NASA Astrophysics Data System (ADS)
Frisch, Michael J.; Head-Gordon, Martin; Pople, John A.
1990-02-01
We present a direct method for evaluating the gradient of the second-order Møller-Plesset (MP2) energy without storing any quartic quantities, such as two-electron repulsion integrals (ERIs), double substitution amplitudes or the two-particle density matrix. For an N-basis-function calculation, N3 memory is required, and the ERIs and their first derivatives are computed up to O (number of occupied orbitals) times, plus additional ERI evaluations to obtain the Hartree-Fock (HF) orbitals and solve the coupled perturbed HF equation. Larger amounts of memory are used to reduce the O evaluations in the MP2 step. The floating point operation count is still proportional to ON4, as in conventional MP2 gradient codes since ERI evaluation is just an N4 step. Illustrative calculations are reported to assess the performance of the algorithm.
Polynomial preconditioning for conjugate gradient methods
Ashby, S.F.
1987-12-01
The solution of a linear system of equations, Ax = b, arises in many scientific applications. If A is large and sparse, an iterative method is required. When A is hermitian positive definite (hpd), the conjugate gradient method of Hestenes and Stiefel is popular. When A is hermitian indefinite (hid), the conjugate residual method may be used. If A is ill-conditioned, these methods may converge slowly, in which case a preconditioner is needed. In this thesis we examine the use of polynomial preconditioning in CG methods for both hermitian positive definite and indefinite matrices. Such preconditioners are easy to employ and well-suited to vector and/or parallel architectures. We first show that any CG method is characterized by three matrices: an hpd inner product matrix B, a preconditioning matrix C, and the hermitian matrix A. The resulting method, CG(B,C,A), minimizes the B-norm of the error over a Krylov subspace. We next exploit the versatility of polynomial preconditioners to design several new CG methods. To obtain an optimum preconditioner, we solve a constrained minimax approximation problem. The preconditioning polynomial, C(lambda), is optimum in that it minimizes a bound on the condition number of the preconditioned matrix, p/sub m/(A). An adaptive procedure for dynamically determining the optimum preconditioner is also discussed. Finally, in a variety of numerical experiments, conducted on a Cray X-MP/48, we demonstrate the effectiveness of polynomial preconditioning. 66 ref., 19 figs., 39 tabs.
A method for easily customizable gradient gel electrophoresis.
Miller, Andrew J; Roman, Brandon; Norstrom, Eric
2016-09-15
Gradient polyacrylamide gel electrophoresis is a powerful tool for the resolution of polypeptides by relative mobility. Here, we present a simplified method for generating polyacrylamide gradient gels for routine analysis without the need for specialized mixing equipment. The method allows for easily customizable gradients which can be optimized for specific polypeptide resolution requirements. Moreover, the method eliminates the possibility of buffer cross contamination in mixing equipment, and the time and resources saved with this method in place of traditional gradient mixing, or the purchase of pre-cast gels, are noteworthy given the frequency with which many labs use gradient gel SDS-PAGE. PMID:27393767
Comparison of genetic algorithms with conjugate gradient methods
NASA Technical Reports Server (NTRS)
Bosworth, J. L.; Foo, N. Y.; Zeigler, B. P.
1972-01-01
Genetic algorithms for mathematical function optimization are modeled on search strategies employed in natural adaptation. Comparisons of genetic algorithms with conjugate gradient methods, which were made on an IBM 1800 digital computer, show that genetic algorithms display superior performance over gradient methods for functions which are poorly behaved mathematically, for multimodal functions, and for functions obscured by additive random noise. Genetic methods offer performance comparable to gradient methods for many of the standard functions.
Multi-gradient drilling method and system
Maurer, William C.; Medley, Jr., George H.; McDonald, William J.
2003-01-01
A multi-gradient system for drilling a well bore from a surface location into a seabed includes an injector for injecting buoyant substantially incompressible articles into a column of drilling fluid associated with the well bore. Preferably, the substantially incompressible articles comprises hollow substantially spherical bodies.
Gradient porous hydroxyapatite ceramics fabricated by freeze casting method
NASA Astrophysics Data System (ADS)
Zuo, Kai-hui; zhang, Yuan; Jiang, Dongliang; Zeng, Yu-Ping
2011-04-01
By controlling the cooling rates and the composition of slurries, the gradient porous hydroxyapatite ceramics are fabricated by the freeze casting method. According to the different cooling rate, the pores of HAP ceramics fabricated by gradient freeze casting are divided into three parts: one is lamellar pores, another is column pore and the last one is fine round pores. The laminated freeze casting is in favour of obtaining the gradient porous ceramics composed of different materials and the ceramics have unclear interfaces.
3D tensor factorization approach to single-frame model-free blind-image deconvolution.
Kopriva, Ivica
2009-09-15
By applying a bank of 2D Gabor filters to a blurred image, single-frame blind-image deconvolution (SF BID) is formulated as a 3D tensor factorization (TF) problem, with the key contribution that neither origin nor size of the spatially invariant blurring kernel is required to be known or estimated. Mixing matrix, the original image, and its spatial derivatives are identified from the factors in the Tucker3 model of the multichannel version of the blurred image. Previous approaches to 2D Gabor-filter-bank-based SF BID relied on 2D representation of the multichannel version of the blurred image and matrix factorization methods such as nonnegative matrix factorization (NMF) and independent component analysis (ICA). Unlike matrix factorization-based methods 3D TF preserves local structure in the image. Moreover, 3D TF based on the PARAFAC model is unique up to permutation and scales under very mild conditions. To achieve this, NMF and ICA respectively require enforcement of sparseness and statistical independence constraints on the original image and its spatial derivatives. These constraints are generally not satisfied. The 3D TF-based SF BID method is demonstrated on an experimental defocused red-green-blue image. PMID:19756121
A taxonomy for conjugate gradient methods
Ashby, S.F.; Manteuffel, T.A.; Saylor, P.E.
1988-03-01
The conjugate method of Hestenes and Stiefel is an effective method to solve large, sparse hermitian positive definite (hpd) systems of linear equations, Ax = b. Generalizations to non-hpd matrices have long been sought. The recent theory of Faber and Manteuffle gives necessary and sufficient conditions for the existence of CG method. This paper uses these conditions to develop and organize such methods. We show that any CG method for Ax = b is characterized by and hpd inner product matrix B and a left preconditioning matrix C. At each step the method minimizes the B-norm of the error over a Krylov space. This characterization is then used to classify known and new methods. Finally, it is shown how eigenvalue estimates may be obtained from the iteration parameters, generalizing the well known connection between CG and Lanczos. Such estimates allow implementation of a stopping criterion based more nearly on the true error. 29 refs., 4 tabs.
Adaptive method of realizing natural gradient learning for multilayer perceptrons.
Amari, S; Park, H; Fukumizu, K
2000-06-01
The natural gradient learning method is known to have ideal performances for on-line training of multilayer perceptrons. It avoids plateaus, which give rise to slow convergence of the backpropagation method. It is Fisher efficient, whereas the conventional method is not. However, for implementing the method, it is necessary to calculate the Fisher information matrix and its inverse, which is practically very difficult. This article proposes an adaptive method of directly obtaining the inverse of the Fisher information matrix. It generalizes the adaptive Gauss-Newton algorithms and provides a solid theoretical justification of them. Simulations show that the proposed adaptive method works very well for realizing natural gradient learning. PMID:10935719
Variable methods to estimate the ionospheric horizontal gradient
NASA Astrophysics Data System (ADS)
Nagarajoo, Karthigesu
2016-06-01
DGPS or differential Global Positioning System is a system where the range error at a reference station (after eliminating the error due to its’ clock, hardware delay and multipath) will be eliminated from the range measurement at the user, which view the same satellite, presuming that the satellites path to both the reference station and the user experience common errors due to the ionosphere, clock errors etc. In this assumption, the error due to the ionospheric refraction is assumed to be the same for the two closely spaced paths (such as a baseline length between reference station and the user of 10km as used in simulations throughout this paper, unless otherwise stated) and thus the presence of ionospheric horizontal gradient is ignored. If a user's path is exposed to a drastically large ionosphere gradient, the large difference of ionosphere delays between the reference station and the user can result in significant position error for the user. Several examples of extremely large ionosphere gradients that could cause the significant user errors have been observed. The ionospheric horizontal gradient could be obtained instead from the gradient of the Total Electron Content, TEC observed from a number of received GPS satellites at one or more reference stations or based on empirical models updated with real time data. To investigate the former, in this work, the dual frequency method has been used to obtain both South-North and East-West gradients by using four different receiving stations separated in those directions. In addition, observation data from Navy Ionospheric Monitoring System (NIMS) receivers and the TEC contour map from Rutherford Appleton Laboratory (RAL) UK have also been used in order to define the magnitude and direction of the gradient.
A new simple method to estimate fracture pressure gradient
Rocha, L.A.; Bourgoyne, A.T.
1994-12-31
Projecting safer and more economic wells calls for estimating correctly the fracture pressure gradient. On the other hand, a poor prediction of the fracture pressure gradient may lead to serious accidents such as lost circulation followed by a kick. Although these kinds of accidents can occur in any phase of the well, drilling shallow formations can offer additional dangerous due to shallow gas kicks, because they have the potential of becoming a shallow gas blowout leading sometimes to the formation of craters. Often, one of the main problems when estimating the fracture pressure gradient is the lack of data. In fact, drilling engineers generally face situations where only leak off test data (frequently having questionable results) are available. This problem is normally the case when drilling shallow formations where very few information is collected. This paper presents a new method to estimate fracture pressure gradient. The proposed method has the advantage of (a) using only the knowledge of leak off test data and (b) being independent of the pore pressure. The method is based on a new concept called pseudo-overburden pressure, defined as the overburden pressure a formation would exhibit if it were plastic. The method was applied in several areas of the world such as US Gulf Coast (Mississippi Canyon and Green Canyon) with very good results.
Discontinuous Galerkin finite element methods for gradient plasticity.
Garikipati, Krishna.; Ostien, Jakob T.
2010-10-01
In this report we apply discontinuous Galerkin finite element methods to the equations of an incompatibility based formulation of gradient plasticity. The presentation is motivated with a brief overview of the description of dislocations within a crystal lattice. A tensor representing a measure of the incompatibility with the lattice is used in the formulation of a gradient plasticity model. This model is cast in a variational formulation, and discontinuous Galerkin machinery is employed to implement the formulation into a finite element code. Finally numerical examples of the model are shown.
Material point method enhanced by modified gradient of shape function
NASA Astrophysics Data System (ADS)
Zhang, Duan Z.; Ma, Xia; Giguere, Paul T.
2011-07-01
A numerical scheme of computing quantities involving gradients of shape functions is introduced for the material point method (MPM), so that the quantities are continuous as material points move across cell boundaries. The noise and instability caused by cell crossing of the material points are then eliminated. In this scheme, the formulas used to compute these quantities can be expressed in the same forms as in the original material point method, but with the gradient of the shape function modified. For one-dimensional cases, the gradient of the shape function used in the generalized interpolation material point (GIMP) method is a special case of the modified gradient if the characteristic function of a material point is introduced. The characteristic function of a material point is not otherwise needed in this scheme, therefore difficulties in tracking its evolution are avoided. Although the support of the modified gradient of a shape function is enlarged from the cell containing the material point to also include the immediate neighbor cells, all the non-local effects of a material point can be accounted for by two consecutive local operations. Therefore this scheme can be used in calculations with unstructured grids. This scheme is proved to satisfy mass and momentum conservations exactly. The error in energy conservation is shown to be second order on both spatial and temporal discretizations. Although the error in energy conservation is the same order as that in the original material point method, numerical examples show that this scheme has significantly better energy conservation properties than those of the original material point method.
Two modified Dai-Yuan nonlinear conjugate gradient methods
NASA Astrophysics Data System (ADS)
Zhang, Li
2009-01-01
In this paper, we propose two modified versions of the Dai-Yuan (DY) nonlinear conjugate gradient method. One is based on the MBFGS method (Li and Fukushima, J Comput Appl Math 129:15-35, 2001) and inherits all nice properties of the DY method. Moreover, this method converges globally for nonconvex functions even if the standard Armijo line search is used. The other is based on the ideas of Wei et al. (Appl Math Comput 183:1341-1350, 2006), Zhang et al. (Numer Math 104:561-572, 2006) and possesses good performance of the Hestenes-Stiefel method. Numerical results are also reported.
Tomographic fluorescence reconstruction by a spectral projected gradient pursuit method
NASA Astrophysics Data System (ADS)
Ye, Jinzuo; An, Yu; Mao, Yamin; Jiang, Shixin; Yang, Xin; Chi, Chongwei; Tian, Jie
2015-03-01
In vivo fluorescence molecular imaging (FMI) has played an increasingly important role in biomedical research of preclinical area. Fluorescence molecular tomography (FMT) further upgrades the two-dimensional FMI optical information to three-dimensional fluorescent source distribution, which can greatly facilitate applications in related studies. However, FMT presents a challenging inverse problem which is quite ill-posed and ill-conditioned. Continuous efforts to develop more practical and efficient methods for FMT reconstruction are still needed. In this paper, a method based on spectral projected gradient pursuit (SPGP) has been proposed for FMT reconstruction. The proposed method was based on the directional pursuit framework. A mathematical strategy named the nonmonotone line search was associated with the SPGP method, which guaranteed the global convergence. In addition, the Barzilai-Borwein step length was utilized to build the new step length of the SPGP method, which was able to speed up the convergence of this gradient method. To evaluate the performance of the proposed method, several heterogeneous simulation experiments including multisource cases as well as comparative analyses have been conducted. The results demonstrated that, the proposed method was able to achieve satisfactory source localizations with a bias less than 1 mm; the computational efficiency of the method was one order of magnitude faster than the contrast method; and the fluorescence reconstructed by the proposed method had a higher contrast to the background than the contrast method. All the results demonstrated the potential for practical FMT applications with the proposed method.
Application of Conjugate Gradient methods to tidal simulation
Barragy, E.; Carey, G.F.; Walters, R.A.
1993-01-01
A harmonic decomposition technique is applied to the shallow water equations to yield a complex, nonsymmetric, nonlinear, Helmholtz type problem for the sea surface and an accompanying complex, nonlinear diagonal problem for the velocities. The equation for the sea surface is linearized using successive approximation and then discretized with linear, triangular finite elements. The study focuses on applying iterative methods to solve the resulting complex linear systems. The comparative evaluation includes both standard iterative methods for the real subsystems and complex versions of the well known Bi-Conjugate Gradient and Bi-Conjugate Gradient Squared methods. Several Incomplete LU type preconditioners are discussed, and the effects of node ordering, rejection strategy, domain geometry and Coriolis parameter (affecting asymmetry) are investigated. Implementation details for the complex case are discussed. Performance studies are presented and comparisons made with a frontal solver. ?? 1993.
A new simple method to estimate fracture pressure gradient
Rocha, L.A.; Bourgoyne, A.T.
1996-09-01
Projecting safety and more economic wells calls for estimating correctly the fracture pressure gradient. On the other hand, a poor prediction of the fracture pressure gradient may lead to serious accidents, such as lost circulation followed by a kick. Although these kind of accidents can occur in any phase of the well, drilling shallow formations can offer additional dangers caused by shallow gas kicks because they have the potential of becoming a shallow gas blowout leading sometimes to the formation of craters. This paper presents a new method to estimate fracture pressure gradient. The proposed method has the advantage of (1) using only the knowledge of leakoff test data and (2) being independent of the pore pressure. The method is based on a new concept called pseudo-overburden pressure, defined as the overburden pressure a formation would exhibit if it were plastic. The method was applied in several areas of the world, such as the US Gulf Coast (Mississippi Canyon and Green Canyon), with very good results.
Gradient-based image recovery methods from incomplete Fourier measurements.
Patel, Vishal M; Maleh, Ray; Gilbert, Anna C; Chellappa, Rama
2012-01-01
A major problem in imaging applications such as magnetic resonance imaging and synthetic aperture radar is the task of trying to reconstruct an image with the smallest possible set of Fourier samples, every single one of which has a potential time and/or power cost. The theory of compressive sensing (CS) points to ways of exploiting inherent sparsity in such images in order to achieve accurate recovery using sub-Nyquist sampling schemes. Traditional CS approaches to this problem consist of solving total-variation (TV) minimization programs with Fourier measurement constraints or other variations thereof. This paper takes a different approach. Since the horizontal and vertical differences of a medical image are each more sparse or compressible than the corresponding TV image, CS methods will be more successful in recovering these differences individually. We develop an algorithm called GradientRec that uses a CS algorithm to recover the horizontal and vertical gradients and then estimates the original image from these gradients. We present two methods of solving the latter inverse problem, i.e., one based on least-square optimization and the other based on a generalized Poisson solver. After a thorough derivation of our complete algorithm, we present the results of various experiments that compare the effectiveness of the proposed method against other leading methods. PMID:21690011
New convergence results for the scaled gradient projection method
NASA Astrophysics Data System (ADS)
Bonettini, S.; Prato, M.
2015-09-01
The aim of this paper is to deepen the convergence analysis of the scaled gradient projection (SGP) method, proposed by Bonettini et al in a recent paper for constrained smooth optimization. The main feature of SGP is the presence of a variable scaling matrix multiplying the gradient, which may change at each iteration. In the last few years, extensive numerical experimentation showed that SGP equipped with a suitable choice of the scaling matrix is a very effective tool for solving large scale variational problems arising in image and signal processing. In spite of the very reliable numerical results observed, only a weak convergence theorem is provided establishing that any limit point of the sequence generated by SGP is stationary. Here, under the only assumption that the objective function is convex and that a solution exists, we prove that the sequence generated by SGP converges to a minimum point, if the scaling matrices sequence satisfies a simple and implementable condition. Moreover, assuming that the gradient of the objective function is Lipschitz continuous, we are also able to prove the {O}(1/k) convergence rate with respect to the objective function values. Finally, we present the results of a numerical experience on some relevant image restoration problems, showing that the proposed scaling matrix selection rule performs well also from the computational point of view.
Multispectral face liveness detection method based on gradient features
NASA Astrophysics Data System (ADS)
Hou, Ya-Li; Hao, Xiaoli; Wang, Yueyang; Guo, Changqing
2013-11-01
Face liveness detection aims to distinguish genuine faces from disguised faces. Most previous works under visible light focus on classification of genuine faces and planar photos or videos. To handle the three-dimensional (3-D) disguised faces, liveness detection based on multispectral images has been shown to be an effective choice. In this paper, a gradient-based multispectral method has been proposed for face liveness detection. Three feature vectors are developed to reduce the influence of varying illuminations. The reflectance-based feature achieves the best performance, which has a true positive rate of 98.3% and a true negative rate of 98.7%. The developed methods are also tested on individual bands to provide a clue for band selection in the imaging system. Preliminary results on different face orientations are also shown. The contributions of this paper are threefold. First, a gradient-based multispectral method has been proposed for liveness detection, which considers the reflectance properties of all the distinctive regions in a face. Second, three illumination-robust features are studied based on a dataset with two-dimensional planar photos, 3-D mannequins, and masks. Finally, the performance of the method on different spectral bands and face orientations is also shown in the evaluations.
Testing Method for Heat Resistance Under Temperature Gradient
NASA Astrophysics Data System (ADS)
Takagi, K.; Kawasaki, A.; Itoh, Y.; Harada, Y.; Ono, F.
2007-12-01
“Testing Method for Heat Resistance under Temperature Gradient” is a Japanese Industrial Standard (JIS) newly established by the Minister of Economy, Trade and Industry, after deliberations by the Japanese Industrial Standards Committee, in accordance with the Industrial Standardization Law. This standard specified the testing method for heat resistance under temperature gradient of materials and coated members of equipment exposed to high temperature, such as aircraft engines, gas turbines, and so on. This paper introduces the principle and overview of the established standard. In addition, taking the heat cycle test using the burner rig for instance, we specifically illustrate the acquirable data and their analysis in the standard. Monitoring of the effective thermal conductivity and acoustic emission particularly enables to the non-destructive evaluation of failure cycle.
A method to stabilize linear systems using eigenvalue gradient information
NASA Technical Reports Server (NTRS)
Wieseman, C. D.
1985-01-01
Formal optimization methods and eigenvalue gradient information are used to develop a stabilizing control law for a closed loop linear system that is initially unstable. The method was originally formulated by using direct, constrained optimization methods with the constraints being the real parts of the eigenvalues. However, because of problems in trying to achieve stabilizing control laws, the problem was reformulated to be solved differently. The method described uses the Davidon-Fletcher-Powell minimization technique to solve an indirect, constrained minimization problem in which the performance index is the Kreisselmeier-Steinhauser function of the real parts of all the eigenvalues. The method is applied successfully to solve two different problems: the determination of a fourth-order control law stabilizes a single-input single-output active flutter suppression system and the determination of a second-order control law for a multi-input multi-output lateral-directional flight control system. Various sets of design variables and initial starting points were chosen to show the robustness of the method.
New iterative gridding algorithm using conjugate gradient method
NASA Astrophysics Data System (ADS)
Jiang, Xuguang; Thedens, Daniel
2004-05-01
Non-uniformly sampled data in MRI applications must be interpolated onto a regular Cartesian grid to perform fast image reconstruction using FFT. The conventional method for this is gridding, which requires a density compensation function (DCF). The calculation of DCF may be time-consuming, ambiguously defined, and may not be always reusable due to changes in k-space trajectories. A recently proposed reconstruction method that eliminates the requirement of DCF is block uniform resampling (BURS) which uses singular value decomposition (SVD). However, the SVD is still computationally intensive. In this work, we present a modified BURS algorithm using conjugate gradient method (CGM) in place of direct SVD calculation. Calculation of a block of grid point values in each iteration further reduces the computational load. The new method reduces the calculation complexity while maintaining a high-quality reconstruction result. For an n-by-n matrix, the time complexity per iteration is reduced from O(n*n*n) in SVD to O(n*n) in CGM. The time can be further reduced when we stop the iteration in CGM earlier according to the norm of the residual vector. Using this method, the quality of the reconstructed image improves compared to regularized BURS. The reduced time complexity and improved reconstruction result make the new algorithm promising in dealing with large-sized images and 3D images.
[Spectral discrimination method information divergence combined with gradient angle].
Zhang, Xiu-bao; Yuan, Yan; Jing, Juan-juan; Sun, Cheng-ming; Wang, Qian
2011-03-01
The present paper proposes a spectral discrimination method combining spectral information divergence with spectral gradient angle (SID x tan(SGA(pi/2)) which overcomes the shortages of the existing methods which can not take the whole spectral shape and local characteristics into account simultaneously. Using the simulation spectra as input data, according to the interferogram acquirement principle and spectrum recovery algorithm of the temporally and spatially modulated Fourier transform imaging spectrometer (TSMFTIS), we simulated the distortion spectra recovery process of the TMSFTIS in different maximum mix ratio and distinguished the difference between the recovered spectra and the true spectrum by different spectral discrimination methods. The experiment results show that the SID x tan(SGA(pi/2)) can not only identify the similarity of the whole spectral shapes, but also distinguish local differences of the spectral characteristics. A comparative study was conducted among the different discrimination methods. The results have validated that the SID x tan(SGA(pi/2)) has a significant improvement in the discriminatory ability. PMID:21595255
Using nonlinear kernels in seismic tomography: go beyond gradient methods
NASA Astrophysics Data System (ADS)
Wu, R.
2013-05-01
In quasi-linear inversion, a nonlinear problem is typically solved iteratively and at each step the nonlinear problem is linearized through the use of a linear functional derivative, the Fréchet derivative. Higher order terms generally are assumed to be insignificant and neglected. The linearization approach leads to the popular gradient method of seismic inversion. However, for the real Earth, the wave equation (and the real wave propagation) is strongly nonlinear with respect to the medium parameter perturbations. Therefore, the quasi-linear inversion may have a serious convergence problem for strong perturbations. In this presentation I will compare the convergence properties of the Taylor-Fréchet series and the renormalized Fréchet series, the De Wolf approximation, and illustrate the improved convergence property with numerical examples. I'll also discuss the application of nonlinear partial derivative to least-square waveform inversion. References: Bonnans, J., Gilbert, J., Lemarechal, C. and Sagastizabal, C., 2006, Numirical optmization, Springer. Wu, R.S. and Y. Zheng, 2012. Nonlinear Fréchet derivative and its De Wolf approximation, Expanded Abstracts of Society of Exploration Gephysicists, SI 8.1.
Shang, Shang; Bai, Jing; Song, Xiaolei; Wang, Hongkai; Lau, Jaclyn
2007-01-01
Conjugate gradient method is verified to be efficient for nonlinear optimization problems of large-dimension data. In this paper, a penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography (FMT) is presented. The algorithm combines the linear conjugate gradient method and the nonlinear conjugate gradient method together based on a restart strategy, in order to take advantage of the two kinds of conjugate gradient methods and compensate for the disadvantages. A quadratic penalty method is adopted to gain a nonnegative constraint and reduce the illposedness of the problem. Simulation studies show that the presented algorithm is accurate, stable, and fast. It has a better performance than the conventional conjugate gradient-based reconstruction algorithms. It offers an effective approach to reconstruct fluorochrome information for FMT. PMID:18354740
On Meinardus' examples for the conjugate gradient method
NASA Astrophysics Data System (ADS)
Li, Ren-Cang
2008-03-01
The conjugate gradient (CG) method is widely used to solve a positive definite linear system AxDb of order N . It is well known that the relative residual of the k th approximate solution by CG (with the initial approximation x_0D0 ) is bounded above by 2left[Delta_{kappa}^k+Delta_{kappa}^{-k}right]^{-1} with quad Delta_{kappa}Dfrac {sqrt{kappa}+1}{sqrt{kappa}-1}, where kappaequivkappa(A)DVert AVert _2Vert A^{-1}Vert _2 is A 's spectral condition number. In 1963, Meinardus (Numer. Math., 5 (1963), pp. 14-23) gave an example to achieve this bound for kDN-1 but without saying anything about all other 1le k
Preconditioned Conjugate Gradient methods for low speed flow calculations
NASA Technical Reports Server (NTRS)
Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing
1993-01-01
An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations are integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and the convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the lower-upper (L-U)-successive symmetric over-relaxation iterative scheme is more efficient than a preconditioner based on incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional line Gauss-Seidel relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.
Weighted graph based ordering techniques for preconditioned conjugate gradient methods
NASA Technical Reports Server (NTRS)
Clift, Simon S.; Tang, Wei-Pai
1994-01-01
We describe the basis of a matrix ordering heuristic for improving the incomplete factorization used in preconditioned conjugate gradient techniques applied to anisotropic PDE's. Several new matrix ordering techniques, derived from well-known algorithms in combinatorial graph theory, which attempt to implement this heuristic, are described. These ordering techniques are tested against a number of matrices arising from linear anisotropic PDE's, and compared with other matrix ordering techniques. A variation of RCM is shown to generally improve the quality of incomplete factorization preconditioners.
Gradient index liquid crystal devices and method of fabrication thereof
Lee, Jae-Cheul; Jacobs, Stephen
1991-01-01
Laser beam apodizers using cholesteric liquid crystals provides soft edge profile by use of two separate cholesteric liquid crystal mixtures with different selective reflection bands which in an overlap region have a gradient index where reflectivity changes as a function of position. The apodizers can be configured as a one-dimensional beam apod INTRODUCTION The U.S. government has rights in the invention under Contract No. DE-FC03-85DP40200 between the University of Rochester and the Department of Energy.
Gradient index liquid crystal devices and method of fabrication thereof
Lee, J.C.; Jacobs, S.
1991-10-29
Laser beam apodizers using cholesteric liquid crystals provides soft edge profile by use of two separate cholesteric liquid crystal mixtures with different selective reflection bands which in an overlap region have a gradient index where reflectivity changes as a function of position. The apodizers can be configured as a one-dimensional beam apod INTRODUCTION The U.S. government has rights in the invention under Contract No. DE-FC03-85DP40200 between the University of Rochester and the Department of Energy.
Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital Method.
Brorsen, Kurt R; Zahariev, Federico; Nakata, Hiroya; Fedorov, Dmitri G; Gordon, Mark S
2014-12-01
The equations for the response terms for the fragment molecular orbital (FMO) method interfaced with the density functional theory (DFT) gradient are derived and implemented. Compared to the previous FMO-DFT gradient, which lacks response terms, the FMO-DFT analytic gradient has improved accuracy for a variety of functionals, when compared to numerical gradients. The FMO-DFT gradient agrees with the fully ab initio DFT gradient in which no fragmentation is performed, while reducing the nonlinear scaling associated with standard DFT. Solving for the response terms requires the solution of the coupled perturbed Kohn-Sham (CPKS) equations, where the CPKS equations are solved through a decoupled Z-vector procedure called the self-consistent Z-vector method. FMO-DFT is a nonvariational method and the FMO-DFT gradient is unique compared to standard DFT gradients in that the FMO-DFT gradient requires terms from both DFT and time-dependent density functional theory (TDDFT) theories. PMID:26583213
Gradient-free MCMC methods for dynamic causal modelling
Sengupta, Biswa; Friston, Karl J.; Penny, Will D.
2015-01-01
In this technical note we compare the performance of four gradient-free MCMC samplers (random walk Metropolis sampling, slice-sampling, adaptive MCMC sampling and population-based MCMC sampling with tempering) in terms of the number of independent samples they can produce per unit computational time. For the Bayesian inversion of a single-node neural mass model, both adaptive and population-based samplers are more efficient compared with random walk Metropolis sampler or slice-sampling; yet adaptive MCMC sampling is more promising in terms of compute time. Slice-sampling yields the highest number of independent samples from the target density — albeit at almost 1000% increase in computational time, in comparison to the most efficient algorithm (i.e., the adaptive MCMC sampler). PMID:25776212
Comparison between pressure gradient method and MAC method on high Re calculation
NASA Technical Reports Server (NTRS)
Tan, C.-H.; Duh, J. C.
1989-01-01
A cavity flow driven by shear and buoyancy forces is used as a test problem in the application of a nonstaggered pressure gradient (PG) method in solving the two-dimensional incompressible Navier-Stokes equations. Twelve finite differencing schemes are used to solve the cavity flow problem. The schemes consist of various combinations of grid arrangements, upwinding treatments, and conservativeness of convection terms. An artificial source term is introduced, and the solutions are compared with those obtained by the conventional marker-and-cell (MAC) method. The comparisons favor the PG method. Numerical results obtained by the twelve schemes are compared with exact solutions in order to assess the stability and accuracy of each scheme.
Blockwise conjugate gradient methods for image reconstruction in volumetric CT.
Qiu, W; Titley-Peloquin, D; Soleimani, M
2012-11-01
Cone beam computed tomography (CBCT) enables volumetric image reconstruction from 2D projection data and plays an important role in image guided radiation therapy (IGRT). Filtered back projection is still the most frequently used algorithm in applications. The algorithm discretizes the scanning process (forward projection) into a system of linear equations, which must then be solved to recover images from measured projection data. The conjugate gradients (CG) algorithm and its variants can be used to solve (possibly regularized) linear systems of equations Ax=b and linear least squares problems minx∥b-Ax∥2, especially when the matrix A is very large and sparse. Their applications can be found in a general CT context, but in tomography problems (e.g. CBCT reconstruction) they have not widely been used. Hence, CBCT reconstruction using the CG-type algorithm LSQR was implemented and studied in this paper. In CBCT reconstruction, the main computational challenge is that the matrix A usually is very large, and storing it in full requires an amount of memory well beyond the reach of commodity computers. Because of these memory capacity constraints, only a small fraction of the weighting matrix A is typically used, leading to a poor reconstruction. In this paper, to overcome this difficulty, the matrix A is partitioned and stored blockwise, and blockwise matrix-vector multiplications are implemented within LSQR. This implementation allows us to use the full weighting matrix A for CBCT reconstruction without further enhancing computer standards. Tikhonov regularization can also be implemented in this fashion, and can produce significant improvement in the reconstructed images. PMID:22325240
NASA Astrophysics Data System (ADS)
Wu, Z. Y.; Zhang, L.; Wang, X. M.; Munger, J. W.
2015-07-01
Small pollutant concentration gradients between levels above a plant canopy result in large uncertainties in estimated air-surface exchange fluxes when using existing micrometeorological gradient methods, including the aerodynamic gradient method (AGM) and the modified Bowen ratio method (MBR). A modified micrometeorological gradient method (MGM) is proposed in this study for estimating O3 dry deposition fluxes over a forest canopy using concentration gradients between a level above and a level below the canopy top, taking advantage of relatively large gradients between these levels due to significant pollutant uptake in the top layers of the canopy. The new method is compared with the AGM and MBR methods and is also evaluated using eddy-covariance (EC) flux measurements collected at the Harvard Forest Environmental Measurement Site, Massachusetts, during 1993-2000. All three gradient methods (AGM, MBR, and MGM) produced similar diurnal cycles of O3 dry deposition velocity (Vd(O3)) to the EC measurements, with the MGM method being the closest in magnitude to the EC measurements. The multi-year average Vd(O3) differed significantly between these methods, with the AGM, MBR, and MGM method being 2.28, 1.45, and 1.18 times that of the EC, respectively. Sensitivity experiments identified several input parameters for the MGM method as first-order parameters that affect the estimated Vd(O3). A 10% uncertainty in the wind speed attenuation coefficient or canopy displacement height can cause about 10% uncertainty in the estimated Vd(O3). An unrealistic leaf area density vertical profile can cause an uncertainty of a factor of 2.0 in the estimated Vd(O3). Other input parameters or formulas for stability functions only caused an uncertainly of a few percent. The new method provides an alternative approach to monitoring/estimating long-term deposition fluxes of similar pollutants over tall canopies.
A modified micrometeorological gradient method for estimating O3 dry deposition over a forest canopy
NASA Astrophysics Data System (ADS)
Wu, Z. Y.; Zhang, L.; Wang, X. M.; Munger, J. W.
2015-01-01
Small pollutant concentration gradients between levels above a plant canopy result in large uncertainties in estimated air-surface exchange fluxes when using existing micrometeorological gradient methods, including the aerodynamic gradient method (AGM) and the modified Bowen-Ratio method (MBR). A modified micrometeorological gradient method (MGM) is proposed in this study for estimating O3 dry deposition fluxes over a forest canopy using concentration gradients between a level above and a level below the canopy top, taking advantage of relatively large gradients between these levels due to significant pollutant uptake at top layers of the canopy. The new method is compared with the AGM and MBR methods and is also evaluated using eddy-covariance (EC) flux measurements collected at the Harvard Forest Environmental Measurement Site, Massachusetts during 1993-2000. All the three gradient methods (AGM, MBR and MGM) produced similar diurnal cycles of O3 dry deposition velocity (Vd(O3)) to the EC measurements, with the MGM method being the closest in magnitude to the EC measurements. The multi-year average Vd(O3) differed significantly between these methods, with the AGM, MBR and MGM method being 2.28, 1.45 and 1.18 times of that of the EC. Sensitivity experiments identified several input parameters for the MGM method as first-order parameters that affect the estimated Vd(O3). A 10% uncertainty in the wind speed attenuation coefficient or canopy displacement height can cause about 10% uncertainty in the estimated Vd(O3). An unrealistic leaf area density vertical profile can cause an uncertainty of a factor of 2.0 in the estimated Vd(O3). Other input parameters or formulas for stability functions only caused an uncertainly of a few percent. The new method provides an alternative approach in monitoring/estimating long-term deposition fluxes of similar pollutants over tall canopies.
An analysis method for evaluating gradient-index fibers based on Monte Carlo method
NASA Astrophysics Data System (ADS)
Yoshida, S.; Horiuchi, S.; Ushiyama, Z.; Yamamoto, M.
2011-05-01
We propose a numerical analysis method for evaluating gradient-index (GRIN) optical fiber using the Monte Carlo method. GRIN optical fibers are widely used in optical information processing and communication applications, such as an image scanner, fax machine, optical sensor, and so on. An important factor which decides the performance of GRIN optical fiber is modulation transfer function (MTF). The MTF of a fiber is swayed by condition of manufacturing process such as temperature. Actual measurements of the MTF of a GRIN optical fiber using this method closely match those made by conventional methods. Experimentally, the MTF is measured using a square wave chart, and is then calculated based on the distribution of output strength on the chart. In contrast, the general method using computers evaluates the MTF based on a spot diagram made by an incident point light source. But the results differ greatly from those by experiment. In this paper, we explain the manufacturing process which affects the performance of GRIN optical fibers and a new evaluation method similar to the experimental system based on the Monte Carlo method. We verified that it more closely matches the experimental results than the conventional method.
A new gradient shimming method based on undistorted field map of B0 inhomogeneity.
Bao, Qingjia; Chen, Fang; Chen, Li; Song, Kan; Liu, Zao; Liu, Chaoyang
2016-04-01
Most existing gradient shimming methods for NMR spectrometers estimate field maps that resolve B0 inhomogeneity spatially from dual gradient-echo (GRE) images acquired at different echo times. However, the distortions induced by B0 inhomogeneity that always exists in the GRE images can result in estimated field maps that are distorted in both geometry and intensity, leading to inaccurate shimming. This work proposes a new gradient shimming method based on undistorted field map of B0 inhomogeneity obtained by a more accurate field map estimation technique. Compared to the traditional field map estimation method, this new method exploits both the positive and negative polarities of the frequency encoded gradients to eliminate the distortions caused by B0 inhomogeneity in the field map. Next, the corresponding automatic post-data procedure is introduced to obtain undistorted B0 field map based on knowledge of the invariant characteristics of the B0 inhomogeneity and the variant polarity of the encoded gradient. The experimental results on both simulated and real gradient shimming tests demonstrate the high performance of this new method. PMID:26851711
A new gradient shimming method based on undistorted field map of B0 inhomogeneity
NASA Astrophysics Data System (ADS)
Bao, Qingjia; Chen, Fang; Chen, Li; Song, Kan; Liu, Zao; Liu, Chaoyang
2016-04-01
Most existing gradient shimming methods for NMR spectrometers estimate field maps that resolve B0 inhomogeneity spatially from dual gradient-echo (GRE) images acquired at different echo times. However, the distortions induced by B0 inhomogeneity that always exists in the GRE images can result in estimated field maps that are distorted in both geometry and intensity, leading to inaccurate shimming. This work proposes a new gradient shimming method based on undistorted field map of B0 inhomogeneity obtained by a more accurate field map estimation technique. Compared to the traditional field map estimation method, this new method exploits both the positive and negative polarities of the frequency encoded gradients to eliminate the distortions caused by B0 inhomogeneity in the field map. Next, the corresponding automatic post-data procedure is introduced to obtain undistorted B0 field map based on knowledge of the invariant characteristics of the B0 inhomogeneity and the variant polarity of the encoded gradient. The experimental results on both simulated and real gradient shimming tests demonstrate the high performance of this new method.
A modified form of conjugate gradient method for unconstrained optimization problems
NASA Astrophysics Data System (ADS)
Ghani, Nur Hamizah Abdul; Rivaie, Mohd.; Mamat, Mustafa
2016-06-01
Conjugate gradient (CG) methods have been recognized as an interesting technique to solve optimization problems, due to the numerical efficiency, simplicity and low memory requirements. In this paper, we propose a new CG method based on the study of Rivaie et al. [7] (Comparative study of conjugate gradient coefficient for unconstrained Optimization, Aus. J. Bas. Appl. Sci. 5(2011) 947-951). Then, we show that our method satisfies sufficient descent condition and converges globally with exact line search. Numerical results show that our proposed method is efficient for given standard test problems, compare to other existing CG methods.
Methods for Fabricating Gradient Alloy Articles with Multi-Functional Properties
NASA Technical Reports Server (NTRS)
Hofmann, Douglas C. (Inventor); Borgonia, John Paul C. (Inventor); Dillon, Robert P. (Inventor); Suh, Eric J. (Inventor); Mulder, Jerry L. (Inventor); Gardner, Paul B. (Inventor)
2015-01-01
Systems and methods for fabricating multi-functional articles comprised of additively formed gradient materials are provided. The fabrication of multi-functional articles using the additive deposition of gradient alloys represents a paradigm shift from the traditional way that metal alloys and metal/metal alloy parts are fabricated. Since a gradient alloy that transitions from one metal to a different metal cannot be fabricated through any conventional metallurgy techniques, the technique presents many applications. Moreover, the embodiments described identify a broad range of properties and applications.
Zhou, Wang; Yoo, H M; Prabhu-Gaunkar, S; Tiemann, L; Reichl, C; Wegscheider, W; Grayson, M
2015-10-30
A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. PMID:26565488
NASA Astrophysics Data System (ADS)
Zhou, Wang; Yoo, H. M.; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.; Grayson, M.
2015-10-01
A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients.
Coherent gradient sensing method and system for measuring surface curvature
NASA Technical Reports Server (NTRS)
Rosakis, Ares J. (Inventor); Singh, Ramen P. (Inventor); Kolawa, Elizabeth (Inventor); Moore, Jr., Nicholas R. (Inventor)
2000-01-01
A system and method for determining a curvature of a specularly reflective surface based on optical interference. Two optical gratings are used to produce a spatial displacement in an interference field of two different diffraction components produced by one grating from different diffraction components produced by another grating. Thus, the curvature of the surface can be determined.
NASA Astrophysics Data System (ADS)
Yuan, Yuan; Gao, Jin-Yao; Chen, Ling-Na
2016-07-01
Full tensor gravity gradient data contain nine signal components. They include higher frequency signals than traditional gravity data, which can extract the small-scale features of the sources. Edge detection has played an important role in the interpretation of potential-field data. There are many methods that have been proposed to detect and enhance the edges of geological bodies based on horizontal and vertical derivatives of potential-field data. In order to make full use of all the measured gradient components, we need to develop a new edge detector to process the full tensor gravity gradient data. We first define the directional Theta and use the horizontal directional Theta to define a new edge detector. This method was tested on synthetic and real full tensor gravity gradient data to validate its feasibility. Compared the results with other balanced detectors, the new detector can effectively delineate the edges and does not produce any additional false edges.
A finite element conjugate gradient FFT method for scattering
NASA Technical Reports Server (NTRS)
Collins, Jeffery D.; Ross, Dan; Jin, J.-M.; Chatterjee, A.; Volakis, John L.
1991-01-01
Validated results are presented for the new 3D body of revolution finite element boundary integral code. A Fourier series expansion of the vector electric and mangnetic fields is employed to reduce the dimensionality of the system, and the exact boundary condition is employed to terminate the finite element mesh. The mesh termination boundary is chosen such that is leads to convolutional boundary operatores of low O(n) memory demand. Improvements of this code are discussed along with the proposed formulation for a full 3D implementation of the finite element boundary integral method in conjunction with a conjugate gradiant fast Fourier transformation (CGFFT) solution.
A finite element conjugate gradient FFT method for scattering
NASA Technical Reports Server (NTRS)
Collins, Jeffery D.; Zapp, John; Hsa, Chang-Yu; Volakis, John L.
1990-01-01
An extension of a two dimensional formulation is presented for a three dimensional body of revolution. With the introduction of a Fourier expansion of the vector electric and magnetic fields, a coupled two dimensional system is generated and solved via the finite element method. An exact boundary condition is employed to terminate the mesh and the fast fourier transformation (FFT) is used to evaluate the boundary integrals for low O(n) memory demand when an iterative solution algorithm is used. By virtue of the finite element method, the algorithm is applicable to structures of arbitrary material composition. Several improvements to the two dimensional algorithm are also described. These include: (1) modifications for terminating the mesh at circular boundaries without distorting the convolutionality of the boundary integrals; (2) the development of nonproprietary mesh generation routines for two dimensional applications; (3) the development of preprocessors for interfacing SDRC IDEAS with the main algorithm; and (4) the development of post-processing algorithms based on the public domain package GRAFIC to generate two and three dimensional gray level and color field maps.
A comparison of gradient estimation methods for volume rendering on unstructured meshes.
Correa, Carlos D; Hero, Robert; Ma, Kwan-Liu
2011-03-01
This paper presents a study of gradient estimation methods for rendering unstructured-mesh volume data. Gradient estimation is necessary for rendering shaded isosurfaces and specular highlights, which provide important cues for shape and depth. Gradient estimation has been widely studied and deployed for regular-grid volume data to achieve local illumination effects, but has been, otherwise, for unstructured-mesh data. As a result, most of the unstructured-mesh volume visualizations made so far were unlit. In this paper, we present a comprehensive study of gradient estimation methods for unstructured meshes with respect to their cost and performance. Through a number of benchmarks, we discuss the effects of mesh quality and scalar function complexity in the accuracy of the reconstruction, and their impact in lighting-enabled volume rendering. Based on our study, we also propose two heuristic improvements to the gradient reconstruction process. The first heuristic improves the rendering quality with a hybrid algorithm that combines the results of the multiple reconstruction methods, based on the properties of a given mesh. The second heuristic improves the efficiency of its GPU implementation, by restricting the computation of the gradient on a fixed-size local neighborhood. PMID:21233515
A new type of descent conjugate gradient method with exact line search
NASA Astrophysics Data System (ADS)
Hajar, Nurul; Mamat, Mustafa; Rivaie, Mohd.; Jusoh, Ibrahim
2016-06-01
Nowadays, conjugate gradient (CG) methods are impressive for solving nonlinear unconstrained optimization problems. In this paper, a new CG method is proposed and analyzed. This new CG method satisfies descent condition and its global convergence is established using exact line search. Numerical results show that this new CG method substantially outperforms the previous CG methods. This new CG method is considered robust, efficient and provided faster and stable convergence.
Preconditioned conjugate gradient methods for the Navier-Stokes equations
Ajmani, K.; Ng, Wing Fai ); Liou, Meng Sing )
1994-01-01
A preconditioned Krylov subspace method (GMRES) is used to solve the linear systems of equations formed at each time-integration step of the unsteady, two-dimensional, compressible Navier-Stokes equations of fluid flow. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux-split formulations. Several preconditioning techniques are investigated to enhance the efficiency and convergence rate of the implicit solver based on the GMRES algorithm. The superiority of the new solver is established by comparisons with a (LGSR). Computational test results for low-speed (incompressible flow over a backward-facing step at Mach 0.1), transonic flow (trailing edge flow in a transonic turbine cascade), and hypersonic flow (shock-on-shock interactions on a cylindrical leading edge at Mach 6.0) are presented. For the Mach 0.1 case, overall speedup factors of up to 17 (in terms of time-steps) and 15 (in terms of CPU times on a CRAY-YMP/8) are found in favor of the preconditioned GMRES solver, when compared with the LGSR solver. The corresponding speedup factors for the transonic flow cases are 17 and 23, respectively. The hypersonic flow case shows slightly lower speedup factors of 9 and 13, respectively. The study of preconditioners conducted in this research reveals that a new LUSGS-type preconditioner is much more efficient than a conventional incomplete LU-type preconditioner. 34 refs., 15 figs.
Preconditioned conjugate gradient methods for the Navier-Stokes equations
NASA Technical Reports Server (NTRS)
Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing
1994-01-01
A preconditioned Krylov subspace method (GMRES) is used to solve the linear systems of equations formed at each time-integration step of the unsteady, two-dimensional, compressible Navier-Stokes equations of fluid flow. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux-split formulation. Several preconditioning techniques are investigated to enhance the efficiency and convergence rate of the implicit solver based on the GMRES algorithm. The superiority of the new solver is established by comparisons with a conventional implicit solver, namely line Gauss-Seidel relaxation (LGSR). Computational test results for low-speed (incompressible flow over a backward-facing step at Mach 0.1), transonic flow (trailing edge flow in a transonic turbine cascade), and hypersonic flow (shock-on-shock interactions on a cylindrical leading edge at Mach 6.0) are presented. For the Mach 0.1 case, overall speedup factors of up to 17 (in terms of time-steps) and 15 (in terms of CPU time on a CRAY-YMP/8) are found in favor of the preconditioned GMRES solver, when compared with the LGSR solver. The corresponding speedup factors for the transonic flow case are 17 and 23, respectively. The hypersonic flow case shows slightly lower speedup factors of 9 and 13, respectively. The study of preconditioners conducted in this research reveals that a new LUSGS-type preconditioner is much more efficient than a conventional incomplete LU-type preconditioner.
HNO 3 fluxes to a deciduous forest derived using gradient and REA methods
NASA Astrophysics Data System (ADS)
Pryor, S. C.; Barthelmie, R. J.; Jensen, B.; Jensen, N. O.; Sørensen, L. L.
Summertime nitric acid concentrations over a deciduous forest in the midwestern United States are reported, which range between 0.36 and 3.3 μg m -3. Fluxes to the forest are computed using the relaxed eddy accumulation technique and gradient methods. In accord with previous studies, the results indicate substantial uncertainties in the gradient-based calculations. The relaxed eddy accumulation (REA) derived fluxes are physically reasonable and are shown to be of similar magnitude to dry deposition estimates from gradient sampling. The REA derived mean deposition velocity is approximately 3 cm s -1, which is also comparable to growing season estimates derived by Meyers et al. for a similar deciduous forest. Occasional inverted concentration gradients and fluxes are observed but most are not statistically significant. Data are also presented that indicate substantial through canopy penetration of nitric acid.
A simple method for MR elastography: a gradient-echo type multi-echo sequence.
Numano, Tomokazu; Mizuhara, Kazuyuki; Hata, Junichi; Washio, Toshikatsu; Homma, Kazuhiro
2015-01-01
To demonstrate the feasibility of a novel MR elastography (MRE) technique based on a conventional gradient-echo type multi-echo MR sequence which does not need additional bipolar magnetic field gradients (motion encoding gradient: MEG), yet is sensitive to vibration. In a gradient-echo type multi-echo MR sequence, several images are produced from each echo of the train with different echo times (TEs). If these echoes are synchronized with the vibration, each readout's gradient lobes achieve a MEG-like effect, and the later generated echo causes a greater MEG-like effect. The sequence was tested for the tissue-mimicking agarose gel phantoms and the psoas major muscles of healthy volunteers. It was confirmed that the readout gradient lobes caused an MEG-like effect and the later TE images had higher sensitivity to vibrations. The magnitude image of later generated echo suffered the T2 decay and the susceptibility artifacts, but the wave image and elastogram of later generated echo were unaffected by these effects. In in vivo experiments, this method was able to measure the mean shear modulus of the psoas major muscle. From the results of phantom experiments and volunteer studies, it was shown that this method has clinical application potential. PMID:25311570
Basic theory and experimental techniques of the strain-gradient method
Hecker, F.W.; Pindera, J.T.
1987-09-01
The theories of presently used experimental methods of stress and deformation analysis which employ radiant energy as a detector are based on the assumption that light propagates rectilinearly within both undeformed and deformed bodies which are initially homogeneous and isotropic when diffraction phenomena are negligible. This assumption is not correct: light propagation within deformed bodies is nonrectilinear in a general case. Although this has already been observed and applied practically by some researchers in photoelasticity, it has not so far been generally acknowledged and accepted in experimental mechanics. On the basis of empirical data produced in the period 1948-1983, theories and foundations are presented for a new experimental method which is based on the relations between stress/strain gradients and curvatures of light beams. This method is called the strain-gradient method or, less rigorously, gradient photoelasticity. 39 references.
Sokolov, Viktor I; Panchenko, Vladislav Ya; Seminogov, V N
2012-08-31
A method is proposed for measuring the refractive index gradient n(z) in nonuniformly thick dielectric films. The method is based on the excitation of waveguide modes in a film using the prism coupling technique and on the calculation of n(z) and film thickness H{sub f} with the help of the angular positions of the TE or TM modes. The method can be used for an arbitrary shape of the index modulation over the film thickness in the limit of a small gradient [{Delta} n(z)/n(z) || 1]. (laser applications and other topics in quantum electronics)
An M-step preconditioned conjugate gradient method for parallel computation
NASA Technical Reports Server (NTRS)
Adams, L.
1983-01-01
This paper describes a preconditioned conjugate gradient method that can be effectively implemented on both vector machines and parallel arrays to solve sparse symmetric and positive definite systems of linear equations. The implementation on the CYBER 203/205 and on the Finite Element Machine is discussed and results obtained using the method on these machines are given.
[Head and Neck Tumor Segmentation Based on Augmented Gradient Level Set Method].
Zhang, Qiongmin; Zhang, Jing; Wang, Mintang; He, Ling; Men, Yi; Wei, Jun; Haung, Hua
2015-08-01
To realize the accurate positioning and quantitative volume measurement of tumor in head and neck tumor CT images, we proposed a level set method based on augmented gradient. With the introduction of gradient information in the edge indicator function, our proposed level set model is adaptive to different intensity variation, and achieves accurate tumor segmentation. The segmentation result has been used to calculate tumor volume. In large volume tumor segmentation, the proposed level set method can reduce manual intervention and enhance the segmentation accuracy. Tumor volume calculation results are close to the gold standard. From the experiment results, the augmented gradient based level set method has achieved accurate head and neck tumor segmentation. It can provide useful information to computer aided diagnosis. PMID:26710464
NASA Technical Reports Server (NTRS)
Leong, Harrison Monfook
1988-01-01
General formulae for mapping optimization problems into systems of ordinary differential equations associated with artificial neural networks are presented. A comparison is made to optimization using gradient-search methods. The performance measure is the settling time from an initial state to a target state. A simple analytical example illustrates a situation where dynamical systems representing artificial neural network methods would settle faster than those representing gradient-search. Settling time was investigated for a more complicated optimization problem using computer simulations. The problem was a simplified version of a problem in medical imaging: determining loci of cerebral activity from electromagnetic measurements at the scalp. The simulations showed that gradient based systems typically settled 50 to 100 times faster than systems based on current neural network optimization methods.
NASA Astrophysics Data System (ADS)
Zhao, Li-Ming; Yue, Gui-Kuan; Zhou, Yun-Song; Wang, Fu-He
2015-04-01
A new method, namely the nonlinear conjugate-gradient (NCG) method, is proposed to design nonlinear domains with a disordered distribution, in which an efficient broadband second harmonic generation can be achieved simultaneously with high conversion efficiency. It is demonstrated by numerical simulation that the NCG method has obvious advantages in realizing the optimal quasi-phase-matching, in comparison with the traditional simulated annealing method.
Stable iteratively regularized gradient method for nonlinear irregular equations under large noise
NASA Astrophysics Data System (ADS)
Kokurin, Mihail Yu
2006-02-01
We consider an iteratively regularized version of the method of gradient descent for solving nonlinear irregular equations F(x) = 0 in a Hilbert space. When studying regularization methods for such equations with noisy operators F, traditional conditions on available approximations {\\skew3\\widetilde{F}} amount to error estimates of the form \\Vert {\\skew3\\widetilde{F}}(x)- F(x) \\Vert \\leq \\delta , for x from a neighbourhood of a solution. Convergence of the methods is usually established on the assumption that the error level δ → 0, i.e. that noisy elements {\\skew3\\widetilde{F}}(x) strongly converge to the exact value F(x). In this paper we analyse approximating properties of the regularized gradient method assuming that {\\skew3\\widetilde{F}}(x) may converge to F(x) only weakly. We suggest an a priori stopping rule for the gradient iteration and give error estimates for obtained approximate solutions in terms of levels of strong and weak perturbations of the original operator. The main theorem generalizes recent results of Bakushinsky and Kokurin (2004 Iterative Methods for Approximate Solution of Inverse Problems (Dordrecht: Springer)) on the stopping of regularized gradient method under strong perturbations of F.
A new robust gradient-based method for detection of symmetry axis
NASA Astrophysics Data System (ADS)
Hu, Jing; Wan, Qinqi; Hu, Yongli
2015-12-01
Symmetry axis extraction is an important part of the image feature detection. So far, various classical symmetry axes extraction algorithms have been proposed, such as the minimum-inertia-axis-based method, the SIFT-based method. If the input image is blurry, or it's difficult to extract feature points or corner points from input images, however, the above algorithms are difficult to obtain satisfied results. This paper presents a gradient-based method that can robustly extract symmetry axis from visual pattern. The key points of our methods are gradient calculation, symmetric weight calculation, and Hough Transform. Our method was evaluated on several datasets, including both blurred and smooth-edged cases. Experimental results demonstrated that our method achieves a more robust performance than previous methods.
NASA Technical Reports Server (NTRS)
Sozer, Emre; Brehm, Christoph; Kiris, Cetin C.
2014-01-01
A survey of gradient reconstruction methods for cell-centered data on unstructured meshes is conducted within the scope of accuracy assessment. Formal order of accuracy, as well as error magnitudes for each of the studied methods, are evaluated on a complex mesh of various cell types through consecutive local scaling of an analytical test function. The tests highlighted several gradient operator choices that can consistently achieve 1st order accuracy regardless of cell type and shape. The tests further offered error comparisons for given cell types, leading to the observation that the "ideal" gradient operator choice is not universal. Practical implications of the results are explored via CFD solutions of a 2D inviscid standing vortex, portraying the discretization error properties. A relatively naive, yet largely unexplored, approach of local curvilinear stencil transformation exhibited surprisingly favorable properties
Surface profile and stress field evaluation using digital gradient sensing method
NASA Astrophysics Data System (ADS)
Miao, C.; Sundaram, B. M.; Huang, L.; Tippur, H. V.
2016-09-01
Shape and surface topography evaluation from measured orthogonal slope/gradient data is of considerable engineering significance since many full-field optical sensors and interferometers readily output such a data accurately. This has applications ranging from metrology of optical and electronic elements (lenses, silicon wafers, thin film coatings), surface profile estimation, wave front and shape reconstruction, to name a few. In this context, a new methodology for surface profile and stress field determination based on a recently introduced non-contact, full-field optical method called digital gradient sensing (DGS) capable of measuring small angular deflections of light rays coupled with a robust finite-difference-based least-squares integration (HFLI) scheme in the Southwell configuration is advanced here. The method is demonstrated by evaluating (a) surface profiles of mechanically warped silicon wafers and (b) stress gradients near growing cracks in planar phase objects.
NASA Astrophysics Data System (ADS)
Grayson, M.; Zhou, Wang; Yoo, Heun-Mo; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.
A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. Results will be shown of various semoconductor systems where this method is applied, from bulk doped semiconductors, to exfoliated 2D materials. McCormick Catalyst Award from Northwestern University, EECS Bridge Funding, and AFOSR FA9550-15-1-0247.
Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices
NASA Technical Reports Server (NTRS)
Freund, Roland
1989-01-01
We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.
Using the gradient method to measure soil gas fluxes: limitations and pitfalls
NASA Astrophysics Data System (ADS)
Martin, Martin; Schack-Kirchner, Helmer
2015-04-01
The gradient method (De Jong & Schappert,1974) can be used to determine gas efflux from the soil, representing an alternative to the widely used chamber methods. In addition, valuable information about the vertical distribution of the sources/sinks of gas (e.g. CO2, CH4) in the soil can be derived. Although the method seems to be simple, care must be taken whether all assumption and simplifications are made: (1) Diffusion only: Gas transport can be described by Fick's law. (2) 1D vertical gas diffusion: No horizontal concentration gradients. (3) Gas diffusion in the soil is at steady-state: Changes are negligible. If the preconditions are not met, the gradient method may yield unreliable results. We tried to address some of these and further issues in different studies. We identified the method used to interpolate the gas concentration profile between the measurement locations as an issue affecting substantially the calculated efflux and vertical partitioning. Another critical issue is deriving the correct soil gas diffusivity. The assumption of steady-state diffusion is not always justified, especially after rain, and may lead to substantial misinterpretation if ignored. We also observed that soil gas transport can be affected by turbulence-driven pressure-pumping, so that the effect of non-diffusive gas transport must be considered. The Temporal and spatial resolution must match the research question and gas species. The gradient method is a valuable tool , that, Ideally, the GM should be used on well aerated, horizontally homogeneous soils where gas exchange is entirely driven by diffusion. Here the gradient method promises to yield reliable results when soil respiration and methane consumption is studied. Substantial discrepancy in these conditions could lead to increasing uncertainty in the flux estimates
A spectral KRMI conjugate gradient method under the strong-Wolfe line search
NASA Astrophysics Data System (ADS)
Khadijah, Wan; Rivaie, Mohd.; Mamat, Mustafa; Jusoh, Ibrahim
2016-06-01
In this paper, a modification of spectral conjugate gradient (CG) method is proposed which combines the advantages of the spectral CG method and the RMIL method namely as spectral Khadijah-Rivaie-Mustafa-Ibrahim (SKRMI) to solve unconstrained optimization problems. Based on inexact line searches, the objective function generates a sufficient descent direction and the global convergence property for the proposed method has been proved. Moreover, the method reduces to the standard RMIL method if exact line search is applied. Numerical results are also presented to examine the efficiency of the proposed method.
Edge gradients evaluation for 2D hybrid finite volume method model
Technology Transfer Automated Retrieval System (TEKTRAN)
In this study, a two-dimensional depth-integrated hydrodynamic model was developed using FVM on a hybrid unstructured collocated mesh system. To alleviate the negative effects of mesh irregularity and non-uniformity, a conservative evaluation method for edge gradients based on the second-order Tayl...
NASA Astrophysics Data System (ADS)
Fang, W.; Quan, S. H.; Xie, C. J.; Tang, X. F.; Wang, L. L.; Huang, L.
2016-03-01
In this study, a direct-current/direct-current (DC/DC) converter with maximum power point tracking (MPPT) is developed to down-convert the high voltage DC output from a thermoelectric generator to the lower voltage required to charge batteries. To improve the tracking accuracy and speed of the converter, a novel MPPT control scheme characterized by an aggregated dichotomy and gradient (ADG) method is proposed. In the first stage, the dichotomy algorithm is used as a fast search method to find the approximate region of the maximum power point. The gradient method is then applied for rapid and accurate tracking of the maximum power point. To validate the proposed MPPT method, a test bench composed of an automobile exhaust thermoelectric generator was constructed for harvesting the automotive exhaust heat energy. Steady-state and transient tracking experiments under five different load conditions were carried out using a DC/DC converter with the proposed ADG and with three traditional methods. The experimental results show that the ADG method can track the maximum power within 140 ms with a 1.1% error rate when the engine operates at 3300 rpm@71 NM, which is superior to the performance of the single dichotomy method, the single gradient method and the perturbation and observation method from the viewpoint of improved tracking accuracy and speed.
Bernal, Javier; Torres-Jimenez, Jose
2015-01-01
SAGRAD (Simulated Annealing GRADient), a Fortran 77 program for computing neural networks for classification using batch learning, is discussed. Neural network training in SAGRAD is based on a combination of simulated annealing and Møller's scaled conjugate gradient algorithm, the latter a variation of the traditional conjugate gradient method, better suited for the nonquadratic nature of neural networks. Different aspects of the implementation of the training process in SAGRAD are discussed, such as the efficient computation of gradients and multiplication of vectors by Hessian matrices that are required by Møller's algorithm; the (re)initialization of weights with simulated annealing required to (re)start Møller's algorithm the first time and each time thereafter that it shows insufficient progress in reaching a possibly local minimum; and the use of simulated annealing when Møller's algorithm, after possibly making considerable progress, becomes stuck at a local minimum or flat area of weight space. Outlines of the scaled conjugate gradient algorithm, the simulated annealing procedure and the training process used in SAGRAD are presented together with results from running SAGRAD on two examples of training data. PMID:26958442
Bernal, Javier; Torres-Jimenez, Jose
2015-01-01
SAGRAD (Simulated Annealing GRADient), a Fortran 77 program for computing neural networks for classification using batch learning, is discussed. Neural network training in SAGRAD is based on a combination of simulated annealing and Møller’s scaled conjugate gradient algorithm, the latter a variation of the traditional conjugate gradient method, better suited for the nonquadratic nature of neural networks. Different aspects of the implementation of the training process in SAGRAD are discussed, such as the efficient computation of gradients and multiplication of vectors by Hessian matrices that are required by Møller’s algorithm; the (re)initialization of weights with simulated annealing required to (re)start Møller’s algorithm the first time and each time thereafter that it shows insufficient progress in reaching a possibly local minimum; and the use of simulated annealing when Møller’s algorithm, after possibly making considerable progress, becomes stuck at a local minimum or flat area of weight space. Outlines of the scaled conjugate gradient algorithm, the simulated annealing procedure and the training process used in SAGRAD are presented together with results from running SAGRAD on two examples of training data. PMID:26958442
A new Liu-Storey type nonlinear conjugate gradient method for unconstrained optimization problems
NASA Astrophysics Data System (ADS)
Zhang, Li
2009-03-01
Although the Liu-Storey (LS) nonlinear conjugate gradient method has a similar structure as the well-known Polak-Ribière-Polyak (PRP) and Hestenes-Stiefel (HS) methods, research about this method is very rare. In this paper, based on the memoryless BFGS quasi-Newton method, we propose a new LS type method, which converges globally for general functions with the Grippo-Lucidi line search. Moreover, we modify this new LS method such that the modified scheme is globally convergent for nonconvex minimization if the strong Wolfe line search is used. Numerical results are also reported.
A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates
Wang, Hanquan
2014-10-01
In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.
Interpretation of Gravity Anomalies with the Normalized Full Gradient (NFG) Method and an Example
NASA Astrophysics Data System (ADS)
Aydin, Ali
2007-12-01
The Normalized Full Gradient (NFG) method which was put forward about 50 years ago has been used for downward continuation of gravity potential data, especially in the former Union of Soviet Socialist Republics. This method nullifies perturbations due to the passage of mass depth during downward continuation. The method depends on the downwards analytical continuation of normalized full gradient values of gravity data. Analytical continuation discriminates certain structural anomalies which cannot be distinguished in the observed gravity field. This method has been used in various petroleum and tectonic studies. The Trapeze method was used for the determination of Fourier coefficients during the application of this method. No other techniques for calculating these coefficients have been used. However, the Filon method was used for the determination of Fourier coefficients during the application of the NFG method in this work. This method, rather than the Trapeze method, should be preferred for indicating abnormal mass resources at the lower harmonics. In this study, the NFG method using the Filon method has been applied the first time to theoretical models of gravity profiles as example field at the Hasankale-Horasan petroleum exploration province where successful results were achieved. Hydrocarbon presence was shown on the NFG sections by the application of NFG downward continuation operations on theoretical models. Important signs of hydrocarbon structure on the NFG section for field and model data at low harmonics are obtained more effectively using this method.
Dynamics of the adaptive natural gradient descent method for soft committee machines
NASA Astrophysics Data System (ADS)
Inoue, Masato; Park, Hyeyoung; Okada, Masato
2004-05-01
Adaptive natural gradient descent (ANGD) method realizes natural gradient descent (NGD) without needing to know the input distribution of learning data and reduces the calculation cost from a cubic order to a square order. However, no performance analysis of ANGD has been done. We have developed a statistical-mechanical theory of the simplified version of ANGD dynamics for soft committee machines in on-line learning; this method provides deterministic learning dynamics expressed through a few order parameters, even though ANGD intrinsically holds a large approximated Fisher information matrix. Numerical results obtained using this theory were consistent with those of a simulation, with respect not only to the learning curve but also to the learning failure. Utilizing this method, we numerically evaluated ANGD efficiency and found that ANGD generally performs as well as NGD. We also revealed the key condition affecting the learning plateau in ANGD.
Biconjugate gradient stabilized method in image deconvolution of a wavefront coding system
NASA Astrophysics Data System (ADS)
Liu, Peng; Liu, Qin-xiao; Zhao, Ting-yu; Chen, Yan-ping; Yu, Fei-hong
2013-04-01
The point spread function (PSF) is a non-rotational symmetric for the wavefront coding (WFC) system with a cubic phase mask (CPM). Antireflective boundary conditions (BCs) are used to eliminate the ringing effect on the border and vibration on the edge of the image. The Kronecker product approximation is used to reduce the computation consumption. The image-formation process of the WFC system is transformed into a matrix equation. In order to save storage space, biconjugate gradient (Bi-CG) and biconjugate gradient stabilized (Bi-CGSTAB) methods are used to solve the asymmetric matrix equation, which is a typical iteration algorithm of the Krylov subspace using the two-side Lanczos process. Simulation and experimental results illustrate the efficiency of the proposed algorithm for the image deconvolution. The result based on the Bi-CGSTAB method is smoother than the classic Wiener filter, while preserving more details than the Truncated Singular Value Decomposition (TSVD) method.
Evaluating angular deflections from the digital gradient sensing method with rigid-motion deleted
NASA Astrophysics Data System (ADS)
Zhang, Rui
2016-06-01
The digital gradient sensing method is used for measuring small angular deflections of light rays due to local stresses in transparent planar solids. The method is based on two-dimensional (2D) digital image correlation (DIC) to measure the angular deflection of light rays; however, when a specimen is subjected to loading, deformation measurement from DIC is not perfect because of the existence of small in-plane and out-of-plane motions of the test sample surface that occurred after loading. These disadvantages will lead to errors in the measured angular deflections. The influence of unavoidable in-plane and out-of-plane motions was discussed, and a method to eliminate the influence to show the pure stress gradient of polymethy methacrylate is demonstrated.
A modification of classical conjugate gradient method using strong Wolfe line search
NASA Astrophysics Data System (ADS)
Shoid, Syazni; Rivaie, Mohd.; Mamat, Mustafa
2016-06-01
Recently many researches try to develop and improve the Conjugate Gradient (CG) methods because of its convergence properties and low computation costing. In this paper, another CG coefficient (βk) will be proposed which is categorized as modification in such a way to improve the performance of the classical CG methods. This paper is focused on generating βk with several desirable properties: (1) generate descent search direction at each iterations; and (2) converge globally by using strong Wolfe line search. Numerical comparisons of three CG methods show the robustness and the efficiency of the new method in solving all given problems.
NASA Technical Reports Server (NTRS)
Leone, Frank A., Jr.
2015-01-01
A method is presented to represent the large-deformation kinematics of intraply matrix cracks and delaminations in continuum damage mechanics (CDM) constitutive material models. The method involves the additive decomposition of the deformation gradient tensor into 'crack' and 'bulk material' components. The response of the intact bulk material is represented by a reduced deformation gradient tensor, and the opening of an embedded cohesive interface is represented by a normalized cohesive displacement-jump vector. The rotation of the embedded interface is tracked as the material deforms and as the crack opens. The distribution of the total local deformation between the bulk material and the cohesive interface components is determined by minimizing the difference between the cohesive stress and the bulk material stress projected onto the cohesive interface. The improvements to the accuracy of CDM models that incorporate the presented method over existing approaches are demonstrated for a single element subjected to simple shear deformation and for a finite element model of a unidirectional open-hole tension specimen. The material model is implemented as a VUMAT user subroutine for the Abaqus/Explicit finite element software. The presented deformation gradient decomposition method reduces the artificial load transfer across matrix cracks subjected to large shearing deformations, and avoids the spurious secondary failure modes that often occur in analyses based on conventional progressive damage models.
Predicting mechanical competence of trabecular bone using 3D tensor-scale-based parameters
NASA Astrophysics Data System (ADS)
Saha, Punam K.; Wald, Michael J.; Radin, Alex; Wehrli, Felix W.
2005-04-01
Trabecular bone (TB) consists of a network of interconnected struts and plates occurring near the joints of long bones and in the axial skeleton. In response to mechanical stresses it remodels such that trabeculae are aligned with the major stress lines, thus leading to a highly anisotropic network. Beside bone volume fraction, anisotropy and topological indices are known to be strong predictor of the TB mechanical competence. In osteoporosis, the most common bone disorder, the remodeling balance is perturbed due to increased resorption, resulting in net bone loss accompanied by architectural deterioration, leading to fragile bone and increased fracture risk. In vertebral osteoporosis, preferential loss of transverse trabeculae leads to increased anisotropy and change in topology, hence exact measurements of these parameters are of paramount interest. Current in vivo imaging yields voxel size comparable to TB thickness, thus resulting in inherently fuzzy representations. The commonly used methods for anisotropy require binarization which is difficult to achieve in the limited spatial resolution regime where the intensity histogram is mono-modal. Here, we present a new tensor scale (t-scale) based TB architectural measures that (1) obviates binarization, and (2) yields localized measures. We evaluate the performance of this method on micro-CT images of vertebral bone and test the hypothesis that the method, along with BMD and other structural parameters, allows prediction of TB"s mechanical competence. Toward this goal, we estimate Young"s modulus (YM) of (13mm)3 vertebral TB samples under uniaxial loading and examine linear correlation of different t-scale parameters computed via micro-CT imaging .
Limited-memory scaled gradient projection methods for real-time image deconvolution in microscopy
NASA Astrophysics Data System (ADS)
Porta, F.; Zanella, R.; Zanghirati, G.; Zanni, L.
2015-04-01
Gradient projection methods have given rise to effective tools for image deconvolution in several relevant areas, such as microscopy, medical imaging and astronomy. Due to the large scale of the optimization problems arising in nowadays imaging applications and to the growing request of real-time reconstructions, an interesting challenge to be faced consists in designing new acceleration techniques for the gradient schemes, able to preserve their simplicity and low computational cost of each iteration. In this work we propose an acceleration strategy for a state-of-the-art scaled gradient projection method for image deconvolution in microscopy. The acceleration idea is derived by adapting a step-length selection rule, recently introduced for limited-memory steepest descent methods in unconstrained optimization, to the special constrained optimization framework arising in image reconstruction. We describe how important issues related to the generalization of the step-length rule to the imaging optimization problem have been faced and we evaluate the improvements due to the acceleration strategy by numerical experiments on large-scale image deconvolution problems.
Efficient gradient projection methods for edge-preserving removal of Poisson noise
NASA Astrophysics Data System (ADS)
Zanella, R.; Boccacci, P.; Zanni, L.; Bertero, M.
2009-04-01
Several methods based on different image models have been proposed and developed for image denoising. Some of them, such as total variation (TV) and wavelet thresholding, are based on the assumption of additive Gaussian noise. Recently the TV approach has been extended to the case of Poisson noise, a model describing the effect of photon counting in applications such as emission tomography, microscopy and astronomy. For the removal of this kind of noise we consider an approach based on a constrained optimization problem, with an objective function describing TV and other edge-preserving regularizations of the Kullback-Leibler divergence. We introduce a new discrepancy principle for the choice of the regularization parameter, which is justified by the statistical properties of the Poisson noise. For solving the optimization problem we propose a particular form of a general scaled gradient projection (SGP) method, recently introduced for image deblurring. We derive the form of the scaling from a decomposition of the gradient of the regularization functional into a positive and a negative part. The beneficial effect of the scaling is proved by means of numerical simulations, showing that the performance of the proposed form of SGP is superior to that of the most efficient gradient projection methods. An extended numerical analysis of the dependence of the solution on the regularization parameter is also performed to test the effectiveness of the proposed discrepancy principle.
Analytical Energy Gradients for Excited-State Coupled-Cluster Methods
NASA Astrophysics Data System (ADS)
Wladyslawski, Mark; Nooijen, Marcel
The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit
Multi-color incomplete Cholesky conjugate gradient methods for vector computers. Ph.D. Thesis
NASA Technical Reports Server (NTRS)
Poole, E. L.
1986-01-01
In this research, we are concerned with the solution on vector computers of linear systems of equations, Ax = b, where A is a larger, sparse symmetric positive definite matrix. We solve the system using an iterative method, the incomplete Cholesky conjugate gradient method (ICCG). We apply a multi-color strategy to obtain p-color matrices for which a block-oriented ICCG method is implemented on the CYBER 205. (A p-colored matrix is a matrix which can be partitioned into a pXp block matrix where the diagonal blocks are diagonal matrices). This algorithm, which is based on a no-fill strategy, achieves O(N/p) length vector operations in both the decomposition of A and in the forward and back solves necessary at each iteration of the method. We discuss the natural ordering of the unknowns as an ordering that minimizes the number of diagonals in the matrix and define multi-color orderings in terms of disjoint sets of the unknowns. We give necessary and sufficient conditions to determine which multi-color orderings of the unknowns correpond to p-color matrices. A performance model is given which is used both to predict execution time for ICCG methods and also to compare an ICCG method to conjugate gradient without preconditioning or another ICCG method. Results are given from runs on the CYBER 205 at NASA's Langley Research Center for four model problems.
NASA Astrophysics Data System (ADS)
Cao, Jingjie; Wang, Yanfei; Wang, Benfeng
2015-08-01
Seismic interpolation, as an efficient strategy of providing reliable wavefields, belongs to large-scale computing problems. The rapid increase of data volume in high dimensional interpolation requires highly efficient methods to relieve computational burden. Most methods adopt the L1 norm as a sparsity constraint of solutions in some transformed domain; however, the L1 norm is non-differentiable and gradient-type methods cannot be applied directly. On the other hand, methods for unconstrained L1 norm optimisation always depend on the regularisation parameter which needs to be chosen carefully. In this paper, a fast gradient projection method for the smooth L1 problem is proposed based on the tight frame property of the curvelet transform that can overcome these shortcomings. Some smooth L1 norm functions are discussed and their properties are analysed, then the Huber function is chosen to replace the L1 norm. The novelty of the proposed method is that the tight frame property of the curvelet transform is utilised to improve the computational efficiency. Numerical experiments on synthetic and real data demonstrate the validity of the proposed method which can be used in large-scale computing.
NASA Astrophysics Data System (ADS)
Nie, Zhi-Feng; Zhou, Shen-Jie; Han, Ru-Jun; Xiao, Lin-Jing; Wang, Kai
2012-02-01
C 1 natural element method ( C 1 NEM) is applied to strain gradient linear elasticity, and size effects on microstructures are analyzed. The shape functions in C 1 NEM are built upon the natural neighbor interpolation (NNI), with interpolation realized to nodal function and nodal gradient values, so that the essential boundary conditions (EBCs) can be imposed directly in a Galerkin scheme for partial differential equations (PDEs). In the present paper, C 1 NEM for strain gradient linear elasticity is constructed, and several typical examples which have analytical solutions are presented to illustrate the effectiveness of the constructed method. In its application to microstructures, the size effects of bending stiffness and stress concentration factor (SCF) are studied for microspeciem and microgripper, respectively. It is observed that the size effects become rather strong when the width of spring for microgripper, the radius of circular perforation and the long axis of elliptical perforation for microspeciem come close to the material characteristic length scales. For the U-shaped notch, the size effects decline obviously with increasing notch radius, and decline mildly with increasing length of notch.
Fixed and pulsed gradient diffusion methods in low-field core analysis.
Leu, Gabriela; Fordham, Edmund J; Hürlimann, Martin D; Frulla, Phil
2005-02-01
We review diffusion-weighted relaxation protocols for two-dimensional diffusion/relaxation time (D, T(2)) distributions and their application to fluid-saturated sedimentary rocks at low fields typical of oil-well logging tools (< or = 2 MHz for 1H). Fixed field gradient (FFG) protocols may be implemented in logging tools and in the laboratory; there, pulsed field gradient (PFG) protocols are also available. In either category, direct or stimulated echoes may be used for the diffusion evolution periods. We compare the results of several variant FFG and PFG protocols obtained on liquids and two contrasting sedimentary rocks. For liquids and rocks of negligible internal gradients (g(int)), results are comparable, as expected, for all the studied protocols. For rocks of strong g(int), protocol-dependent artifacts are seen in the joint (D, T2) distributions, consistent with the effects of the internal fields. For laboratory petrophysics, the PFG methods offer several advantages: (a) significantly improved signal-to-noise ratio and acquisition times for repetitions over many samples; (b) freedom from heteronuclear contamination when fluorinated liquids are used in core holders; and (c) a palette of variants--one comparable with the FFG--for the study of rocks of significant g(int). Given suitable hardware, both PFG and FFG methods can be implemented in the same bench-top apparatus, providing a versatile test bed for application in a petrophysical laboratory. PMID:15833632
Wu, Wei; Fan, Qinwei; Zurada, Jacek M; Wang, Jian; Yang, Dakun; Liu, Yan
2014-02-01
The aim of this paper is to develop a novel method to prune feedforward neural networks by introducing an L1/2 regularization term into the error function. This procedure forces weights to become smaller during the training and can eventually removed after the training. The usual L1/2 regularization term involves absolute values and is not differentiable at the origin, which typically causes oscillation of the gradient of the error function during the training. A key point of this paper is to modify the usual L1/2 regularization term by smoothing it at the origin. This approach offers the following three advantages: First, it removes the oscillation of the gradient value. Secondly, it gives better pruning, namely the final weights to be removed are smaller than those produced through the usual L1/2 regularization. Thirdly, it makes it possible to prove the convergence of the training. Supporting numerical examples are also provided. PMID:24291693
A novel model-based hearing compensation design using a gradient-free optimization method.
Chen, Zhe; Becker, Suzanna; Bondy, Jeff; Bruce, Ian C; Haykin, Simon
2005-12-01
We propose a novel model-based hearing compensation strategy and gradient-free optimization procedure for a learning-based hearing aid design. Motivated by physiological data and normal and impaired auditory nerve models, a hearing compensation strategy is cast as a neural coding problem, and a Neurocompensator is designed to compensate for the hearing loss and enhance the speech. With the goal of learning the Neurocompensator parameters, we use a gradient-free optimization procedure, an improved version of the ALOPEX that we have developed, to learn the unknown parameters of the Neurocompensator. We present our methodology, learning procedure, and experimental results in detail; discussion is also given regarding the unsupervised learning and optimization methods. PMID:16212766
A gradient-free adaptation method for nonlinear active noise control
NASA Astrophysics Data System (ADS)
Spiriti, Emanuele; Morici, Simone; Piroddi, Luigi
2014-01-01
Active Noise Control (ANC) problems are often affected by nonlinear effects, such as saturation and distortion of microphones and loudspeakers. Nonlinear models and specific adaptation algorithms must be employed to properly account for these effects. The nonlinear structure of the problem complicates the application of gradient-based Least Mean Squares (LMS) algorithms, due to the fact that exact gradient calculation requires executing nonlinear recursive filtering operations, which pose computational and stability issues. One favored solution to this problem consists in neglecting recursive terms in the gradient calculation, an approximation which is not always without consequences on the convergence performance. Besides, an efficient application of nonlinear models cannot avoid some form of model structure selection, to avoid the well-known effects of overparametrization and to reduce the computational load on-line. Unfortunately, the standard ANC setting configures an indirect identification problem, due to the presence of the secondary path in the control loop. In the nonlinear case, this destroys the linear regression structure of the problem even if the control filter is linear-in-the-parameters, thereby making it impossible to apply the many existing model selection methods for linear regression problems. A simple and computationally wise low demanding approach is here proposed for parameter estimation and model structure selection that provides an answer to the mentioned issues. The proposed method avoids altogether the use of the error gradient and relies on direct cost function evaluations. A virtualization scheme is used to assess the accuracy improvements when the model is subject to parametric or structural modifications, without directly affecting the control performance. Several simulation examples are discussed to show the effectiveness of the proposed algorithms.
I like your GRIN: Deign methods for gradient-index progressive addition lenses
NASA Astrophysics Data System (ADS)
Fischer, David J.; Moore, Duncan T.
2002-12-01
Progressive addition lenses (PALs) are vision correction lenses with a continuous change in power, used to treat the physical condition presbyopia. These lenses are currently fabricated using non-rotationally symmetric surfaces to achieve the focal power transition and aberration control. In this research, we consider the use of Gradient-Index (GRIN) designs for providing both power progression and aberration control. The use of B-Spline curves for GRIN representation is explained. Design methods and simulation results for GRIN PALs are presented. Possible uses for the design methods with other lenses, such as unifocal lenses and axicons, are also discussed.
Fattebert, J.-L.
2010-01-20
An Accelerated Block Preconditioned Gradient (ABPG) method is proposed to solve electronic structure problems in Density Functional Theory. This iterative algorithm is designed to solve directly the non-linear Kohn-Sham equations for accurate discretization schemes involving a large number of degrees of freedom. It makes use of an acceleration scheme similar to what is known as RMM-DIIS in the electronic structure community. The method is illustrated with examples of convergence for large scale applications using a finite difference discretization and multigrid preconditioning.
ABCD matrix of the human lens gradient-index profile: applicability of the calculation methods.
Díaz, José Antonio
2008-01-10
The applicability of different approximate methods proposed to determine the paraxial properties of the gradient-index (GRIN) distribution resembling that of the human lens, by means of the system ABCD matrix, is tested. Thus, the parabolic-ray-path approximation has been extended to provide the ABCD matrix of a slab lens comprised of a rotationally GRIN medium. The results show that this method has good numerical stability, and it is also the easiest one in determining the Gaussian constants of the human lens GRIN profile. PMID:18188201
The conjugate gradient method for linear ill-posed problems with operator perturbations
NASA Astrophysics Data System (ADS)
Plato, Robert
1999-03-01
We consider an ill-posed problem Ta = f* in Hilbert spaces and suppose that the linear bounded operator T is approximately available, with a known estimate for the operator perturbation at the solution. As a numerical scheme the CGNR-method is considered, that is, the classical method of conjugate gradients by Hestenes and Stiefel applied to the associated normal equations. Two a posteriori stopping rules are introduced, and convergence results are provided for the corresponding approximations, respectively. As a specific application, a parameter estimation problem is considered.
NASA Astrophysics Data System (ADS)
Ye, Jinzuo; Du, Yang; An, Yu; Chi, Chongwei; Tian, Jie
2014-12-01
Fluorescence molecular tomography (FMT) is a promising imaging technique in preclinical research, enabling three-dimensional location of the specific tumor position for small animal imaging. However, FMT presents a challenging inverse problem that is quite ill-posed and ill-conditioned. Thus, the reconstruction of FMT faces various challenges in its robustness and efficiency. We present an FMT reconstruction method based on nonmonotone spectral projected gradient pursuit (NSPGP) with l1-norm optimization. At each iteration, a spectral gradient-projection method approximately minimizes a least-squares problem with an explicit one-norm constraint. A nonmonotone line search strategy is utilized to get the appropriate updating direction, which guarantees global convergence. Additionally, the Barzilai-Borwein step length is applied to build the optimal step length, further improving the convergence speed of the proposed method. Several numerical simulation studies, including multisource cases as well as comparative analyses, have been performed to evaluate the performance of the proposed method. The results indicate that the proposed NSPGP method is able to ensure the accuracy, robustness, and efficiency of FMT reconstruction. Furthermore, an in vivo experiment based on a heterogeneous mouse model was conducted, and the results demonstrated that the proposed method held the potential for practical applications of FMT.
Gradients for the partitioned equation-of-motion coupled-cluster method
Gwaltney, S.R.; Bartlett, R.J.
1996-12-31
The Equation-of-Motion Coupled-Cluster method restricted to singles and doubles (EOM-CCSD) is a highly accurate method for calculating excited states of molecules. Errors of 0.1 to 0.3 eV are typical for excitation energies. But a major drawback is that EOM-CCSD is an iterative n{sup 6} method, and for large cases the cost can be prohibitive. For a partitioned EOM-CCSD calculation, the doubles-doubles block of the H matrix is replaced with Ho. Combined with truncating the H matrix at second order (i.e. basing the excited state calculation on a MBPT(2) ground state), the partitioning technique creates an iterative n{sup 5} method for excited states, the P-EOM-MBPT(2) method. In this poster we will present the theory and examples of P-EOM-MBPT(2) gradient calculations. The gradients provide an inexpensive way to look at potential energy surfaces of excited states of molecules.
A comparison of the Monte Carlo and the flux gradient method for atmospheric diffusion
Lange, R.
1990-05-01
In order to model the dispersal of atmospheric pollutants in the planetary boundary layer, various methods of parameterizing turbulent diffusion have been employed. The purpose of this paper is to use a three-dimensional particle-in-cell transport and diffusion model to compare the Markov chain (Monte Carlo) method of statistical particle diffusion with the deterministic flux gradient (K-theory) method. The two methods are heavily used in the study of atmospheric diffusion under complex conditions, with the Monte Carlo method gaining in popularity partly because of its more direct application of turbulence parameters. The basis of comparison is a data set from night-time drainage flow tracer experiments performed by the US Department of Energy Atmospheric Studies in Complex Terrain (ASCOT) program at the Geysers geothermal region in northern California. The Atmospheric Diffusion Particle-In-Cell (ADPIC) model used is the main model in the Lawrence Livermore National Laboratory emergency response program: Atmospheric Release Advisory Capability (ARAC). As a particle model, it can simulate diffusion in both the flux gradient and Monte Carlo modes. 9 refs., 6 figs.
NASA Astrophysics Data System (ADS)
Jönsthövel, T. B.; van Gijzen, M. B.; MacLachlan, S.; Vuik, C.; Scarpas, A.
2012-09-01
Many applications in computational science and engineering concern composite materials, which are characterized by large discontinuities in the material properties. Such applications require fine-scale finite-element meshes, which lead to large linear systems that are challenging to solve with current direct and iterative solutions algorithms. In this paper, we consider the simulation of asphalt concrete, which is a mixture of components with large differences in material stiffness. The discontinuities in material stiffness give rise to many small eigenvalues that negatively affect the convergence of iterative solution algorithms such as the preconditioned conjugate gradient (PCG) method. This paper considers the deflated preconditioned conjugate gradient (DPCG) method in which the rigid body modes of sets of elements with homogeneous material properties are used as deflation vectors. As preconditioner we consider several variants of the algebraic multigrid smoothed aggregation method. We evaluate the performance of the DPCG method on a parallel computer using up to 64 processors. Our test problems are derived from real asphalt core samples, obtained using CT scans. We show that the DPCG method is an efficient and robust technique for solving these challenging linear systems.
A Sea-Sky Line Detection Method for Unmanned Surface Vehicles Based on Gradient Saliency.
Wang, Bo; Su, Yumin; Wan, Lei
2016-01-01
Special features in real marine environments such as cloud clutter, sea glint and weather conditions always result in various kinds of interference in optical images, which make it very difficult for unmanned surface vehicles (USVs) to detect the sea-sky line (SSL) accurately. To solve this problem a saliency-based SSL detection method is proposed. Through the computation of gradient saliency the line features of SSL are enhanced effectively, while other interference factors are relatively suppressed, and line support regions are obtained by a region growing method on gradient orientation. The SSL identification is achieved according to region contrast, line segment length and orientation features, and optimal state estimation of SSL detection is implemented by introducing a cubature Kalman filter (CKF). In the end, the proposed method is tested on a benchmark dataset from the "XL" USV in a real marine environment, and the experimental results demonstrate that the proposed method is significantly superior to other state-of-the-art methods in terms of accuracy rate and real-time performance, and its accuracy and stability are effectively improved by the CKF. PMID:27092503
A Sea-Sky Line Detection Method for Unmanned Surface Vehicles Based on Gradient Saliency
Wang, Bo; Su, Yumin; Wan, Lei
2016-01-01
Special features in real marine environments such as cloud clutter, sea glint and weather conditions always result in various kinds of interference in optical images, which make it very difficult for unmanned surface vehicles (USVs) to detect the sea-sky line (SSL) accurately. To solve this problem a saliency-based SSL detection method is proposed. Through the computation of gradient saliency the line features of SSL are enhanced effectively, while other interference factors are relatively suppressed, and line support regions are obtained by a region growing method on gradient orientation. The SSL identification is achieved according to region contrast, line segment length and orientation features, and optimal state estimation of SSL detection is implemented by introducing a cubature Kalman filter (CKF). In the end, the proposed method is tested on a benchmark dataset from the “XL” USV in a real marine environment, and the experimental results demonstrate that the proposed method is significantly superior to other state-of-the-art methods in terms of accuracy rate and real-time performance, and its accuracy and stability are effectively improved by the CKF. PMID:27092503
A Robust Gradient Based Method for Building Extraction from LiDAR and Photogrammetric Imagery
Siddiqui, Fasahat Ullah; Teng, Shyh Wei; Awrangjeb, Mohammad; Lu, Guojun
2016-01-01
Existing automatic building extraction methods are not effective in extracting buildings which are small in size and have transparent roofs. The application of large area threshold prohibits detection of small buildings and the use of ground points in generating the building mask prevents detection of transparent buildings. In addition, the existing methods use numerous parameters to extract buildings in complex environments, e.g., hilly area and high vegetation. However, the empirical tuning of large number of parameters reduces the robustness of building extraction methods. This paper proposes a novel Gradient-based Building Extraction (GBE) method to address these limitations. The proposed method transforms the Light Detection And Ranging (LiDAR) height information into intensity image without interpolation of point heights and then analyses the gradient information in the image. Generally, building roof planes have a constant height change along the slope of a roof plane whereas trees have a random height change. With such an analysis, buildings of a greater range of sizes with a transparent or opaque roof can be extracted. In addition, a local colour matching approach is introduced as a post-processing stage to eliminate trees. This stage of our proposed method does not require any manual setting and all parameters are set automatically from the data. The other post processing stages including variance, point density and shadow elimination are also applied to verify the extracted buildings, where comparatively fewer empirically set parameters are used. The performance of the proposed GBE method is evaluated on two benchmark data sets by using the object and pixel based metrics (completeness, correctness and quality). Our experimental results show the effectiveness of the proposed method in eliminating trees, extracting buildings of all sizes, and extracting buildings with and without transparent roof. When compared with current state-of-the-art building
A Robust Gradient Based Method for Building Extraction from LiDAR and Photogrammetric Imagery.
Siddiqui, Fasahat Ullah; Teng, Shyh Wei; Awrangjeb, Mohammad; Lu, Guojun
2016-01-01
Existing automatic building extraction methods are not effective in extracting buildings which are small in size and have transparent roofs. The application of large area threshold prohibits detection of small buildings and the use of ground points in generating the building mask prevents detection of transparent buildings. In addition, the existing methods use numerous parameters to extract buildings in complex environments, e.g., hilly area and high vegetation. However, the empirical tuning of large number of parameters reduces the robustness of building extraction methods. This paper proposes a novel Gradient-based Building Extraction (GBE) method to address these limitations. The proposed method transforms the Light Detection And Ranging (LiDAR) height information into intensity image without interpolation of point heights and then analyses the gradient information in the image. Generally, building roof planes have a constant height change along the slope of a roof plane whereas trees have a random height change. With such an analysis, buildings of a greater range of sizes with a transparent or opaque roof can be extracted. In addition, a local colour matching approach is introduced as a post-processing stage to eliminate trees. This stage of our proposed method does not require any manual setting and all parameters are set automatically from the data. The other post processing stages including variance, point density and shadow elimination are also applied to verify the extracted buildings, where comparatively fewer empirically set parameters are used. The performance of the proposed GBE method is evaluated on two benchmark data sets by using the object and pixel based metrics (completeness, correctness and quality). Our experimental results show the effectiveness of the proposed method in eliminating trees, extracting buildings of all sizes, and extracting buildings with and without transparent roof. When compared with current state-of-the-art building
Ammann, Adrian A; Suter, Marc J-F
2016-07-22
Metabolomics or environmental investigations generate samples containing very large numbers of small molecular weight analytes. A single mode chromatographic separation excludes a substantial part of such complex analyte mixtures. For instance, a reversed-phase separation would not retain ionic species, resulting in a correspondingly huge front peak. To address this problem, we used two commercially available mixed-mode ion-exchange reversed-phase columns (WAX-1 and WCX-1) in sequence in a novel multimode separation method. After trapping hydrophobics on a C18-trap in loop position, hydrophilics passing the trap are separated by a simultaneous gradient for HILIC, anion and cation exchange chromatography. This gradient ends in a washout phase with a high percentage of water, the correct starting conditions for a reversed-phase gradient eluting hydrophobics from the trap in a second step of the run. Amino acids (9), organic acids (2), sugars (8), fatty acid derived compounds (11), antioxidants (4), miscellanea (6) and xenobiotics (4) were analyzed. Compounds were separated after a single sample injection during a 50min run. Lipids derived small fatty acids up to a chain length of 12 carbons were also accessible within this run time. PMID:27324626
Gradient-Based Aerodynamic Shape Optimization Using ADI Method for Large-Scale Problems
NASA Technical Reports Server (NTRS)
Pandya, Mohagna J.; Baysal, Oktay
1997-01-01
A gradient-based shape optimization methodology, that is intended for practical three-dimensional aerodynamic applications, has been developed. It is based on the quasi-analytical sensitivities. The flow analysis is rendered by a fully implicit, finite volume formulation of the Euler equations.The aerodynamic sensitivity equation is solved using the alternating-direction-implicit (ADI) algorithm for memory efficiency. A flexible wing geometry model, that is based on surface parameterization and platform schedules, is utilized. The present methodology and its components have been tested via several comparisons. Initially, the flow analysis for for a wing is compared with those obtained using an unfactored, preconditioned conjugate gradient approach (PCG), and an extensively validated CFD code. Then, the sensitivities computed with the present method have been compared with those obtained using the finite-difference and the PCG approaches. Effects of grid refinement and convergence tolerance on the analysis and shape optimization have been explored. Finally the new procedure has been demonstrated in the design of a cranked arrow wing at Mach 2.4. Despite the expected increase in the computational time, the results indicate that shape optimization, which require large numbers of grid points can be resolved with a gradient-based approach.
Distortion Correction in EPI Using an Extended PSF Method with a Reversed Phase Gradient Approach
In, Myung-Ho; Posnansky, Oleg; Beall, Erik B.; Lowe, Mark J.; Speck, Oliver
2015-01-01
In echo-planar imaging (EPI), such as commonly used for functional MRI (fMRI) and diffusion-tensor imaging (DTI), compressed distortion is a more difficult challenge than local stretching as spatial information can be lost in strongly compressed areas. In addition, the effects are more severe at ultra-high field (UHF) such as 7T due to increased field inhomogeneity. To resolve this problem, two EPIs with opposite phase-encoding (PE) polarity were acquired and combined after distortion correction. For distortion correction, a point spread function (PSF) mapping method was chosen due to its high correction accuracy and extended to perform distortion correction of both EPIs with opposite PE polarity thus reducing the PSF reference scan time. Because the amount of spatial information differs between the opposite PE datasets, the method was further extended to incorporate a weighted combination of the two distortion-corrected images to maximize the spatial information content of a final corrected image. The correction accuracy of the proposed method was evaluated in distortion-corrected data using both forward and reverse phase-encoded PSF reference data and compared with the reversed gradient approaches suggested previously. Further we demonstrate that the extended PSF method with an improved weighted combination can recover local distortions and spatial information loss and be applied successfully not only to spin-echo EPI, but also to gradient-echo EPIs acquired with both PE directions to perform geometrically accurate image reconstruction. PMID:25707006
NASA Astrophysics Data System (ADS)
Ramlau, R.; Saxenhuber, D.; Yudytskiy, M.
2014-07-01
The problem of atmospheric tomography arises in ground-based telescope imaging with adaptive optics (AO), where one aims to compensate in real-time for the rapidly changing optical distortions in the atmosphere. Many of these systems depend on a sufficient reconstruction of the turbulence profiles in order to obtain a good correction. Due to steadily growing telescope sizes, there is a strong increase in the computational load for atmospheric reconstruction with current methods, first and foremost the MVM. In this paper we present and compare three novel iterative reconstruction methods. The first iterative approach is the Finite Element- Wavelet Hybrid Algorithm (FEWHA), which combines wavelet-based techniques and conjugate gradient schemes to efficiently and accurately tackle the problem of atmospheric reconstruction. The method is extremely fast, highly flexible and yields superior quality. Another novel iterative reconstruction algorithm is the three step approach which decouples the problem in the reconstruction of the incoming wavefronts, the reconstruction of the turbulent layers (atmospheric tomography) and the computation of the best mirror correction (fitting step). For the atmospheric tomography problem within the three step approach, the Kaczmarz algorithm and the Gradient-based method have been developed. We present a detailed comparison of our reconstructors both in terms of quality and speed performance in the context of a Multi-Object Adaptive Optics (MOAO) system for the E-ELT setting on OCTOPUS, the ESO end-to-end simulation tool.
Estimating Effective Vertical Diffusivity in Shallow Ponds by a Constrained Flux-Gradient Method
NASA Astrophysics Data System (ADS)
Bean, J. R.; Torgersen, T.
2004-12-01
Shallow ponds have been used to mitigate the deleterious effects of storm water run-off by acting as detention/retention basins that sequester run-off associated pollutants in sediments. Studies show that the retention efficiency of these systems can decrease over time as a result of the internal loading of nutrients/contaminants from the sediments back to the water column where they are available for export downstream. Quantifying the vertical transport of gases (down) and sediment derived materials (up) is vital to the modeling and understanding of the processes that contribute to the magnitude of internal loading. A critical parameter is the effective vertical diffusion coefficient: Kz=Dmolecular +Deddy (cm2 sec-1). The flux gradient method for estimating effective vertical thermal diffusivity has been applied with success in large lakes which undergo stratification cycles on seasonal or longer time scales. We offer a constrained version of the flux-gradient method that has been adapted for use in a shallow pond with a daily stratification cycle. The method employs heat as a tracer and assumes that transport in the face of a stable gradient is diffusive. By shrinking the spatial and temporal resolution of measurement to scales appropriate to the system of interest and carefully accounting for internal source and sink terms of heat (e.g solar radiation and sediment heat fluxes) we are able to calculate Kz as a function of time and depth during periods of stable stratification, i.e when the pond is not vertically well-mixed. Results show the magnitude of Kz varies from ca. 10-3 to 10-1 (cm2 sec-1) under stratified conditions depending primarily on the strength of stratification.
NASA Astrophysics Data System (ADS)
Andrei, Petru; Oniciuc, Liviu; Stancu, Alexandru; Stoleriu, Laurentiu
2007-09-01
An identification technique for the parameters of phenomenological models of hysteresis is presented. The basic idea of our technique is to set up a system of equations for the parameters of the model as a function of known quantities on the major or minor hysteresis loops (e.g. coercive force, susceptibilities at various points, remanence), or other magnetization curves. This system of equations can be either over or underspecified and is solved by using the conjugate gradient method. Numerical results related to the identification of parameters in the Energetic, Jiles-Atherton, and Preisach models are presented.
A Single-Lap Joint Adhesive Bonding Optimization Method Using Gradient and Genetic Algorithms
NASA Technical Reports Server (NTRS)
Smeltzer, Stanley S., III; Finckenor, Jeffrey L.
1999-01-01
A natural process for any engineer, scientist, educator, etc. is to seek the most efficient method for accomplishing a given task. In the case of structural design, an area that has a significant impact on the structural efficiency is joint design. Unless the structure is machined from a solid block of material, the individual components which compose the overall structure must be joined together. The method for joining a structure varies depending on the applied loads, material, assembly and disassembly requirements, service life, environment, etc. Using both metallic and fiber reinforced plastic materials limits the user to two methods or a combination of these methods for joining the components into one structure. The first is mechanical fastening and the second is adhesive bonding. Mechanical fastening is by far the most popular joining technique; however, in terms of structural efficiency, adhesive bonding provides a superior joint since the load is distributed uniformly across the joint. The purpose of this paper is to develop a method for optimizing single-lap joint adhesive bonded structures using both gradient and genetic algorithms and comparing the solution process for each method. The goal of the single-lap joint optimization is to find the most efficient structure that meets the imposed requirements while still remaining as lightweight, economical, and reliable as possible. For the single-lap joint, an optimum joint is determined by minimizing the weight of the overall joint based on constraints from adhesive strengths as well as empirically derived rules. The analytical solution of the sin-le-lap joint is determined using the classical Goland-Reissner technique for case 2 type adhesive joints. Joint weight minimization is achieved using a commercially available routine, Design Optimization Tool (DOT), for the gradient solution while an author developed method is used for the genetic algorithm solution. Results illustrate the critical design variables
Gradient ROtating Outer Volume Excitation (GROOVE): A Novel Method for Single-Shot 2-D OVS
Powell, Nathaniel J.; Jang, Albert; Park, Jang-Yeon; Valette, Julien; Garwood, Michael; Marjańska, Małgorzata
2014-01-01
Purpose A new outer volume suppression (OVS) technique is introduced that uses a single pulse and rotating gradients to accomplish frequency-swept excitation. This new technique, which is called Gradient ROtating Outer Volume Excitation (GROOVE), produces a circular or elliptical suppression band rather than suppressing the entire outer volume. Methods Theoretical and k-space descriptions of GROOVE are provided. The properties of GROOVE were investigated with simulations, phantom, and human experiments performed using a 4 T horizontal bore magnet equipped with a TEM coil. Results Similar suppression performance was obtained in phantom and human brain using GROOVE with circular and elliptical shapes. Simulations indicate that GROOVE requires less SAR and time than traditional OVS schemes, but traditional schemes provide a sharper transition zone and less residual signal. Conclusion GROOVE represents a new way of performing OVS in which spins are excited temporally in space on a trajectory which can be tailored to fit the shape of the suppression region. In addition, GROOVE is capable of suppressing tailored regions of space with more flexibility and in a shorter period of time than conventional methods. GROOVE provides a fast, low SAR alternative to conventional OVS methods in some applications (e.g., scalp suppression). PMID:24478130
Real Space DFT by Locally Optimal Block Preconditioned Conjugate Gradient Method
NASA Astrophysics Data System (ADS)
Michaud, Vincent; Guo, Hong
2012-02-01
Real space approaches solve the Kohn-Sham (KS) DFT problem as a system of partial differential equations (PDE) in real space numerical grids. In such techniques, the Hamiltonian matrix is typically much larger but sparser than the matrix arising in state-of-the-art DFT codes which are often based on directly minimizing the total energy functional. Evidence of good performance of real space methods - by Chebyshev filtered subspace iteration (CFSI) - was reported by Zhou, Saad, Tiago and Chelikowsky [1]. We found that the performance of the locally optimal block preconditioned conjugate gradient method (LOGPCG) introduced by Knyazev [2], when used in conjunction with CFSI, generally exceeds that of CFSI for solving the KS equations. We will present our implementation of the LOGPCG based real space electronic structure calculator. [4pt] [1] Y. Zhou, Y. Saad, M. L. Tiago, and J. R. Chelikowsky, ``Self-consistent-field calculations using Chebyshev-filtered subspace iteration,'' J. Comput. Phys., vol. 219,pp. 172-184, November 2006. [0pt] [2] A. V. Knyazev, ``Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method,'' SIAM J. Sci. Comput, vol. 23, pp. 517-541, 2001.
Gradient and curvature from the photometric-stereo method, including local confidence estimation
Woodham, R.J.
1994-11-01
The photometric-stereo method is one technique for three-dimensional shape determination that has been implemented in a variety of experimental settings and that has produced consistently good results. The idea is to use intensity values recorded from multiple images obtained from the same viewpoint but under different conditions of illumination. The resulting radiometric constraint makes it possible to obtain local estimates of both surface orientation and surface curvature without requiring either global smoothness assumptions or prior image segmentation. Photometric stereo is moved one step closer to practical possibility by a description of an experimental setting in which surface gradient estimation is achieved on full-frame video data at near-video-frame rates (i.e., 15 Hz). The implementation uses commercially available hardware. Reflectance is modeled empirically with measurements obtained from a calibration sphere. Estimation of the gradient ({ital p},{ital q}) requires only simple table lookup. Curvature estimation additionally uses the reflectance map {ital R}({ital p},{ital q}). The required lookup table and reflectance maps are derived during calibration. Because reflectance is modeled empirically, no prior physical model of the reflectance characteristics of the objects to be analyzed is assumed. At the same time, if a good physical model is available, it can be retrofitted to the method for implementation purposes. Photometric stereo is subject to error in the presence of cast shadows and interreflection. No purely local technique can succeed because these phenomena are inherently nonlocal. Nevertheless, it is demonstrated that one can exploit the redundancy in three-light-source photometric stereo to detect locally, in most cases, the presence of cast shadows and interreflection. Detection is facilitated by the explicit inclusion of a local confidence estimate in the lookup table used for gradient estimation.
Bakosi, Jozsef; Ristorcelli, Raymond J
2010-01-01
Probability density function (PDF) methods are extended to variable-density pressure-gradient-driven turbulence. We apply the new method to compute the joint PDF of density and velocity in a non-premixed binary mixture of different-density molecularly mixing fluids under gravity. The full time-evolution of the joint PDF is captured in the highly non-equilibrium flow: starting from a quiescent state, transitioning to fully developed turbulence and finally dissipated by molecular diffusion. High-Atwood-number effects (as distinguished from the Boussinesq case) are accounted for: both hydrodynamic turbulence and material mixing are treated at arbitrary density ratios, with the specific volume, mass flux and all their correlations in closed form. An extension of the generalized Langevin model, originally developed for the Lagrangian fluid particle velocity in constant-density shear-driven turbulence, is constructed for variable-density pressure-gradient-driven flows. The persistent small-scale anisotropy, a fundamentally 'non-Kolmogorovian' feature of flows under external acceleration forces, is captured by a tensorial diffusion term based on the external body force. The material mixing model for the fluid density, an active scalar, is developed based on the beta distribution. The beta-PDF is shown to be capable of capturing the mixing asymmetry and that it can accurately represent the density through transition, in fully developed turbulence and in the decay process. The joint model for hydrodynamics and active material mixing yields a time-accurate evolution of the turbulent kinetic energy and Reynolds stress anisotropy without resorting to gradient diffusion hypotheses, and represents the mixing state by the density PDF itself, eliminating the need for dubious mixing measures. Direct numerical simulations of the homogeneous Rayleigh-Taylor instability are used for model validation.
A conjugate gradient method for solving the non-LTE line radiation transfer problem
NASA Astrophysics Data System (ADS)
Paletou, F.; Anterrieu, E.
2009-12-01
This study concerns the fast and accurate solution of the line radiation transfer problem, under non-LTE conditions. We propose and evaluate an alternative iterative scheme to the classical ALI-Jacobi method, and to the more recently proposed Gauss-Seidel and successive over-relaxation (GS/SOR) schemes. Our study is indeed based on applying a preconditioned bi-conjugate gradient method (BiCG-P). Standard tests, in 1D plane parallel geometry and in the frame of the two-level atom model with monochromatic scattering are discussed. Rates of convergence between the previously mentioned iterative schemes are compared, as are their respective timing properties. The smoothing capability of the BiCG-P method is also demonstrated.
Randomized gradient-free method for multiagent optimization over time-varying networks.
Yuan, Deming; Ho, Daniel W C
2015-06-01
In this brief, we consider the multiagent optimization over a network where multiple agents try to minimize a sum of nonsmooth but Lipschitz continuous functions, subject to a convex state constraint set. The underlying network topology is modeled as time varying. We propose a randomized derivative-free method, where in each update, the random gradient-free oracles are utilized instead of the subgradients (SGs). In contrast to the existing work, we do not require that agents are able to compute the SGs of their objective functions. We establish the convergence of the method to an approximate solution of the multiagent optimization problem within the error level depending on the smoothing parameter and the Lipschitz constant of each agent's objective function. Finally, a numerical example is provided to demonstrate the effectiveness of the method. PMID:25099738
Comparisons and Limitations of Gradient Augmented Level Set and Algebraic Volume of Fluid Methods
NASA Astrophysics Data System (ADS)
Anumolu, Lakshman; Ryddner, Douglas; Trujillo, Mario
2014-11-01
Recent numerical methods for implicit interface transport are generally presented as enjoying higher order of spatial-temporal convergence when compared to classical methods or less sophisticated approaches. However, when applied to test cases, which are designed to simulate practical industrial conditions, significant reduction in convergence is observed in higher-order methods, whereas for the less sophisticated approaches same convergence is achieved but a growth in the error norms occurs. This provides an opportunity to understand the underlying issues which causes this decrease in accuracy in both types of methods. As an example we consider the Gradient Augmented Level Set method (GALS) and a variant of the Volume of Fluid (VoF) method in our study. Results show that while both methods do suffer from a loss of accuracy, it is the higher order method that suffers more. The implication is a significant reduction in the performance advantage of the GALS method over the VoF scheme. Reasons for this lie in the behavior of the higher order derivatives, particular in situations where the level set field is highly distorted. For the VoF approach, serious spurious deformations of the interface are observed, albeit with a deceptive zero loss of mass.
Application of the split-gradient method to 3D image deconvolution in fluorescence microscopy.
Vicidomini, G; Boccacci, P; Diaspro, A; Bertero, M
2009-04-01
The methods of image deconvolution are important for improving the quality of the detected images in the different modalities of fluorescence microscopy such as wide-field, confocal, two-photon excitation and 4Pi. Because deconvolution is an ill-posed problem, it is, in general, reformulated in a statistical framework such as maximum likelihood or Bayes and reduced to the minimization of a suitable functional, more precisely, to a constrained minimization, because non-negativity of the solution is an important requirement. Next, iterative methods are designed for approximating such a solution. In this paper, we consider the Bayesian approach based on the assumption that the noise is dominated by photon counting, so the likelihood is of the Poisson-type, and that the prior is edge-preserving, as derived from a simple Markov random field model. By considering the negative logarithm of the a posteriori probability distribution, the computation of the maximum a posteriori (MAP) estimate is reduced to the constrained minimization of a functional that is the sum of the Csiszár I-divergence and a regularization term. For the solution of this problem, we propose an iterative algorithm derived from a general approach known as split-gradient method (SGM) and based on a suitable decomposition of the gradient of the functional into a negative and positive part. The result is a simple modification of the standard Richardson-Lucy algorithm, very easily implementable and assuring automatically the non-negativity of the iterates. Next, we apply this method to the particular case of confocal microscopy for investigating the effect of several edge-preserving priors proposed in the literature using both synthetic and real confocal images. The quality of the restoration is estimated both by computation of the Kullback-Leibler divergence of the restored image from the detected one and by visual inspection. It is observed that the noise artefacts are considerably reduced and desired
NASA Astrophysics Data System (ADS)
Shu, Yu-Chen; Chern, I.-Liang; Chang, Chien C.
2014-10-01
Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule (1D63) which is double-helix shape and composed of hundreds of atoms.
Shu, Yu-Chen; Chern, I-Liang; Chang, Chien C.
2014-10-15
Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.
Nanjegowda, Shankara H; Papanna, Manasa G; Achar, Raghu Ram; Rangappa, Kanchugarakoppal S; Mallu, Puttaswamappa; Swamy, Shivananju Nanjunda
2016-05-01
A new simple, rapid and precise RP-HPLC method was developed for the extraction and quantitative estimation of caffeine (C), (-)-epigallocatechin gallate (EGCG), (+)-catechin(Ct), (-)-epicatechin(EC), and (-)-epicatechin gallate (ECG) (collectively named as Tea Powder Bioactives TPBAs) extracted from tea powder using different ratios of ethanol: water. The simultaneous determination of TPBAs was performed using the UV spectrophotometric method which employs the absorbance at 205 nm (λmax of caffeine and polyphenols). This method is a gradient based HPLC method with a flow rate of 0.8 mL/min using Inertsil ODS 100 × 4.6 mm, 3 μm column with methanol and ammonium dihydrogen phosphate (pH-2.8) as mobile phase. The method was validated in terms of specificity, precision, linearity, accuracy, limit of quantification (LOQ), and limit of detection (LOD). The linearity of the proposed method was investigated for concentration ranging between 0.5-60 μg/mL with regression co-efficient, R(2) = 0.999-1.0. This method estimates all the TPBAs simultaneously with enhanced precision and linearity as per the ICH guidelines. Also, to confirm the individual TPBA, the antioxidant property of the each TPBA was analyzed which was commensurate with that of the previous reports. PMID:27407191
Demonstrating the Temperature Gradient Impact on Grain Growth in UO2 Using the Phase Field Method
Michael R Tonks; Yongfeng Zhang; Xianming Bai; Paul C Millett
2014-01-01
Grain boundaries (GBs) are driven to migrate up a temperature gradient. In this work, we use a phase field (PF) model to investigate the impact of temperature gradients on normal grain growth. GB motion in 2D UO2 polycrystals is predicted under increasing temperature gradients. We find that the temperature gradient does not significantly impact the average grain growth behavior, because the curvature driving force is dominant. However, it does cause significant local migration of the individual grains. In addition, the change in the GB mobility due to the temperature gradient results in larger grains in the hot portion of the polycrystal.
NASA Astrophysics Data System (ADS)
Park, J.-H.; Fares, S.; Weber, R.; Goldstein, A. H.
2012-09-01
The Biosphere Effects on AeRosols and Photochemistry EXperiment (BEARPEX) took place in Blodgett Forest, a Ponderosa pine forest in the Sierra Nevada Mountains of California, during summer 2009. We deployed a Proton Transfer Reaction - Mass Spectrometer (PTR-MS) to measure fluxes and concentrations of biogenic volatile organic compounds (BVOCs). Eighteen ion species including the major BVOC expected at the site were measured sequentially at 5 heights to observe their vertical gradient from the forest floor to above the canopy. Fluxes of the 3 dominant BVOCs methanol, 2-Methyl-3-butene-2-ol (MBO), and monoterpenes, were measured above the canopy by the eddy covariance method. Canopy scale fluxes were also determined by the flux-gradient similarity method (K-theory). A universal K (Kuniv) was determined as the mean of individual K's calculated from the measured fluxes divided by vertical gradients for methanol, MBO, and monoterpenes. This Kuniv was then multiplied by the gradients of each observed ion species to compute their fluxes. The flux-gradient similarity method showed very good agreement with the Eddy Covariance method. Fluxes are presented for all measured species and compared to historical measurements from the same site, and used to test emission algorithms used to model fluxes at the regional scale. MBO was the dominant emission observed followed by methanol, monoterpenes, acetone, and acetaldehyde. The flux-gradient similarity method is shown to be a useful, and we recommend its use especially in experimental conditions when fast measurement of BVOC species is not available.
NASA Astrophysics Data System (ADS)
Casotto, S.; Fantino, E.
This work is concerned with the comparison of four of the best-known methods for the computation of the gravitational potential and its gradients: the traditional formulation in terms of Associated Legendre Functions in spherical coordinates; the non-singular method of Pines; the algorithm developed by Cunningham and extended by Metris and collaborators; and a variant of the first method based on the Clenshaw summation formula. Extensive numerical tests in double and quadruple floating point precision have been performed in order to assess and compare the efficiency and precision of these algorithms. Results show that when properly optimized the algorithm of Clenshaw is the most efficient, closely followed by the traditional Legendre formulation. All four methods are characterized by a high level of precision, although care should be taken when approaching the geographic poles due to the singularities which affect the methods of Legendre and Clenshaw. The methods of Cunningham-Metris and Pines are both characterized by some loss of relative precision at the equator, which is inherent in the choice of the coordinate system.
NASA Astrophysics Data System (ADS)
Furusawa, Masahiro; Ikeya, Motoji
1991-09-01
A new method for generating a highly linear field gradient in a large space is described. The coil system consists of N equispaced parallel current lines placed on a cylinder perpendicular to the static magnetic field. The wires generate a gradient of any accuracy depending on N and in any direction in a plane perpendicular to the cylinder axis by controlling the current of each wire independently. The accuracy of the gradient using 16 infinite-length wires is less than 0.3% in the 60% region in diameter of the cylinder. An ESR-CT image of a DPPH test sample was obtained using this system of 16 wires.
A modified conjugate gradient method based on the Tikhonov system for computerized tomography (CT).
Wang, Qi; Wang, Huaxiang
2011-04-01
During the past few decades, computerized tomography (CT) was widely used for non-destructive testing (NDT) and non-destructive examination (NDE) in the industrial area because of its characteristics of non-invasiveness and visibility. Recently, CT technology has been applied to multi-phase flow measurement. Using the principle of radiation attenuation measurements along different directions through the investigated object with a special reconstruction algorithm, cross-sectional information of the scanned object can be worked out. It is a typical inverse problem and has always been a challenge for its nonlinearity and ill-conditions. The Tikhonov regulation method is widely used for similar ill-posed problems. However, the conventional Tikhonov method does not provide reconstructions with qualities good enough, the relative errors between the reconstructed images and the real distribution should be further reduced. In this paper, a modified conjugate gradient (CG) method is applied to a Tikhonov system (MCGT method) for reconstructing CT images. The computational load is dominated by the number of independent measurements m, and a preconditioner is imported to lower the condition number of the Tikhonov system. Both simulation and experiment results indicate that the proposed method can reduce the computational time and improve the quality of image reconstruction. PMID:21129739
Flow instability of a centrifugal pump determined using the energy gradient method
NASA Astrophysics Data System (ADS)
Li, Yi; Dong, Wenlong; He, Zhaohui; Huang, Yuanmin; Jiang, Xiaojun
2015-02-01
The stability of the centrifugal pump has not been well revealed because of the complexity of internal flow. To analyze the flow characteristics of a centrifugal pump operating at low capacity, methods of numerical simulation and experimental research were adopted in this paper. Characteristics of the inner flow were obtained. Standard k-ɛ turbulence models were used to calculate the inner flow of the pump under off-design conditions. The distribution of the energy gradient function K was obtained by three-dimensional numerical simulation at different flow rates. The relative velocity component was acquired from the absolute velocity obtained in particle image velocimetry. By comparing with experimental results, it was found that flow instability occurs at the position of maximum K. The flow stability reduces with an increasing flow rate. The research results provide a theoretical basis for the optimization design of a centrifugal pump.
Yeung, E.S.; Chen, G.
1990-05-01
A method and means are disclosed for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived. 15 figs.
Yeung, Edward S.; Chen, Guoying
1990-05-01
A method and means for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived.
Hydrogel-based methods for engineering cellular microenvironment with spatiotemporal gradients.
Wang, Lin; Li, Yuhui; Huang, Guoyou; Zhang, Xiaohui; Pingguan-Murphy, Belinda; Gao, Bin; Lu, Tian Jian; Xu, Feng
2016-06-01
Natural cellular microenvironment consists of spatiotemporal gradients of multiple physical (e.g. extracellular matrix stiffness, porosity and stress/strain) and chemical cues (e.g. morphogens), which play important roles in regulating cell behaviors including spreading, proliferation, migration, differentiation and apoptosis, especially for pathological processes such as tumor formation and progression. Therefore, it is essential to engineer cellular gradient microenvironment incorporating various gradients for the fabrication of normal and pathological tissue models in vitro. In this article, we firstly review the development of engineering cellular physical and chemical gradients with cytocompatible hydrogels in both two-dimension and three-dimension formats. We then present current advances in the application of engineered gradient microenvironments for the fabrication of disease models in vitro. Finally, concluding remarks and future perspectives for engineering cellular gradients are given. PMID:25641330
Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient.
Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; Solonenko, Sergei A; Rich, Virginia I; Sullivan, Matthew B
2016-01-01
Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types of high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g(-1) of soil than other methods tested. All method combinations yielded VLPs g(-1) of soil on the 10(8) order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g(-1) of soil among the soil types. This research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies. PMID:27231649
Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient
Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; Solonenko, Sergei A.
2016-01-01
Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types of high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g−1 of soil than other methods tested. All method combinations yielded VLPs g−1 of soil on the 108 order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g−1 of soil among the soil types. This research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies. PMID:27231649
Depth Estimation Method Based on the Ratio of Gravity and Full Tensor Gradient Invariant
NASA Astrophysics Data System (ADS)
Zhou, Wenna
2016-02-01
In this paper, I present a new depth estimation method based on the ratio of gravity and full tensor gradient invariant. The new approach is designed to be stably and quickly interpret the gravity data and full tensor gravity data. First, we deduce two simple calculation equations using the particular models (sphere and horizontal cylinder model). The depths of the particular sources can be directly calculated using the simple equations. However, a shape factor similar to the structural index of Euler deconvolution is contained in the simple calculation equations. It directly relates to the accuracy of calculation depth. To calculate the depth of source accurately, the shape factor must be determined first. Thus, the application of the simple equations is very circumscribed. To overcome the limitation, I calculate the ratio of the simple equations of different altitudes to improve the original algorithm. It effectively eliminates the influence of the shape factor. I use different model to test the method and apply the method on real gravity data. It demonstrates that the new approach is stable, simple and effective depth estimation method. The new improved approach not only can be used to calculate the sphere and cylinder model depth, but also can be used to calculate other general models. It is a very useful tool to calculate the depth of gravity bodies.
A Novel Ultrasonic Method for Characterizing Microstructural Gradients in Tubular Structures
NASA Technical Reports Server (NTRS)
Roth, Don J.; Carney, Dorothy V.; Baaklini, George Y.; Bodis, James R.; Rauser, Richard W.
1998-01-01
Ultrasonic velocity and time-of-flight (TOF) imaging that uses back surface reflections to gage volumetric material quality is highly suited for quantitative characterization of microstructural gradients including those due to pore fraction, density, fiber fraction, and chemical composition variations. However, a weakness of conventional pulse echo ultrasonic velocity and TOF imaging is that the image shows the effects of thickness as well as microstructural variations, unless the part is uniformly thick. This limits this imaging method's usefulness in practical applications. Prior studies have described a pulse echo TOF based ultrasonic imaging method that requires using a single transducer in combination with a reflector plate placed behind samples which, eliminates the effect of thickness variation in the image. In those studies, this method was successful at isolating ultrasonic variations due to material in plate like samples of silicon nitride, metal matrix composite, and polymer matrix composite. In this study, the method is engineered for inspection of more complex shaped structures- those having (hollow) tubular or curved geometry. The experimental inspection technique and results are described as applied to a polymer matrix composite "proof of concept" tube that contains machined patches of various depths and an as manufactured monolithic silicon nitride ceramic tube that might be used in "real world" applications.
Direct measurement of sub-surface mass change using the variable-baseline gravity gradient method
Kennedy, Jeffrey; Ferré, Ty P. A.; Güntner, Andreas; Abe, Maiko; Creutzfeldt, Benjamin
2014-01-01
Time-lapse gravity data provide a direct, non-destructive method to monitor mass changes at scales from cm to km. But, the effectively infinite spatial sensitivity of gravity measurements can make it difficult to isolate the signal of interest. The variable-baseline gravity gradient method, based on the difference of measurements between two gravimeters, is an alternative to the conventional approach of individually modeling all sources of mass and elevation change. This approach can improve the signal-to-noise ratio for many applications by removing the contributions of Earth tides, loading, and other signals that have the same effect on both gravimeters. At the same time, this approach can focus the support volume within a relatively small user-defined region of the subsurface. The method is demonstrated using paired superconducting gravimeters to make for the first time a large-scale, non-invasive measurement of infiltration wetting front velocity and change in water content above the wetting front.
Gradient-augmented hybrid interface capturing method for incompressible two-phase flow
NASA Astrophysics Data System (ADS)
Zheng, Fu; Shi-Yu, Wu; Kai-Xin, Liu
2016-06-01
Motivated by inconveniences of present hybrid methods, a gradient-augmented hybrid interface capturing method (GAHM) is presented for incompressible two-phase flow. A front tracking method (FTM) is used as the skeleton of the GAHM for low mass loss and resources. Smooth eulerian level set values are calculated from the FTM interface, and are used for a local interface reconstruction. The reconstruction avoids marker particle redistribution and enables an automatic treatment of interfacial topology change. The cubic Hermit interpolation is employed in all steps of the GAHM to capture subgrid structures within a single spacial cell. The performance of the GAHM is carefully evaluated in a benchmark test. Results show significant improvements of mass loss, clear subgrid structures, highly accurate derivatives (normals and curvatures) and low cost. The GAHM is further coupled with an incompressible multiphase flow solver, Super CE/SE, for more complex and practical applications. The updated solver is evaluated through comparison with an early droplet research. Project supported by the National Natural Science Foundation of China (Grant Nos. 10972010, 11028206, 11371069, 11372052, 11402029, and 11472060), the Science and Technology Development Foundation of China Academy of Engineering Physics (CAEP), China (Grant No. 2014B0201030), and the Defense Industrial Technology Development Program of China (Grant No. B1520132012).
Highly durable superhydrophobic coatings with gradient density by movable spray method
NASA Astrophysics Data System (ADS)
Tenjimbayashi, Mizuki; Shiratori, Seimei
2014-09-01
Superhydrophobic surface is expected to be applied in anti-fouling, anti-icing, and anti-bacterial. However, practical use is interrupted by low mechanical strength, time-consuming process, and limited coating substrate. Here highly durable superhydrophobic coatings were prepared by simple and novel spraying method, which sprays with changing the "spray distance between substrate and spray" (SD), named "movable spray method." We prepared the solution that changes wettability and durability with spraying distance by mixing SiO2 nanoparticles and ethyl alpha cyanoacrylate polymer (EAC). Then, we evaluated the chemical components and surface morphologies of each spraying distance coatings (0 ˜ 50 cm) by XPS, SEM, and laser scanning microscope. It revealed that surface roughness and SiO2/EAC ratio increased as the SD increases. Thus, durable superhydrophobic coatings were designed by spraying with increasing SD gradually. Glow discharge-optical emission spectrometry analysis revealed that designed coatings showed the gradual increase of SiO2/EAC ratio. As a result, coatings prepared on glass, wood, or aluminum substrates maintained their superhydrophobicity up to the abrasion at 40 kPa. This movable spray method is simple coating by the wet process and prepares robust hydrophobic coating on complex shape and large area substrates. The gradient functional surface was found to have mechanical durability and superhydrophobicity, and wide area applications will be expected.
Joint image registration and fusion method with a gradient strength regularization
NASA Astrophysics Data System (ADS)
Lidong, Huang; Wei, Zhao; Jun, Wang
2015-05-01
Image registration is an essential process for image fusion, and fusion performance can be used to evaluate registration accuracy. We propose a maximum likelihood (ML) approach to joint image registration and fusion instead of treating them as two independent processes in the conventional way. To improve the visual quality of a fused image, a gradient strength (GS) regularization is introduced in the cost function of ML. The GS of the fused image is controllable by setting the target GS value in the regularization term. This is useful because a larger target GS brings a clearer fused image and a smaller target GS makes the fused image smoother and thus restrains noise. Hence, the subjective quality of the fused image can be improved whether the source images are polluted by noise or not. We can obtain the fused image and registration parameters successively by minimizing the cost function using an iterative optimization method. Experimental results show that our method is effective with transformation, rotation, and scale parameters in the range of [-2.0, 2.0] pixel, [-1.1 deg, 1.1 deg], and [0.95, 1.05], respectively, and variances of noise smaller than 300. It also demonstrated that our method yields a more visual pleasing fused image and higher registration accuracy compared with a state-of-the-art algorithm.
NASA Astrophysics Data System (ADS)
Kapitza, H.; Eppel, D.
1987-02-01
A conjugate gradient method for solving a 3-D Poisson equation in Cartesian unequally spaced coordinates is tested in concurrence to standard iterative methods. It is found that the tested algorithm is far superior to Red-Black-SOR with optimal parameter. In the conjugate gradient method no relaxation parameter is needed, and there are no restrictions on the number of gridpoints in the three directions. The iteration routine is vectorizable to a large extent by the compiler of a CYBER 205 without any special preparations. Utilizing some special features of vector computers it is completely vectorizable with only minor changes in the code.
Dong, Xuelin; Zhang, Changxing; Feng, Xue; Duan, Zhiyin
2016-06-10
The coherent gradient sensing (CGS) method, one kind of shear interferometry sensitive to surface slope, has been applied to full-field curvature measuring for decades. However, its accuracy, sensitivity, and resolution have not been studied clearly. In this paper, we analyze the accuracy, sensitivity, and resolution for the CGS method based on the derivation of its working principle. The results show that the sensitivity is related to the grating pitch and distance, and the accuracy and resolution are determined by the wavelength of the laser beam and the diameter of the reflected beam. The sensitivity is proportional to the ratio of grating distance to its pitch, while the accuracy will decline as this ratio increases. In addition, we demonstrate that using phase gratings as the shearing element can improve the interferogram and enhance accuracy, sensitivity, and resolution. The curvature of a spherical reflector is measured by CGS with Ronchi gratings and phase gratings under different experimental parameters to illustrate this analysis. All of the results are quite helpful for CGS applications. PMID:27409035
NASA Astrophysics Data System (ADS)
Zou, Wenli; Filatov, Michael; Cremer, Dieter
2015-06-01
The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg2 and Cn2, which are due to the admixture of more bonding character to the highest occupied spinors.
Zou, Wenli; Filatov, Michael; Cremer, Dieter
2015-06-07
The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg{sub 2} and Cn{sub 2}, which are due to the admixture of more bonding character to the highest occupied spinors.
Zou, Wenli; Filatov, Michael; Cremer, Dieter
2015-06-01
The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg2 and Cn2, which are due to the admixture of more bonding character to the highest occupied spinors. PMID:26049478
Bozkaya, Uğur; Sherrill, C David
2016-05-01
An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the "gradient terms": computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbital (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C10H22), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies. PMID:27155621
NASA Astrophysics Data System (ADS)
Bozkaya, Uǧur; Sherrill, C. David
2016-05-01
An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the "gradient terms": computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbital (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C10H22), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.
Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient
Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; Solonenko, Sergei A.; Rich, Virginia I.; Sullivan, Matthew B.
2016-05-17
Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types ofmore » high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g–1of soil than other methods tested. All method combinations yielded VLPs g–1of soil on the 108order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g–1of soil among the soil types. In conclusion, this research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies.« less
NASA Astrophysics Data System (ADS)
Park, J.-H.; Fares, S.; Weber, R.; Goldstein, A. H.
2014-01-01
The Biosphere Effects on AeRosols and Photochemistry EXperiment (BEARPEX) took place in Blodgett Forest, a Ponderosa pine forest in the Sierra Nevada of California, USA, during summer 2009. We deployed a proton transfer reaction-quadrupole mass spectrometer (PTR-QMS) to measure fluxes and concentrations of biogenic volatile organic compounds (BVOCs). Eighteen ion species, including the major BVOC expected at the site, were measured sequentially at 5 heights to observe their vertical gradient from the forest floor to above the canopy. Fluxes of the 3 dominant BVOCs methanol, 2-Methyl-3-butene-2-ol (MBO), and monoterpenes were measured above the canopy by the disjunct eddy covariance (EC) method. Canopy-scale fluxes were also determined by the flux-gradient similarity method (K-theory). A universal K (Kuniv) was determined as the mean of individual K's calculated from the measured fluxes divided by vertical gradients for methanol, MBO, and monoterpenes. This Kuniv was then multiplied by the gradients of each observed ion species to compute their fluxes. The flux-gradient similarity method showed very good agreement with the disjunct EC method. Fluxes are presented for all measured species and compared to historical measurements from the same site, and used to test emission algorithms used to model fluxes at the regional scale. MBO was the dominant emission observed, followed by methanol, monoterpenes, acetone, and acetaldehyde. The flux-gradient similarity method is shown to be tenable, and we recommend its use, especially in experimental conditions when fast measurement of BVOC species is not available.
Synthesis and crystal growth of Mg2Si by the liquid encapsulated vertical gradient freezing method
NASA Astrophysics Data System (ADS)
Nakagawa, Reo; Katsumata, Hiroshi; Hashimoto, Satoshi; Sakuragi, Shiro
2015-08-01
The synthesis of Mg2Si bulk crystals was performed by the vertical gradient freezing method using a KCl-MgCl2 eutectic liquid encapsulant. Stoichiometric polycrystalline Mg2Si bulk crystals were successfully grown by changing the composition ratio of starting Mg and Si powders (Mg/Si) from 2.0 to 3.5. A chemical reaction between Mg2Si and the crucible materials was inhibited using encapsulant materials, and the contamination by K or Cl originating from the encapsulant materials was not detected in almost all the samples. However, Mg evaporation could not be prevented completely during the synthesis and crystal growth. The optical band-gap energy of Mg2Si bulk crystals became minimal (0.79 eV) at a Mg/Si ratio of 2.5, at which the maximum electron mobility of 202 cm2·V-1·s-1 was obtained. These results indicate that the composition ratio of Mg/Si = 2.5 for starting Mg and Si powders was optimal for synthesizing Mg2Si bulk crystals with high crystalline quality.
Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116.
van Wüllen, Christoph; Langermann, Norbert
2007-03-21
The authors report the implementation of geometry gradients for quasirelativistic two-component Hartree-Fock and density functional methods using either the zero-order regular approximation Hamiltonian or spin-dependent effective core potentials. The computational effort of the resulting program is comparable to that of corresponding nonrelativistic calculations, as it is dominated by the evaluation of derivative two-electron integrals, which is the same for both types of calculations. Besides the implementation of derivatives of matrix elements of the one-particle Hamiltonian with respect to nuclear displacements, the calculation of the derivative exchange-correlation energy for the open shell case involves complicated expressions because of the noncollinear approach chosen to define the spin density. A pilot application to dihalogenides of element 116 shows how spin-orbit coupling strongly affects the chemistry of the superheavy p-block elements. While these molecules are bent at a scalar-relativistic level, spin-orbit coupling is so strong that only the 7p3/2 atomic orbitals of element 116 are involved in bonding, which favors linear molecular geometries for dihalogenides with heavy terminal halogen atoms. PMID:17381195
Development and application of a gradient method for solving differential games
NASA Technical Reports Server (NTRS)
Roberts, D. A.; Montgomery, R. C.
1971-01-01
A technique for solving n-dimensional games is developed and applied to two pursuit-evasion games. The first is a two-dimensional game similar to the homicidal chauffeur but modified to resemble an airplane-helicopter engagement. The second is a five-dimensional game of two airplanes at constant altitude and with thrust and turning controls. The performance function to be optimized by the pursuer and evader was the distance between the evader and a given target point in front of the pursuer. The analytic solution to the first game reveals that both unique and nonunique solutions exist. A comparison between the gradient results and the analytic solution shows a dependence on the nominal controls in regions where nonunique solutions exist. In the unique solution region, the results from the two methods agree closely. The results for the five-dimensional two-airplane game are also shown to be dependent on the nominal controls selected and indicate that initial conditions are in a region of nonunique solutions.
A Novel Method Of Gradient Forming and Fluid Manipulation in Reduced Gravity Environments
NASA Technical Reports Server (NTRS)
Ramachandran N.; Leslie, F.
1999-01-01
The use of magnetic fields to control the motion and position of non-conducting liquids has received growing interest in recent times. The possibility of using the forces exerted by a nonuniform magnetic field on a ferrofluid to not only achieve fluid manipulation but also to actively control fluid motion makes it an attractive candidate for applications such as heat transfer in space systems. Terrestrial heat transfer equipment often relies on the normal gravitational force to hold liquid in a desired position or to provide a buoyant force to enhance the heat transfer rate. The residual gravitational force present in a space environment may no longer serve these useful functions and other forces, such as surface tension, can play a significant role in determining heat transfer rates. Although typically overwhelmed by gravitational forces in terrestrial applications, the body force induced in a ferrofluid by a nonuniform magnetic field can help to achieve these objectives in a microgravity environment. This paper will address the fluid manipulation aspect and will comprise of results from model fluid experiments and numerical modeling of the problem. Results from a novel method of forming concentration gradients that are applicable to low gravity applications will be presented. The ground based experiments are specifically tailored to demonstrate the magnetic manipulation capability of a ferrofluid and show that gravitational effects can be countered in carefully designed systems. The development of governing equations for the system will be presented along with a sampling of numerical results.
Cho, Hansol; Son, Young Mok; Kim, Mu Gyeom; Ra, Byoung Joo; Park, Joon-Yong; Lee, Seung Hui; Choi, Jin Sung; Song, Min Young; Park, O Ok; Kim, Youn Cheol; Hwang, Jin Taek
2006-10-01
We report a fabrication method for a gradient refractive-index polymeric object from a binary comonomer system, regardless of the monomers' reactivity ratio and the molar volume criteria of gradient refractive-index development. To fabricate a large gradient refractive-index rod consisting of a methyl methacrylate and 2,2,3,3-tetrafluoropropyl methacrylate comonomer pair that has not been used for fabrication of a copolymer gradient refractive-index rod by previous conventional methods because of chemical restrictions in molar volume and reactivity ratio difference, we use the so-called successive UV polymerization in a controlled radial volume in conjunction with an automatic refill reactor. Simultaneously and automatically, the volume shrinkage problem, an inevitable shortcoming for the fabrication of a large polymeric object in a commercial production scale, is overcome and exploited. The theoretical features of the refractive-index profile generation of this method are also compared with those of conventional methods for which the chemical restrictions of monomers are crucial for the shape of a refractive-index profile. PMID:16983409
Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.
2015-08-06
This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performingmore » microcanonical excited state molecular dynamics with p-nitroaniline.« less
Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.
2015-08-06
This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline.
Preconditioned conjugate-gradient methods for low-speed flow calculations
NASA Technical Reports Server (NTRS)
Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing
1993-01-01
An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations is integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the Lower-Upper Successive Symmetric Over-Relaxation iterative scheme is more efficient than a preconditioner based on Incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional Line Gauss-Seidel Relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.
A spreadsheet method of estimating best-fit hydraulic gradients using head data from multiple wells.
Devlin, J F
2003-01-01
Hydraulic gradients from planar water tables, or piezometric surfaces, and horizontal flow regimes can be quickly and conveniently calculated from data sets involving numerous wells. The matrix-solving functions of a modem spreadsheet program (Excel) were used to determine the equation of a water-table plane, Ax + By + Cz - D = 0, and the equation coefficients were then used to determine the magnitude of the hydraulic gradient, according to gradient = square root of A2 + B2/C2, and its direction, according to alpha = arctan B/A, where alpha is the angle measured from the x-axis. A pre-prepared Excel file constructed to handle data from up to 20 wells at once is available for free downloading at www.geo.ku.edu/hydro/KUHydro.html. PMID:12772824
Kuo-Petravic, G.; Petravic, M.
1980-03-01
This paper is an extension of the previous paper, A Program Generator for the Incomplete LU-Decomposition-Conjugate Gradient (ILUCG) Method which appeared in Computer Physics Communications. In that paper a generator program was presented which produced a code package to solve the system of equations Ax/sub approx./ = b/sub approx./, where A is an arbitrary nonsingular matrix, by the ILUCG method. In the present paper an alternative generator program is offered which produces a code package applicable to the case where A is symmetric and positive definite. The numerical algorithm used is the Incomplete Cholesky Conjugate Gradient (ICCG) method of Meijerink and Van der Vorst, which executes approximately twice as fast per iteration as the ILUCG method. In addition, an optional preprocessor is provided to treat the case of a not diagonally dominant nonsymmetric and nonsingular matrix A by solving the equation A/sup T/Ax/sub approx./ = A/sup T/b/sub approx./.
NASA Astrophysics Data System (ADS)
Gould, Harvey; Maddi, Jason; Dinneen, Timothy
2000-06-01
Time-invariant electric field gradients have long been used to deflect beams of molecules and neutral atoms. However, time-varying electric field gradients can also be used to accelerate, slow [1,2], cool [2], or bunch these same beams. The possible applications include slowing and cooling thermal beams of molecules and atoms, launching cold atoms from a trap into a fountain, beam transport, and measuring atomic dipole polarizabilities. [1] H.L. Bethlem, G. Berden, and G Meijer, Phys. Rev. Lett. 83, 1588 (1999). [2] J. A. Maddi, T.P. Dinneen, and H. Gould, Phys. Rev. A60, 3882 (1999).
Ji, Songbai; Hartov, Alex; Roberts, David; Paulsen, Keith
2009-10-01
Biomechanical models that simulate brain deformation are gaining attention as alternatives for brain shift compensation. One approach, known as the "forced-displacement method", constrains the model to exactly match the measured data through boundary condition (BC) assignment. Although it improves model estimates and is computationally attractive, the method generates fictitious forces and may be ill-advised due to measurement uncertainty. Previously, we have shown that by assimilating intraoperatively acquired brain displacements in an inversion scheme, the Representer algorithm (REP) is able to maintain stress-free BCs and improve model estimates by 33% over those without data guidance in a controlled environment. However, REP is computationally efficient only when a few data points are used for model guidance because its costs scale linearly in the number of data points assimilated, thereby limiting its utility (and accuracy) in clinical settings. In this paper, we present a steepest gradient descent algorithm (SGD) whose computational complexity scales nearly invariantly with the number of measurements assimilated by iteratively adjusting the forcing conditions to minimize the difference between measured and model-estimated displacements (model-data misfit). Solutions of full linear systems of equations are achieved with a parallelized direct solver on a shared-memory, eight-processor Linux cluster. We summarize the error contributions from the entire process of model-updated image registration compensation and we show that SGD is able to attain model estimates comparable to or better than those obtained with REP, capturing about 74-82% of tumor displacement, but with a computational effort that is significantly less (a factor of 4-fold or more reduction relative to REP) and nearly invariant to the amount of sparse data involved when the number of points assimilated is large. Based on five patient cases, an average computational cost of approximately 2 min for
Grinias, James P; Wong, Jenny-Marie T; Kennedy, Robert T
2016-08-26
The impact of viscous friction on eluent temperature and column efficiency in liquid chromatography is of renewed interest as the need for pressures exceeding 1000bar to use with columns packed with sub-2μm particles has grown. One way the development of axial and radial temperature gradients that arise due to viscous friction can be affected is by the thermal environment the column is placed in. In this study, a new column oven integrated into an ultrahigh pressure liquid chromatograph that enables both still-air and forced-air operating modes is investigated to find the magnitude of the effect of the axial thermal gradient that forms in 2.1×100mm columns packed with sub-2μm particles in these modes. Temperature increases of nearly 30K were observed when the generated power of the column exceeded 25W/m. The impact of the heating due to viscous friction on the repeatability of peak capacity, elution time, and peak area ratio to an internal standard for a gradient UHPLC-MS/MS method to analyze neurotransmitters was found to be limited. This result indicates that high speed UHPLC-MS/MS gradient methods under conditions of high viscous friction may be possible without the negative effects typically observed with isocratic separations under similar conditions. PMID:27457561
NASA Astrophysics Data System (ADS)
Zou, Wenli; Filatov, Michael; Cremer, Dieter
2011-06-01
The analytical energy gradient of the normalized elimination of the small component (NESC) method is derived for the first time and implemented for the routine calculation of NESC geometries and other first order molecular properties. Essential for the derivation is the correct calculation of the transformation matrix U relating the small component to the pseudolarge component of the wavefunction. The exact form of {partial {U}}/{partial λ } is derived and its contribution to the analytical energy gradient is investigated. The influence of a finite nucleus model and that of the picture change is determined. Different ways of speeding up the calculation of the NESC gradient are tested. It is shown that first order properties can routinely be calculated in combination with Hartree-Fock, density functional theory (DFT), coupled cluster theory, or any electron correlation corrected quantum chemical method, provided the NESC Hamiltonian is determined in an efficient, but nevertheless accurate way. The general applicability of the analytical NESC gradient is demonstrated by benchmark calculations for NESC/CCSD (coupled cluster with all single and double excitation) and NESC/DFT involving up to 800 basis functions.
Bell, Robert T; Jacobs, Alan G; Sorg, Victoria C; Jung, Byungki; Hill, Megan O; Treml, Benjamin E; Thompson, Michael O
2016-09-12
A high-throughput method for characterizing the temperature dependence of material properties following microsecond to millisecond thermal annealing, exploiting the temperature gradients created by a lateral gradient laser spike anneal (lgLSA), is presented. Laser scans generate spatial thermal gradients of up to 5 °C/μm with peak temperatures ranging from ambient to in excess of 1400 °C, limited only by laser power and materials thermal limits. Discrete spatial property measurements across the temperature gradient are then equivalent to independent measurements after varying temperature anneals. Accurate temperature calibrations, essential to quantitative analysis, are critical and methods for both peak temperature and spatial/temporal temperature profile characterization are presented. These include absolute temperature calibrations based on melting and thermal decomposition, and time-resolved profiles measured using platinum thermistors. A variety of spatially resolved measurement probes, ranging from point-like continuous profiling to large area sampling, are discussed. Examples from annealing of III-V semiconductors, CdSe quantum dots, low-κ dielectrics, and block copolymers are included to demonstrate the flexibility, high throughput, and precision of this technique. PMID:27385487
High-sensitivity in-plane vector magnetometry using the alternating gradient force method
NASA Astrophysics Data System (ADS)
Thomas, Luc; Rahmani, Anas; Renaudin, Patrice; Wack, André
2003-05-01
The alternating gradient force magnetometer is a highly sensitive tool particularly suited for thin films magnetometry. The measurement technique is based upon the alternating force generated on a magnetized sample by a set of field-gradient coils. The so-induced sample oscillation is directly proportional to the sample's magnetization. High sensitivity measurements are achieved by mounting the sample at the end of a cantilever attached to a piezoelectric bimorph element, and by tuning the excitation frequency close to the mechanical resonance of the sample-cantilever assembly. Here we describe a new design that allows to measure both in-plane components of the magnetization of a thin film sample, for any direction of the external magnetic field within the sample's plane. By rotating the sample-probe assembly, we find the output signal to be proportional to the projection of the alternating force along the sense axis of the piezoelectric bimorph. Besides, the resonance frequency of the system remains unchanged. Thus, hysteresis loops can be measured accurately for various angles between the applied field and an in-plane anisotropy axis. The signal only vanishes when the alternating force is orthogonal to the bimorph axis. Moreover, we have designed a set of two pairs of gradient coils, whose axis are orthogonal to one another. By varying the excitation current within these two pairs of coils, it is possible to rotate the alternating gradient direction, to detect magnetization components along or perpendicular to the external field.
Velocity gradient method for calulating velocities in an axisymmetric annular duct
NASA Technical Reports Server (NTRS)
Katsanis, T.
1982-01-01
The velocity distribution along an arbitrary line between the inner and outer walls of an annular duct with axisymmetric swirling flow is calculated. The velocity gradient equation is used with an assumed variation of meridional streamline curvature. Upstream flow conditions can vary between the inner and outer walls, and an assumed total pressure distribution can be specified.
NASA Astrophysics Data System (ADS)
Arai, Jun; Okano, Fumio; Hoshino, Haruo; Yuyama, Ichiro
1998-04-01
Because a three-dimensional (3-D) autostereoscopic image can be seen from a desired viewpoint without the aid of special viewing glasses, integral photography (IP) is an ideal way to create 3-D autostereoscopic images. We have already proposed a real-time IP method that offers 3-D autostereoscopic images of moving objects in real time by use of a microlens array and a high-definition television camera. But there are two problems yet to be resolved: One is pseudoscopic images that show a reversed depth representation. The other is interference between the element images that constitute a 3-D autostereoscopic image. We describe a new gradient-index lense-array method based on real-time IP to overcome these two problems. Experimental results indicating the advantages of this method are shown. These results suggest the possibility of using a gradient-index lens array for real-time IP.
Shiono, Hiroyuki; Matsui, Takuya; Okada, Tadashi; Ito, Yoichiro
2016-08-01
We have developed a novel continuous flow-through cell separation method using a Percoll density gradient. This method can continuously separate a large number of cells into five fractions according to their densities. To apply this method to the separation of basophils, Percoll density gradients were modified to improve basophil enrichment. When a set of Percoll density gradients was prepared (1.071, 1.075, 1.080, 1.084, and 1.090 g/mL) the basophils in a healthy volunteer were enriched by an average of 23.1 and 63.5% at Percoll densities of 1.075 (fraction 3) and 1.080 g/mL (fraction 4), respectively. On average, the yield of basophils was 1.66 × 10(5) cells in fraction 3 and 1.61 × 10(5) cells in fraction 4 from 9 mL of peripheral blood. The expression of CD203c (cluster of differentiation 203c) on separated basophils was upregulated by anti-immunoglobulin E stimulation similar to basophils in whole blood. Histamine release induced by calcium ionophore was also observed in the separated basophils. The present method will be useful for basophil enrichment since it preserves their function without using counterflow elutriation and immunological reagents, and this method will be effective as a preparative separation for cell purification by flow cytometry. PMID:27293108
NASA Technical Reports Server (NTRS)
Mazaheri, Alireza; Ricchiuto, Mario; Nishikawa, Hiroaki
2016-01-01
In this paper, we introduce a new hyperbolic first-order system for general dispersive partial differential equations (PDEs). We then extend the proposed system to general advection-diffusion-dispersion PDEs. We apply the fourth-order RD scheme of Ref. 1 to the proposed hyperbolic system, and solve time-dependent dispersive equations, including the classical two-soliton KdV and a dispersive shock case. We demonstrate that the predicted results, including the gradient and Hessian (second derivative), are in a very good agreement with the exact solutions. We then show that the RD scheme applied to the proposed system accurately captures dispersive shocks without numerical oscillations. We also verify that the solution, gradient and Hessian are predicted with equal order of accuracy.
NASA Technical Reports Server (NTRS)
Freund, Roland
1988-01-01
Conjugate gradient type methods are considered for the solution of large linear systems Ax = b with complex coefficient matrices of the type A = T + i(sigma)I where T is Hermitian and sigma, a real scalar. Three different conjugate gradient type approaches with iterates defined by a minimal residual property, a Galerkin type condition, and an Euclidian error minimization, respectively, are investigated. In particular, numerically stable implementations based on the ideas behind Paige and Saunder's SYMMLQ and MINRES for real symmetric matrices are proposed. Error bounds for all three methods are derived. It is shown how the special shift structure of A can be preserved by using polynomial preconditioning. Results on the optimal choice of the polynomial preconditioner are given. Also, some numerical experiments for matrices arising from finite difference approximations to the complex Helmholtz equation are reported.
The optimized gradient method for full waveform inversion and its spectral implementation
NASA Astrophysics Data System (ADS)
Wu, Zedong; Alkhalifah, Tariq
2016-06-01
At the heart of the full waveform inversion (FWI) implementation is wavefield extrapolation, and specifically its accuracy and cost. To obtain accurate, dispersion free wavefields, the extrapolation for modelling is often expensive. Combining an efficient extrapolation with a novel gradient preconditioning can render an FWI implementation that efficiently converges to an accurate model. We, specifically, recast the extrapolation part of the inversion in terms of its spectral components for both data and gradient calculation. This admits dispersion free wavefields even at large extrapolation time steps, which improves the efficiency of the inversion. An alternative spectral representation of the depth axis in terms of sine functions allows us to impose a free surface boundary condition, which reflects our medium boundaries more accurately. Using a newly derived perfectly matched layer formulation for this spectral implementation, we can define a finite model with absorbing boundaries. In order to reduce the nonlinearity in FWI, we propose a multiscale conditioning of the objective function through combining the different directional components of the gradient to optimally update the velocity. Through solving a simple optimization problem, it specifically admits the smoothest approximate update while guaranteeing its ascending direction. An application to the Marmousi model demonstrates the capability of the proposed approach and justifies our assertions with respect to cost and convergence.
The Optimized Gradient Method for Full Waveform Inversion and its Spectral Implementation
NASA Astrophysics Data System (ADS)
Wu, Zedong; Alkhalifah, Tariq
2016-03-01
At the heart of the full waveform inversion (FWI) implementation is wavefield extrapolation, and specifically its accuracy and cost. To obtain accurate, dispersion free wavefields, the extrapolation for modeling is often expensive. Combining an efficient extrapolation with a novel gradient preconditioning can render an FWI implementation that efficiently converges to an accurate model. We, specifically, recast the extrapolation part of the inversion in terms of its spectral components for both data and gradient calculation. This admits dispersion free wavefields even at large extrapolation time steps, which improves the efficiency of the inversion. An alternative spectral representation of the depth axis in terms of sine functions allows us to impose a free surface boundary condition, which reflects our medium boundaries more accurately. Using a newly derived perfectly matched layer formulation for this spectral implementation, we can define a finite model with absorbing boundaries. In order to reduce the nonlinearity in FWI, we propose a multi-scale conditioning of the objective function through combining the different directional components of the gradient to optimally update the velocity. Through solving a simple optimization problem, it specifically admits the smoothest approximate update while guaranteeing its ascending direction. An application to the Marmousi model demonstrates the capability of the proposed approach, and justifies our assertions with respect to cost and convergence.
NASA Astrophysics Data System (ADS)
Kolgotin, Alexei; Müller, Detlef; Romanov, Anton; Chemyakin, Eduard
2016-06-01
Correlation relationships between aerosol microphysical parameters and optical data are investigated. The results show that surface-area concentrations and extinction coefficients are linearly correlated with a correlation coefficient above 0.99 for arbitrary particle size distribution. The correlation relationships that we obtained can be used as constraints in our inversion of optical lidar data. Simulation studies demonstrate a significant stabilization of aerosol microphysical data products if we apply the gradient correlation method in our traditional regularization technique.
Zhang, Xingfeng; Xia, Hanping; Li, Zhi'an; Zhuang, Ping; Gao, Bo
2011-05-15
A new method, soil seed bank-metal concentration gradient method was used to screen for heavy metal hyperaccumulators, and Solanum photeinocarpum was found to be a potential Cd-hyperaccumulator. The chlorophyll content and photosynthetic rate of S. photeinocarpum were not affected by Cd pollution, while leaf stomas and transpiration rate were significantly decreased by more than 60 mg kg(-1) Cd, and leaf water use efficiency and shoot water content were significantly increased by more than 60 or 100 mg kg(-1) Cd, respectively. In the seed bank-Cd concentration gradient experiment, the shoot biomass of S. photeinocarpum showed no significant reduction with soil Cd treatment as high as 100 mg kg(-1), but the root biomass was significantly reduced by more than 60 mg kg(-1) Cd contamination. Plant tissues accumulated 544, 132 and 158 mg kg(-1) Cd in roots, stems and leaves, respectively, and extracted 157 and 195 μg Cd plant(-1) in roots and shoots at 100 mg kg(-1) Cd in soil, respectively. In the transplanting-Cd concentration gradient experiment, plant shoot biomass and root biomass were unaffected by soil Cd as high as 60 mg kg(-1). Plant tissues accumulated 473, 215 and 251 mg kg(-1) Cd in roots, stems and leaves, respectively, and extracted 176 and 787 μg Cd plant(-1) in roots and shoots at 60 mg kg(-1) soil Cd, respectively. Soil seed bank-metal concentration gradient method could be an effective method for the screening of hyperaccumulators. PMID:21397392
ZHANG, ZHUOYUAN; WANG, CHENXING; LI, TANG; LIU, ZHE; LI, LONGJIANG
2014-01-01
The aim of the present study was to compare the method of ultracentrifugation and density gradient separation for isolating Tca8113 human tongue squamous cell carcinoma cell line-derived exosomes. The exosomes were obtained from the culture supernatant of cultured Tca8113 cells, respectively, followed by identification with transmission electron microscopy observation and western blot analysis. The two different methods were then compared by the morphology, the distribution range of the particle size and the concentration of proteins of the extracted exosomes. In vitro, Tca8113 cells can secrete a large amount of vesicle-like structures, which are identified as exosomes by the presence of the surface markers, Hsp-70 and Alix. The protein profile of the two products are almost the same, however the particle size distribution of the exosomes extracted with density gradient centrifugation are more limited, between 40–120 nm, and these have a higher protein concentration. The results indicate that Tca8113 cells can secrete exosomes in vitro, and the density gradient separation methods for purifying exosomes is improved, which is helpful for future research and application of exosomes. PMID:25202395
Calibration of the RPC charge readout in the ARGO-YBJ experiment with the iso-gradient method
NASA Astrophysics Data System (ADS)
Bartoli, B.; Bernardini, P.; Bi, X. J.; Branchini, P.; Budano, A.; Camarri, P.; Cao, Z.; Cardarelli, R.; Catalanotti, S.; Chen, S. Z.; Chen, T. L.; Creti, P.; Cui, S. W.; Dai, B. Z.; D`Amone, A.; Danzengluobu; De Mitri, I.; D`Ettorre Piazzoli, B.; Di Girolamo, T.; Di Sciascio, G.; Feng, C. F.; Feng, Zhaoyang; Feng, Zhenyong; Gou, Q. B.; Guo, Y. Q.; He, H. H.; Hu, Haibing; Hu, Hongbo; Iacovacci, M.; Iuppa, R.; Jia, H. Y.; Labaciren; Li, H. J.; Liguori, G.; Liu, C.; Liu, J.; Liu, M. Y.; Lu, H.; Ma, L. L.; Ma, X. H.; Mancarella, G.; Mari, S. M.; Marsella, G.; Martello, D.; Mastroianni, S.; Montini, P.; Ning, C. C.; Panareo, M.; Perrone, L.; Pistilli, P.; Ruggieri, F.; Salvini, P.; Santonico, R.; Shen, P. R.; Sheng, X. D.; Shi, F.; Surdo, A.; Tan, Y. H.; Vallania, P.; Vernetto, S.; Vigorito, C.; Wang, H.; Wu, C. Y.; Wu, H. R.; Xue, L.; Yang, Q. Y.; Yang, X. C.; Yao, Z. G.; Yuan, A. F.; Zha, M.; Zhang, H. M.; Zhang, L.; Zhang, X. Y.; Zhang, Y.; Zhao, J.; Zhaxiciren; Zhaxisangzhu; Zhou, X. X.; Zhu, F. R.; Zhu, Q. Q.; Zizzi, G.
2015-05-01
The ARGO-YBJ experiment is a full coverage array of Resistive Plate Chambers (RPCs) with an active area of 5800 m2. In order to eliminate the response difference of the charge readout from the RPCs, a calibration procedure is carried out with the iso-gradient method. This method also allows the extension of the absolute calibration with the muon telescope including scintillation detectors to all the RPCs in the array. The overall systematic uncertainty in measurements of the number of particles by the RPCs is 10.7%. In general, the method gives results consistent with those from a totally different approach also used in the experiment.
NASA Astrophysics Data System (ADS)
Perez Sanchez-Canete, Enrique; Scott, Russell L.; Barron-Gafford, Greg; van Haren, Joost
2016-04-01
Soil CO2 fluxes represent a major source of CO2 emissions, where small changes in their estimation provoke large changes in the quantification of the global carbon cycle. Recently, the gradient method that employs soil CO2 probes at multiple depths has been offered as a way to inexpensively and continuously measure soil CO2 flux. However, the use of the gradient method can yield inappropriate flux estimates due to the uncertainties mainly associated with the inappropriate determination of the soil diffusion coefficient. Therefore, in-situ methods to determine diffusion coefficient are necessary to obtain accurate CO2 fluxes. Here the data obtained during one year with two automatic soil CO2 chambers along with CO2 molar fraction data from 4 probes at 10 cm depth, were used to determine a model of soil diffusion coefficient (Ds), which was applied later to obtain the soil CO2 fluxes by the gradient method. Another Ds model was obtained by injection and sampling of SF6 during several campaigns with different soil water content levels. Both Ds models obtained in situ were compared with another 13 Ds models published. We addressed three questions: 1) Can we use a previously published model, or do we need to determine Ds in situ? 2) How accurate are the CO2 fluxes estimates obtained by the gradient method for different Ds models, compared with chamber-measured CO2 fluxes? 3) Can we take a limited number of chamber measurements to obtain a good Ds model, or we need longer calibration periods? Comparing the cumulative soil respiration for the different diffusion models, we found that the model with empirical calibration to the soil chambers had the best agreement with the chamber fluxes (<0.5% error). The SF6 model underestimated by chamber fluxes by 23% and the published models ranged from an underestimate of 78% to an overestimate of 14%. Most importantly, we found that a few days of measurements with a soil respiration chamber (with widely varying soil water content
NASA Astrophysics Data System (ADS)
Arioli, M.; Gratton, S.
2012-11-01
Minimum-variance unbiased estimates for linear regression models can be obtained by solving least-squares problems. The conjugate gradient method can be successfully used in solving the symmetric and positive definite normal equations obtained from these least-squares problems. Taking into account the results of Golub and Meurant (1997, 2009) [10,11], Hestenes and Stiefel (1952) [17], and Strakoš and Tichý (2002) [16], which make it possible to approximate the energy norm of the error during the conjugate gradient iterative process, we adapt the stopping criterion introduced by Arioli (2005) [18] to the normal equations taking into account the statistical properties of the underpinning linear regression problem. Moreover, we show how the energy norm of the error is linked to the χ2-distribution and to the Fisher-Snedecor distribution. Finally, we present the results of several numerical tests that experimentally validate the effectiveness of our stopping criteria.
NASA Technical Reports Server (NTRS)
Burt, Adam O.; Tinker, Michael L.
2014-01-01
In this paper, genetic algorithm based and gradient-based topology optimization is presented in application to a real hardware design problem. Preliminary design of a planetary lander mockup structure is accomplished using these methods that prove to provide major weight savings by addressing the structural efficiency during the design cycle. This paper presents two alternative formulations of the topology optimization problem. The first is the widely-used gradient-based implementation using commercially available algorithms. The second is formulated using genetic algorithms and internally developed capabilities. These two approaches are applied to a practical design problem for hardware that has been built, tested and proven to be functional. Both formulations converged on similar solutions and therefore were proven to be equally valid implementations of the process. This paper discusses both of these formulations at a high level.
Cell interaction study method using novel 3D silica nanoneedle gradient arrays
Rajput, Deepak; Crowder, Spencer; Hofmeister, Lucas; Costa, Lino; Sung, Hak-Joon; Hofmeister, William
2012-01-01
Understanding cellular interactions with culture substrate features is important to advance cell biology and regenerative medicine. When surface topographical features are considerably larger in vertical dimension and are spaced at least one cell dimension apart, the features act as 3D physical barriers that can guide cell adhesion, thereby altering cell behavior. In the present study, we investigated competitive interactions of cells with neighboring cells and matrix using a novel nanoneedle gradient array. A gradient array of nanoholes was patterned at the surface of fused silica by single-pulse femtosecond laser machining. A negative replica of the pattern was extracted by nanoimprinting with a thin film of polymer. Silica was deposited on top of the polymer replica to form silica nanoneedles. NIH 3T3 fibroblasts were cultured on silica nanoneedles and their behavior was studied and compared with those cultured on a flat silica surface. The presence of silica nanoneedles was found to enhance the adhesion of fibroblasts while maintaining cell viability. The anisotropy in the arrangement of silica nanoneedles was found to affect the morphology and spreading of fibroblasts. Additionally, variations in nanoneedle spacing regulated cell-matrix and cell-cell interactions, effectively preventing cell aggregation in areas of tightly-packed nanoneedles. This proof-of-concept study provides a reproducible means for controlling competitive cell adhesion events and offers a novel system whose properties can be manipulated to intimately control cell behavior. PMID:23006558
COLLECTION OF AIRBORNE PARTICLES BY A HIGH-GRADIENT PERMANENT MAGNETIC METHOD
Cheng, Mengdawn; Allman, Steve L; Ludtka, Gerard Michael; Avens, Larry R
2014-01-01
We report on the use of magnetic force in collection of airborne particles by a high- gradient permanent magnetic separation (HGPMS) device. Three aerosol particles of different magnetic susceptibility (NaCl, CuO, and Fe2O3) were generated in the electrical mobility size range of 10 to 200 nm and were used to study HGPMS collection. One HGPMS matrix element, made of stainless steel wool, was used in the device configuration. Three flow rates were selected to simulate the environmental wind speeds of interest to the study. Magnetic force was found to exhibit an insignificant effect on the separation of NaCl particles, even in the HGPMS configuration. Diffusion was a major mechanism in the removal of the diamagnetic particles; however, diffusion is insignificant under the influence of a high-gradient magnetic field for paramagnetic or ferromagnetic particles. The HGPMS showed high-performance collection (> 99%) of paramagnetic CuO and ferromagnetic Fe2O3 particles for particle sizes greater than or equal to 60 nm. As the wind speed increases, the influence of the magnetic force weakens, and the capability to remove particles from the gas stream diminishes. The results suggest that the HGPMS principle could be explored for development of an advanced miniaturized passive aerosol collector.
Song, Yanting; Takatsuki, Katsuya; Sekiguchi, Tetsushi; Funatsu, Takashi; Shoji, Shuichi; Tsunoda, Makoto
2016-07-01
This study reports a fast and quantitative determination method for phenylalanine (Phe) and tyrosine (Tyr) in human plasma using on-chip pressure-driven liquid chromatography. A pillar array column with low-dispersion turns and a gradient elution system was used. The separation of fluorescent derivatives of Phe, Tyr, and other hydrophobic amino acids was successfully performed within 140 s. Under the optimized conditions, Phe and Tyr in human plasma were quantified. The developed method is promising for rapid diagnosis in the clinical field. PMID:27209196
NASA Astrophysics Data System (ADS)
Zhang, Dong; Zhang, Ting-Ting; Zhang, Xiao-Lei; Yang, Yan; Hu, Ying; Qin, Qian-Qing
2013-05-01
We present a new method of three-dimensional (3-D) seismic ray tracing, based on an improvement to the linear traveltime interpolation (LTI) ray tracing algorithm. This new technique involves two separate steps. The first involves a forward calculation based on the LTI method and the dynamic successive partitioning scheme, which is applied to calculate traveltimes on cell boundaries and assumes a wavefront that expands from the source to all grid nodes in the computational domain. We locate several dynamic successive partition points on a cell's surface, the traveltimes of which can be calculated by linear interpolation between the vertices of the cell's boundary. The second is a backward step that uses Fermat's principle and the fact that the ray path is always perpendicular to the wavefront and follows the negative traveltime gradient. In this process, the first-arriving ray path can be traced from the receiver to the source along the negative traveltime gradient, which can be calculated by reconstructing the continuous traveltime field with cubic B-spline interpolation. This new 3-D ray tracing method is compared with the LTI method and the shortest path method (SPM) through a number of numerical experiments. These comparisons show obvious improvements to computed traveltimes and ray paths, both in precision and computational efficiency.
NASA Astrophysics Data System (ADS)
Kulkarni, Manish; Singh, Gurpreet; Karim, Alamgir
2012-02-01
Microphase morphologies of poly(styrene)-block-poly(methylmethacrylate) (PS-PMMA) block co-polymer (BCP) films coated on various tunable surface energy gradient (SEG) substrates were compared. Substrates were prepared by coating silane self assembled monolayer (SAM) and hydrophobic sol-gel based layer of silica (xerogel) on quartz and exposed to UV-ozone radiation by placing them on an accelerating stage that oxidizes the surface to generate SEG. The combinatorial thickness gradient samples of BCP film were prepared by flow coating the BCP solution orthogonal to the SEG. Samples were annealed using novel cold zone annealing (CZA) method with a sharp thermal gradient (50 ^oC/mm) to obtain highly ordered BCP morphologies. Effect of CZA annealing rate and film thickness on BCP morphologies of the SAM treated and untreated quartz as well as xerogel substrates were compared. It was observed that BCP films coated on the untreated quartz substrates exhibited hexagonally packed perpendicular cylindrical morphologies whereas higher area fraction of parallel cylinders was observed for SEG xerogel substrates for higher surface energies (>40 mJ/m^2). BCP 2D surface morphologies studied using AFM, were confirmed to extend to the interior of the film (3D) by GISAXS.
NASA Astrophysics Data System (ADS)
Kvíčala, M.; Frydrýšek, K.; Štamborská, M.
2015-03-01
This paper deals with the comparison of experimentally measured temperature gradients and finite-element-method (FEM) simulations of two heating strategies that were used for continuously cast bloom soaking. The temperature gradient between the bloom surface and center was measured by two thermocouples incorporated directly into the bloom. Scanning electron microscopy equipped by energy dispersive X-ray spectroscopy analysis, hot tensile tests, and interdendritic solidification software was used for modeling of steel thermophysical properties with respect to the alloying-elements macrosegregation. The model of the bloom was programmed in the Fortran language. The FEM software MARC/MENTAT 2012 was used for simulation of two heating strategies (plane strain formulation). The first heating model was fitted to the commonly used heating strategy when internal defects grew above the critical limit. The second heating model was a newly proposed strategy that consisted of slower heating up to 1073 K when the first warming-through period occurred. The FEM simulations included determinations of the temperature gradient, the equivalent of stress, the equivalent of elastic strain, the equivalent of plastic strain, and the equivalent of total strain. The simulation results were in good agreement with experimental observations. The new heating strategy based on the FEM simulations led to significantly lower occurrence of internal defects in hot-rolled billets that are used for cylinder production.
Phase gradient algorithm method for three-dimensional holographic ladar imaging.
Stafford, Jason W; Duncan, Bradley D; Rabb, David J
2016-06-10
Three-dimensional (3D) holographic ladar uses digital holography with frequency diversity to add the ability to resolve targets in range. A key challenge is that since individual frequency samples are not recorded simultaneously, differential phase aberrations may exist between them, making it difficult to achieve range compression. We describe steps specific to this modality so that phase gradient algorithms (PGA) can be applied to 3D holographic ladar data for phase corrections across multiple temporal frequency samples. Substantial improvement of range compression is demonstrated with a laboratory experiment where our modified PGA technique is applied. Additionally, the PGA estimator is demonstrated to be efficient for this application, and the maximum entropy saturation behavior of the estimator is analytically described. PMID:27409018
NASA Astrophysics Data System (ADS)
Chen, Chong; Xu, Guoliang
2012-03-01
In this paper, we present a novel and effective L2-gradient-flow-based semi-implicit finite-element method for solving a variational problem of image reconstruction. The method is applicable to several data scenarios, especially for the contaminated data detected from uniformly sparse or randomly distributed projection directions. We also give a complete and rigorous proof for the convergence of the semi-implicit finite-element method, in which the convergence does not rely on the choices of the regularization parameter and the temporal step size. The experimental results show that our method has more desirable performance comparing with other reconstruction methods in solving a number of challenging reconstruction problems.
Elmendorf, Sarah C.; Henry, Gregory H. R.; Hollister, Robert D.; Fosaa, Anna Maria; Gould, William A.; Hermanutz, Luise; Hofgaard, Annika; Jónsdóttir, Ingibjörg S.; Jorgenson, Janet C.; Lévesque, Esther; Magnusson, Borgþór; Molau, Ulf; Myers-Smith, Isla H.; Oberbauer, Steven F.; Rixen, Christian; Tweedie, Craig E.; Walker, Marilyn D.
2015-01-01
Inference about future climate change impacts typically relies on one of three approaches: manipulative experiments, historical comparisons (broadly defined to include monitoring the response to ambient climate fluctuations using repeat sampling of plots, dendroecology, and paleoecology techniques), and space-for-time substitutions derived from sampling along environmental gradients. Potential limitations of all three approaches are recognized. Here we address the congruence among these three main approaches by comparing the degree to which tundra plant community composition changes (i) in response to in situ experimental warming, (ii) with interannual variability in summer temperature within sites, and (iii) over spatial gradients in summer temperature. We analyzed changes in plant community composition from repeat sampling (85 plant communities in 28 regions) and experimental warming studies (28 experiments in 14 regions) throughout arctic and alpine North America and Europe. Increases in the relative abundance of species with a warmer thermal niche were observed in response to warmer summer temperatures using all three methods; however, effect sizes were greater over broad-scale spatial gradients relative to either temporal variability in summer temperature within a site or summer temperature increases induced by experimental warming. The effect sizes for change over time within a site and with experimental warming were nearly identical. These results support the view that inferences based on space-for-time substitution overestimate the magnitude of responses to contemporary climate warming, because spatial gradients reflect long-term processes. In contrast, in situ experimental warming and monitoring approaches yield consistent estimates of the magnitude of response of plant communities to climate warming. PMID:25548195
Elmendorf, Sarah C; Henry, Gregory H R; Hollister, Robert D; Fosaa, Anna Maria; Gould, William A; Hermanutz, Luise; Hofgaard, Annika; Jónsdóttir, Ingibjörg S; Jónsdóttir, Ingibjörg I; Jorgenson, Janet C; Lévesque, Esther; Magnusson, Borgþór; Molau, Ulf; Myers-Smith, Isla H; Oberbauer, Steven F; Rixen, Christian; Tweedie, Craig E; Walker, Marilyn D; Walker, Marilyn
2015-01-13
Inference about future climate change impacts typically relies on one of three approaches: manipulative experiments, historical comparisons (broadly defined to include monitoring the response to ambient climate fluctuations using repeat sampling of plots, dendroecology, and paleoecology techniques), and space-for-time substitutions derived from sampling along environmental gradients. Potential limitations of all three approaches are recognized. Here we address the congruence among these three main approaches by comparing the degree to which tundra plant community composition changes (i) in response to in situ experimental warming, (ii) with interannual variability in summer temperature within sites, and (iii) over spatial gradients in summer temperature. We analyzed changes in plant community composition from repeat sampling (85 plant communities in 28 regions) and experimental warming studies (28 experiments in 14 regions) throughout arctic and alpine North America and Europe. Increases in the relative abundance of species with a warmer thermal niche were observed in response to warmer summer temperatures using all three methods; however, effect sizes were greater over broad-scale spatial gradients relative to either temporal variability in summer temperature within a site or summer temperature increases induced by experimental warming. The effect sizes for change over time within a site and with experimental warming were nearly identical. These results support the view that inferences based on space-for-time substitution overestimate the magnitude of responses to contemporary climate warming, because spatial gradients reflect long-term processes. In contrast, in situ experimental warming and monitoring approaches yield consistent estimates of the magnitude of response of plant communities to climate warming. PMID:25548195
NASA Astrophysics Data System (ADS)
Durand, M. T.; Molotch, N. P.; Kim, E. J.; Margulis, S. A.; Courville, Z.; Bateni, S.
2011-12-01
Snow microstructure is one of the fundamental controls on the propagation of radiation through the snowpack, at wavelengths ranging from visible to microwave. Objective characterization of snow microstructure for radiative transfer modeling has long been a difficult issue. Traditionally measurements of snow microstructure have been made via hand lens or stereology. Geometric grain size or the maximum linear extent of prevailing grains can be measured using a ruled card or a loupe- style hand lens, but these measurements are prone to observer error. In the stereology approach, snow samples are obtained in the field, preserved via a casting agent, cut with a microtome and photographed in the lab, then analyzed to obtain the specific surface area; these measurements are time and resource intensive. More recently, field-based techniques have been developed, including contact spectroscopy and NIR photography. Contact spectroscopy has a vertical resolution ~2 cm, while the NIR camera has a vertical resolution ~1mm. Contact spectroscopy measures direct reflectance across the entire visible/NIR spectrum, while the NIR camera measures diffuse reflectance within a single wavelength band. In this study, our goal was to evaluate how accurately the contact spectroscopy and NIR photography characterize specific surface area for four different types of snow. Our study took place in Steamboat Springs, Colorado in late March, 2011. We measured grain size at four different elevations, approximately at four locations spanning an elevation gradient of ~1000 meters. At the lowest elevation, liquid water was present in the snowpack on some days, and significant melt-refreeze crusts were present throughout the pack. At the highest elevation, no evidence of melt metamorphism was observed, except for a basal melt-refreeze crust from the beginning of the season. In addition to evaluating the accuracy of each technique, we evaluated the sensitivity of each technique to easily-made user
NASA Astrophysics Data System (ADS)
Fantino, E.; Casotto, S.
2009-07-01
Four widely used algorithms for the computation of the Earth’s gravitational potential and its first-, second- and third-order gradients are examined: the traditional increasing degree recursion in associated Legendre functions and its variant based on the Clenshaw summation, plus the methods of Pines and Cunningham-Metris, which are free from the singularities that distinguish the first two methods at the geographic poles. All four methods are reorganized with the lumped coefficients approach, which in the cases of Pines and Cunningham-Metris requires a complete revision of the algorithms. The characteristics of the four methods are studied and described, and numerical tests are performed to assess and compare their precision, accuracy, and efficiency. In general the performance levels of all four codes exhibit large improvements over previously published versions. From the point of view of numerical precision, away from the geographic poles Clenshaw and Legendre offer an overall better quality. Furthermore, Pines and Cunningham-Metris are affected by an intrinsic loss of precision at the equator and suffer from additional deterioration when the gravity gradients components are rotated into the East-North-Up topocentric reference system.
Ward, G.J. Ecole Polytechnique Federale, Lausanne ); Heckbert, P.S. . School of Computer Science Technische Hogeschool Delft . Dept. of Technical Mathematics and Informatics)
1992-04-01
A new method for improving the accuracy of a diffuse interreflection calculation is introduced in a ray tracing context. The information from a hemispherical sampling of the luminous environment is interpreted in a new way to predict the change in irradiance as a function of position and surface orientation. The additional computation involved is modest and the benefit is substantial. An improved interpolation of irradiance resulting from the gradient calculation produces smoother, more accurate renderings. This result is achieved through better utilization of ray samples rather than additional samples or alternate sampling strategies. Thus, the technique is applicable to a variety of global illumination algorithms that use hemicubes or Monte Carlo sampling techniques.
NASA Astrophysics Data System (ADS)
Theobald, Mark R.; Crittenden, Peter D.; Tang, Y. Sim; Sutton, Mark A.
2013-12-01
Penguin colonies represent some of the most concentrated sources of ammonia emissions to the atmosphere in the world. The ammonia emitted into the atmosphere can have a large influence on the nitrogen cycling of ecosystems near the colonies. However, despite the ecological importance of the emissions, no measurements of ammonia emissions from penguin colonies have been made. The objective of this work was to determine the ammonia emission rate of a penguin colony using inverse-dispersion modelling and gradient methods. We measured meteorological variables and mean atmospheric concentrations of ammonia at seven locations near a colony of Adélie penguins in Antarctica to provide input data for inverse-dispersion modelling. Three different atmospheric dispersion models (ADMS, LADD and a Lagrangian stochastic model) were used to provide a robust emission estimate. The Lagrangian stochastic model was applied both in ‘forwards’ and ‘backwards’ mode to compare the difference between the two approaches. In addition, the aerodynamic gradient method was applied using vertical profiles of mean ammonia concentrations measured near the centre of the colony. The emission estimates derived from the simulations of the three dispersion models and the aerodynamic gradient method agreed quite well, giving a mean emission of 1.1 g ammonia per breeding pair per day (95% confidence interval: 0.4-2.5 g ammonia per breeding pair per day). This emission rate represents a volatilisation of 1.9% of the estimated nitrogen excretion of the penguins, which agrees well with that estimated from a temperature-dependent bioenergetics model. We found that, in this study, the Lagrangian stochastic model seemed to give more reliable emission estimates in ‘forwards’ mode than in ‘backwards’ mode due to the assumptions made.
Jagannath, Ravi Prasad K; Yalavarthy, Phaneendra K
2013-03-01
Typical image-guided diffuse optical tomographic image reconstruction procedures involve reduction of the number of optical parameters to be reconstructed equal to the number of distinct regions identified in the structural information provided by the traditional imaging modality. This makes the image reconstruction problem less ill-posed compared to traditional underdetermined cases. Still, the methods that are deployed in this case are same as those used for traditional diffuse optical image reconstruction, which involves a regularization term as well as computation of the Jacobian. A gradient-free Nelder-Mead simplex method is proposed here to perform the image reconstruction procedure and is shown to provide solutions that closely match ones obtained using established methods, even in highly noisy data. The proposed method also has the distinct advantage of being more efficient owing to being regularization free, involving only repeated forward calculations. PMID:23515862
NASA Astrophysics Data System (ADS)
Jagannath, Ravi Prasad K.; Yalavarthy, Phaneendra K.
2013-03-01
Typical image-guided diffuse optical tomographic image reconstruction procedures involve reduction of the number of optical parameters to be reconstructed equal to the number of distinct regions identified in the structural information provided by the traditional imaging modality. This makes the image reconstruction problem less ill-posed compared to traditional underdetermined cases. Still, the methods that are deployed in this case are same as those used for traditional diffuse optical image reconstruction, which involves a regularization term as well as computation of the Jacobian. A gradient-free Nelder-Mead simplex method is proposed here to perform the image reconstruction procedure and is shown to provide solutions that closely match ones obtained using established methods, even in highly noisy data. The proposed method also has the distinct advantage of being more efficient owing to being regularization free, involving only repeated forward calculations.
Can the gradient method improve our ability to predict soil respiration?
NASA Astrophysics Data System (ADS)
Phillips, Claire; Nickerson, Nicholas; Risk, Dave
2015-04-01
Soil surface flux measurements integrate respiration across steep vertical gradients of soil texture, moisture, temperature, and carbon substrates. Although there are benefits to integrating complex soil processes in a single surface measure, i.e. for constructing soil carbon budgets, one serious drawback of studying only surface respiration is the difficulty in generating predictive relationships from environmental drivers. For example, the relationship between depth-integrated soil respiration and temperature measured at a single discreet depth (apparent temperature sensitivity) can bear little resemblance to the temperature sensitivity of soil respiration within soil layers (actual temperature sensitivity). Here we present several examples of how the inferred environmental sensitivity of soil respiration can be improved from observations of CO2 flux profiles in contrast to surface fluxes alone. We present a theoretical approach for estimating the temperature sensitivity of soil respiration in situ, called the weighted heat flux approach, which avoids much of the hysteresis produced by typical respiration-temperature comparisons. The weighted heat flux approach gives more accurate estimates of within-soil temperature sensitivity, and is arguably the most theoretically robust analytical temperature model available. We also show how soil drying influences the effectiveness of the weighted heat flux approach, as well as the relative activity of discreet soil layers and specific soil organisms, such as mycorrhizal fungi. The additional information provided by within-soil flux profiles can improve the fidelity of both probabilistic and mechanistic soil respiration models
Design of a gradient-index beam shaping system via a genetic algorithm optimization method
NASA Astrophysics Data System (ADS)
Evans, Neal C.; Shealy, David L.
2000-10-01
Geometrical optics - the laws of reflection and refraction, ray tracing, conservation of energy within a bundle of rays, and the condition of constant optical path length - provides a foundation for design of laser beam shaping systems. This paper explores the use of machine learning techniques, concentrating on genetic algorithms, to design laser beam shaping systems using geometrical optics. Specifically, a three-element GRIN laser beam shaping system has been designed to expand and transform a Gaussian input beam profile into one with a uniform irradiance profile. Solution to this problem involves the constrained optimization of a merit function involving a mix of discrete and continuous parameters. The merit function involves terms that measure the deviation of the output beam diameter, divergence, and irradiance from target values. The continuous parameters include the distances between the lens elements, the thickness, and radii of the lens elements. The discrete parameters include the GRIN glass types from a manufacturer's database, the gradient direction of the GRIN elements (positive or negative), and the actual number of lens elements in the system (one to four).
Flotemersch, Joseph E; North, Sheila; Blocksom, Karen A
2014-02-01
Benthic macroinvertebrates are sampled in streams and rivers as one of the assessment elements of the US Environmental Protection Agency's National Rivers and Streams Assessment. In a 2006 report, the recommendation was made that different yet comparable methods be evaluated for different types of streams (e.g., low gradient vs. high gradient). Consequently, a research element was added to the 2008-2009 National Rivers and Streams Assessment to conduct a side-by-side comparison of the standard macroinvertebrate sampling method with an alternate method specifically designed for low-gradient wadeable streams and rivers that focused more on stream edge habitat. Samples were collected using each method at 525 sites in five of nine aggregate ecoregions located in the conterminous USA. Methods were compared using the benthic macroinvertebrate multimetric index developed for the 2006 Wadeable Streams Assessment. Statistical analysis did not reveal any trends that would suggest the overall assessment of low-gradient streams on a regional or national scale would change if the alternate method was used rather than the standard sampling method, regardless of the gradient cutoff used to define low-gradient streams. Based on these results, the National Rivers and Streams Survey should continue to use the standard field method for sampling all streams. PMID:24081815
NASA Astrophysics Data System (ADS)
Garcia-Ruiz, Andres; Pastor-Graells, Juan; Martins, Hugo F.; Martin-Lopez, Sonia; Gonzalez-Herraez, Miguel
2016-05-01
A method to evaluate distributed temperature gradients along an optical fiber using phase-sensitive optical time domain reflectometry (ΦOTDR) with direct detection is proposed and experimentally validated. The measurement principle derives from the perturbation response of a single-wavelength ΦOTDR signal, which is analyzed as a unidimensional speckle pattern. Our method can be implemented in real-time, relies solely on a low-cost post-processing of the standard ΦOTDR traces and requires no scanning of the laser frequency. This post-processing method can be implemented over a conventional ΦOTDR system used for distributed intrusion detection, without affecting its operation or requiring any additional hardware.
Giżyńska, Marta K.; Kukołowicz, Paweł F.; Kordowski, Paweł
2014-01-01
Aim The aim of this work is to present a method of beam weight and wedge angle optimization for patients with prostate cancer. Background 3D-CRT is usually realized with forward planning based on a trial and error method. Several authors have published a few methods of beam weight optimization applicable to the 3D-CRT. Still, none on these methods is in common use. Materials and methods Optimization is based on the assumption that the best plan is achieved if dose gradient at ICRU point is equal to zero. Our optimization algorithm requires beam quality index, depth of maximum dose, profiles of wedged fields and maximum dose to femoral heads. The method was tested for 10 patients with prostate cancer, treated with the 3-field technique. Optimized plans were compared with plans prepared by 12 experienced planners. Dose standard deviation in target volume, and minimum and maximum doses were analyzed. Results The quality of plans obtained with the proposed optimization algorithms was comparable to that prepared by experienced planners. Mean difference in target dose standard deviation was 0.1% in favor of the plans prepared by planners for optimization of beam weights and wedge angles. Introducing a correction factor for patient body outline for dose gradient at ICRU point improved dose distribution homogeneity. On average, a 0.1% lower standard deviation was achieved with the optimization algorithm. No significant difference in mean dose–volume histogram for the rectum was observed. Conclusions Optimization shortens very much time planning. The average planning time was 5 min and less than a minute for forward and computer optimization, respectively. PMID:25337411
Wan, B; Doumen, C; Duszynski, J; Salama, G; LaNoue, K F
1993-08-01
The electrical potential gradient across the mitochondrial membrane (delta psi m) in perfused rat hearts was estimated by calculating the equilibrium distribution of the lipophilic cation tetraphenylphosphonium (TPP+), using measured kinetic constants of uptake and release of TPP+. First-order rate constants of TPP+ uptake were measured during 30-min perfusions of intact rat hearts with tracer amounts (5.0 nM) of tritium-labeled TPP+ ([3H]TPP+) in the perfusate. This was followed by a 30-min washout, during which the first-order rate constant of efflux was estimated. Values of [3H]TPP+ outside the heart and total [3H]TPP+ inside the heart at equilibrium were calculated. From this information and separately estimated time-averaged plasma membrane potentials (delta psi c) it was possible to calculate free cytosolic [3H]TPP+ at equilibrium. It was also possible to calculate free intramitochondrial [3H]TPP+ at equilibrium as the difference between total tissue [3H]TPP+ minus free cytosolic TPP+ and the sum of all the bound [3H]TPP+. Bound [3H]TPP+ was determined from [3H]TPP+ binding constants measured in separate experiments, using both isolated mitochondria and isolated cardiac myocytes under conditions where both delta psi m and delta psi c were zero. Delta psi m was calculated from the intramitochondrial and cytosolic free TPP+ concentrations using the Nernst equation. Values of delta psi m were 144.9 +/- 2.0 mV in hearts perfused with 5 mM pyruvate and 118.2 +/- 1.4 mV in hearts perfused with 11 mM glucose, in good agreement with delta psi m obtained from isolated rat heart mitochondria.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:8368347
Improving the accuracy of convexity splitting methods for gradient flow equations
NASA Astrophysics Data System (ADS)
Glasner, Karl; Orizaga, Saulo
2016-06-01
This paper introduces numerical time discretization methods which significantly improve the accuracy of the convexity-splitting approach of Eyre (1998) [7], while retaining the same numerical cost and stability properties. A first order method is constructed by iteration of a semi-implicit method based upon decomposing the energy into convex and concave parts. A second order method is also presented based on backwards differentiation formulas. Several extrapolation procedures for iteration initialization are proposed. We show that, under broad circumstances, these methods have an energy decreasing property, leading to good numerical stability. The new schemes are tested using two evolution equations commonly used in materials science: the Cahn-Hilliard equation and the phase field crystal equation. We find that our methods can increase accuracy by many orders of magnitude in comparison to the original convexity-splitting algorithm. In addition, the optimal methods require little or no iteration, making their computation cost similar to the original algorithm.
Macdonald, Benn; Husmeier, Dirk
2015-01-01
Parameter inference in mathematical models of biological pathways, expressed as coupled ordinary differential equations (ODEs), is a challenging problem in contemporary systems biology. Conventional methods involve repeatedly solving the ODEs by numerical integration, which is computationally onerous and does not scale up to complex systems. Aimed at reducing the computational costs, new concepts based on gradient matching have recently been proposed in the computational statistics and machine learning literature. In a preliminary smoothing step, the time series data are interpolated; then, in a second step, the parameters of the ODEs are optimized, so as to minimize some metric measuring the difference between the slopes of the tangents to the interpolants, and the time derivatives from the ODEs. In this way, the ODEs never have to be solved explicitly. This review provides a concise methodological overview of the current state-of-the-art methods for gradient matching in ODEs, followed by an empirical comparative evaluation based on a set of widely used and representative benchmark data. PMID:26636071
Macdonald, Benn; Husmeier, Dirk
2015-01-01
Parameter inference in mathematical models of biological pathways, expressed as coupled ordinary differential equations (ODEs), is a challenging problem in contemporary systems biology. Conventional methods involve repeatedly solving the ODEs by numerical integration, which is computationally onerous and does not scale up to complex systems. Aimed at reducing the computational costs, new concepts based on gradient matching have recently been proposed in the computational statistics and machine learning literature. In a preliminary smoothing step, the time series data are interpolated; then, in a second step, the parameters of the ODEs are optimized, so as to minimize some metric measuring the difference between the slopes of the tangents to the interpolants, and the time derivatives from the ODEs. In this way, the ODEs never have to be solved explicitly. This review provides a concise methodological overview of the current state-of-the-art methods for gradient matching in ODEs, followed by an empirical comparative evaluation based on a set of widely used and representative benchmark data. PMID:26636071
Golubović, Jelena; Protić, Ana; Otašević, Biljana; Zečević, Mira
2016-04-01
QSRR are mathematically derived relationships between the chromatographic parameters determined for a representative series of analytes in given separation systems and the molecular descriptors accounting for the structural differences among the investigated analytes. Artificial neural network is a technique of data analysis, which sets out to emulate the human brain's way of working. The aim of the present work was to optimize separation of six angiotensin receptor antagonists, so-called sartans: losartan, valsartan, irbesartan, telmisartan, candesartan cilexetil and eprosartan in a gradient-elution HPLC method. For this purpose, ANN as a mathematical tool was used for establishing a QSRR model based on molecular descriptors of sartans and varied instrumental conditions. The optimized model can be further used for prediction of an external congener of sartans and analysis of the influence of the analyte structure, represented through molecular descriptors, on retention behaviour. Molecular descriptors included in modelling were electrostatic, geometrical and quantum-chemical descriptors: connolly solvent excluded volume non-1,4 van der Waals energy, octanol/water distribution coefficient, polarizability, number of proton-donor sites and number of proton-acceptor sites. Varied instrumental conditions were gradient time, buffer pH and buffer molarity. High prediction ability of the optimized network enabled complete separation of the analytes within the run time of 15.5 min under following conditions: gradient time of 12.5 min, buffer pH of 3.95 and buffer molarity of 25 mM. Applied methodology showed the potential to predict retention behaviour of an external analyte with the properties within the training space. Connolly solvent excluded volume, polarizability and number of proton-acceptor sites appeared to be most influential paramateres on retention behaviour of the sartans. PMID:26838399
Pilliod, David S.; Arkle, Robert S.
2013-01-01
Resource managers and scientists need efficient, reliable methods for quantifying vegetation to conduct basic research, evaluate land management actions, and monitor trends in habitat conditions. We examined three methods for quantifying vegetation in 1-ha plots among different plant communities in the northern Great Basin: photography-based grid-point intercept (GPI), line-point intercept (LPI), and point-quarter (PQ). We also evaluated each method for within-plot subsampling adequacy and effort requirements relative to information gain. We found that, for most functional groups, percent cover measurements collected with the use of LPI, GPI, and PQ methods were strongly correlated. These correlations were even stronger when we used data from the upper canopy only (i.e., top “hit” of pin flags) in LPI to estimate cover. PQ was best at quantifying cover of sparse plants such as shrubs in early successional habitats. As cover of a given functional group decreased within plots, the variance of the cover estimate increased substantially, which required more subsamples per plot (i.e., transect lines, quadrats) to achieve reliable precision. For GPI, we found that that six–nine quadrats per hectare were sufficient to characterize the vegetation in most of the plant communities sampled. All three methods reasonably characterized the vegetation in our plots, and each has advantages depending on characteristics of the vegetation, such as cover or heterogeneity, study goals, precision of measurements required, and efficiency needed.
Werner-Wasik, Maria; Nelson, Arden D.; Choi, Walter; Arai, Yoshio; Faulhaber, Peter F.; Kang, Patrick; Almeida, Fabio D.; Xiao, Ying; Ohri, Nitin; Brockway, Kristin D.; Piper, Jonathan W.; Nelson, Aaron S.
2012-03-01
Purpose: To evaluate the accuracy and consistency of a gradient-based positron emission tomography (PET) segmentation method, GRADIENT, compared with manual (MANUAL) and constant threshold (THRESHOLD) methods. Methods and Materials: Contouring accuracy was evaluated with sphere phantoms and clinically realistic Monte Carlo PET phantoms of the thorax. The sphere phantoms were 10-37 mm in diameter and were acquired at five institutions emulating clinical conditions. One institution also acquired a sphere phantom with multiple source-to-background ratios of 2:1, 5:1, 10:1, 20:1, and 70:1. One observer segmented (contoured) each sphere with GRADIENT and THRESHOLD from 25% to 50% at 5% increments. Subsequently, seven physicians segmented 31 lesions (7-264 mL) from 25 digital thorax phantoms using GRADIENT, THRESHOLD, and MANUAL. Results: For spheres <20 mm in diameter, GRADIENT was the most accurate with a mean absolute % error in diameter of 8.15% (10.2% SD) compared with 49.2% (51.1% SD) for 45% THRESHOLD (p < 0.005). For larger spheres, the methods were statistically equivalent. For varying source-to-background ratios, GRADIENT was the most accurate for spheres >20 mm (p < 0.065) and <20 mm (p < 0.015). For digital thorax phantoms, GRADIENT was the most accurate (p < 0.01), with a mean absolute % error in volume of 10.99% (11.9% SD), followed by 25% THRESHOLD at 17.5% (29.4% SD), and MANUAL at 19.5% (17.2% SD). GRADIENT had the least systematic bias, with a mean % error in volume of -0.05% (16.2% SD) compared with 25% THRESHOLD at -2.1% (34.2% SD) and MANUAL at -16.3% (20.2% SD; p value <0.01). Interobserver variability was reduced using GRADIENT compared with both 25% THRESHOLD and MANUAL (p value <0.01, Levene's test). Conclusion: GRADIENT was the most accurate and consistent technique for target volume contouring. GRADIENT was also the most robust for varying imaging conditions. GRADIENT has the potential to play an important role for tumor delineation in
Improvement of the variable storage coefficient method with water surface gradient as a variable
Technology Transfer Automated Retrieval System (TEKTRAN)
The variable storage coefficient (VSC) method has been used for streamflow routing in continuous hydrological simulation models such as the Agricultural Policy/Environmental eXtender (APEX) and the Soil and Water Assessment Tool (SWAT) for more than 30 years. APEX operates on a daily time step and ...
Reyes-Acosta, J Leonardo; Vandegehuchte, Maurits W; Steppe, Kathy; Lubczynski, Maciek W
2012-07-01
Sap flow measurements conducted with thermal dissipation probes (TDPs) are vulnerable to natural temperature gradient (NTG) bias. Few studies, however, attempted to explain the dynamics underlying the NTG formation and its influence on the sensors' signal. This study focused on understanding how the TDP signals are affected by negative and positive temperature influences from NTG and tested the novel cyclic heat dissipation (CHD) method to filter out the NTG bias. A series of three experiments were performed in which gravity-driven water flow was enforced on freshly cut stem segments of Fagus sylvatica L., while an artificial temperature gradient (ATG) was induced. The first experiment sought to confirm the incidence of the ATG on sensors. The second experiment established the mis-estimations caused by the biasing effect of the ATG on standard TDP measurements. The third experiment tested the accuracy of the CHD method to account for the ATG biasing effect, as compared with other cyclic correction methods. During experiments, sap flow measured by TDP was assessed against gravimetric measurements. The results show that negative and positive ATGs were comparable in pattern but substantially larger than field NTGs. Second, the ATG bias caused an overestimation of the standard TDP sap flux density of ∼17 cm(3) cm(-2) h(-1) by 76%, and the sap flux density of ∼2 cm(3) cm(-2) h(-1) by over 800%. Finally, the proposed CHD method successfully reduced the max. ATG bias to 25% at ∼11 cm(3) cm(-2) h(-1) and to 40% at ∼1 cm(3) cm(-2) h(-1). We concluded that: (i) the TDP method is susceptible to NTG especially at low flows; (ii) the CHD method successfully corrected the TDP signal and resulted in generally more accurate sap flux density estimates (mean absolute percentage error ranging between 11 and 21%) than standard constant power TDP method and other cyclic power methods; and (iii) the ATG enforcing system is a suitable way of re-creating NTG for future tests. PMID
NASA Technical Reports Server (NTRS)
Giulianelli, J.
1984-01-01
In order to predict the thermal efficiency of a solar pond it is necessary to know total average solar energy reaching the storage layer. One method for determining this energy for water containing dissolved colored species is based upon spectral transmission measurements using a laboratory spectrophotometer. This method is examined and some of the theoretical ground work needed to discuss the measurement of transmission of light water. Results of in situ irradiance measurements from oceanography research are presented and the difficulties inherent in extrapolating laboratory data obtained with ten centimeter cells to real three dimensional pond situations is discussed. Particular emphasis is put on the need to account for molecular and particulate scattering in measurements done on low absorbing solutions. Despite these considerations it is expected that attenuation calculations based upon careful measurements using a dual beam spectrophotometer technique combined with known attenuation coefficients will be useful in solar pond modeling and monitoring for color buildup. Preliminary results using the CSM method are presented.
NASA Technical Reports Server (NTRS)
Choi, J.; Cruz, Magda; Metzl, R.; Wang, W. S.; Aggarwal, M. D.; Penn, Benjamin G.; Frazier, Donald O.
1998-01-01
A new process for producing large bulk single crystals of benzil (C6H5COCOC6H5) is reported in this paper. Good quality crystals have been successfully grown using this approach to crystal growth. This method seems to be very promising for other thermally stable NLO organic materials also. The entire contents vycor crucible 1.5 inch in diameter and 2 inch deep was converted to single crystal. Purity of the starting growth material is also an important factor in the final quality of the grown crystals. The entire crystal can be very easily taken out of the crucible by simple maneuvering. Initial characterization of the grown crystals indicated that the crystals are as good as other crystals grown by conventional Bridgman Stockbarger technique.
Huang, D; Chow, Tommy W S
2007-01-01
Microarray gene expression data usually consist of a large amount of genes. Among these genes, only a small fraction is informative for performing cancer diagnostic test. This paper focuses on effective identification of informative genes. We analyze gene selection models from the perspective of optimization theory. As a result, a new strategy is designed to modify conventional search engines. Also, as overfitting is likely to occur in microarray data because of their small sample set, a point injection technique is developed to address the problem of overfitting. The proposed strategies have been evaluated on three kinds of cancer diagnosis. Our results show that the proposed strategies can improve the performance of gene selection substantially. The experimental results also indicate that the proposed methods are very robust under all the investigated cases. PMID:17666766
Wei, Jun Zhou, Chuan; Chan, Heang-Ping; Chughtai, Aamer; Agarwal, Prachi; Kuriakose, Jean; Hadjiiski, Lubomir; Patel, Smita; Kazerooni, Ella
2014-08-15
Purpose: The buildup of noncalcified plaques (NCPs) that are vulnerable to rupture in coronary arteries is a risk for myocardial infarction. Interpretation of coronary CT angiography (cCTA) to search for NCP is a challenging task for radiologists due to the low CT number of NCP, the large number of coronary arteries, and multiple phase CT acquisition. The authors conducted a preliminary study to develop machine learning method for automated detection of NCPs in cCTA. Methods: With IRB approval, a data set of 83 ECG-gated contrast enhanced cCTA scans with 120 NCPs was collected retrospectively from patient files. A multiscale coronary artery response and rolling balloon region growing (MSCAR-RBG) method was applied to each cCTA volume to extract the coronary arterial trees. Each extracted vessel was reformatted to a straightened volume composed of cCTA slices perpendicular to the vessel centerline. A topological soft-gradient (TSG) detection method was developed to prescreen for NCP candidates by analyzing the 2D topological features of the radial gradient field surface along the vessel wall. The NCP candidates were then characterized by a luminal analysis that used 3D geometric features to quantify the shape information and gray-level features to evaluate the density of the NCP candidates. With machine learning techniques, useful features were identified and combined into an NCP score to differentiate true NCPs from false positives (FPs). To evaluate the effectiveness of the image analysis methods, the authors performed tenfold cross-validation with the available data set. Receiver operating characteristic (ROC) analysis was used to assess the classification performance of individual features and the NCP score. The overall detection performance was estimated by free response ROC (FROC) analysis. Results: With our TSG prescreening method, a prescreening sensitivity of 92.5% (111/120) was achieved with a total of 1181 FPs (14.2 FPs/scan). On average, six features
NASA Astrophysics Data System (ADS)
Gonga-Saholiariliva, Nahossio; Gunnell, Yanni; Harbor, David; Mering, Catherine
2011-11-01
The study of abrupt changes in longitudinal river profiles, or knickpoints, is currently approached through an empirical power law: the slope-area relationship. Results based on digital elevation model (DEM) analyses and stream extractions are generally intended to determine crustal uplift rates and identify transient landscape conditions. In this article, we present an alternative geomorphometric method for locating knickpoints and knickzones based on local slope gradient and curvature attributes. Intended as a rapid, regional scale, automated knickpoint detection technique, the accuracy of this slope-curvature method is tested on two digital elevation grids, NASA's SRTM (ground resolution of 90 m, resampled here to 75 m) and the ASTER DEM (15 m) in the Sierra Nacimiento (New Mexico, USA), a basement-cored mountain range recently exhumed by waves of headward drainage integration in response to remote tectonic deformation in the adjacent Rio Grande rift. Out of every 10 gradient anomalies detected by the SRTM-derived numeric routine, up to 8 are certifiable knickpoints recognized among a population of georeferenced occurrences surveyed in the field. An independent comparison with the slope-area method provided a further accuracy test, which was particularly useful at sites that could not be validated in the field for practical reasons. Given the low tectonic activity of the study area, the majority of knickpoints was also found to coincide with lithologic boundaries, making it difficult without further geomorphological data to single out dynamic knickpoints directly caused by the upstream propagation of channel instabilities relating to base level change.
Correlated displacement- T2 MRI by means of a Pulsed Field Gradient-Multi Spin Echo method
NASA Astrophysics Data System (ADS)
Windt, Carel W.; Vergeldt, Frank J.; Van As, Henk
2007-04-01
A method for correlated displacement- T2 imaging is presented. A Pulsed Field Gradient-Multi Spin Echo (PFG-MSE) sequence is used to record T2 resolved propagators on a voxel-by-voxel basis, making it possible to perform single voxel correlated displacement- T2 analyses. In spatially heterogeneous media the method thus gives access to sub-voxel information about displacement and T2 relaxation. The sequence is demonstrated using a number of flow conducting model systems: a tube with flowing water of variable intrinsic T2's, mixing fluids of different T2's in an "X"-shaped connector, and an intact living plant. PFG-MSE can be applied to yield information about the relation between flow, pore size and exchange behavior, and can aid volume flow quantification by making it possible to correct for T2 relaxation during the displacement labeling period Δ in PFG displacement imaging methods. Correlated displacement- T2 imaging can be of special interest for a number of research subjects, such as the flow of liquids and mixtures of liquids or liquids and solids moving through microscopic conduits of different sizes (e.g., plants, porous media, bioreactors, biomats).
Correlated displacement-T2 MRI by means of a Pulsed Field Gradient-Multi Spin Echo Method.
Windt, Carel W; Vergeldt, Frank J; Van As, Henk
2007-04-01
A method for correlated displacement-T2 imaging is presented. A Pulsed Field Gradient-Multi Spin Echo (PFG-MSE) sequence is used to record T2 resolved propagators on a voxel-by-voxel basis, making it possible to perform single voxel correlated displacement-T2 analyses. In spatially heterogeneous media the method thus gives access to sub-voxel information about displacement and T2 relaxation. The sequence is demonstrated using a number of flow conducting model systems: a tube with flowing water of variable intrinsic T2's, mixing fluids of different T2's in an "X"-shaped connector, and an intact living plant. PFG-MSE can be applied to yield information about the relation between flow, pore size and exchange behavior, and can aid volume flow quantification by making it possible to correct for T2 relaxation during the displacement labeling period Delta in PFG displacement imaging methods. Correlated displacement-T2 imaging can be of special interest for a number of research subjects, such as the flow of liquids and mixtures of liquids or liquids and solids moving through microscopic conduits of different sizes (e.g., plants, porous media, bioreactors, biomats). PMID:17236795
NASA Technical Reports Server (NTRS)
Barkeshli, Kasra; Volakis, John L.
1991-01-01
The theoretical and computational aspects related to the application of the Conjugate Gradient FFT (CGFFT) method in computational electromagnetics are examined. The advantages of applying the CGFFT method to a class of large scale scattering and radiation problems are outlined. The main advantages of the method stem from its iterative nature which eliminates a need to form the system matrix (thus reducing the computer memory allocation requirements) and guarantees convergence to the true solution in a finite number of steps. Results are presented for various radiators and scatterers including thin cylindrical dipole antennas, thin conductive and resistive strips and plates, as well as dielectric cylinders. Solutions of integral equations derived on the basis of generalized impedance boundary conditions (GIBC) are also examined. The boundary conditions can be used to replace the profile of a material coating by an impedance sheet or insert, thus, eliminating the need to introduce unknown polarization currents within the volume of the layer. A general full wave analysis of 2-D and 3-D rectangular grooves and cavities is presented which will also serve as a reference for future work.
Guidez, Emilie B; Xu, Peng; Gordon, Mark S
2016-02-01
The dispersion interaction energy may be expressed as a sum over R(-n) terms, with n ≥ 6. Most implementations of the dispersion interaction in model potentials are terminated at n = 6. Those implementations that do include higher order contributions commonly only include even power terms, despite the fact that odd power terms can be important. Because the effective fragment potential (EFP) method contains no empirically fitted parameters, the EFP method provides a useful vehicle for examining the importance of the leading R(-7) odd power term in the dispersion expansion. To fully evaluate the importance of the R(-7) contribution to the dispersion energy, it is important to have analytic energy first derivatives for all terms. In the present work, the gradients of the term E7 ∼ R(-7) are derived analytically, implemented in the GAMESS software package, and evaluated relative to other terms in the dispersion expansion and relative to the total EFP interaction energy. Periodic boundary conditions in the minimum image convention are also implemented. A more accurate dispersion energy contribution can now be obtained during molecular dynamics simulations. PMID:26745447
NASA Astrophysics Data System (ADS)
Xu, Zhengwei
Modeling of induced polarization (IP) phenomena is important for developing effective methods for remote sensing of subsurface geology and is widely used in mineral exploration. However, the quantitative interpretation of IP data in a complex 3D environment is still a challenging problem of applied geophysics. In this dissertation I use the regularized conjugate gradient method to determine the 3D distribution of the four parameters of the Cole-Cole model based on surface induced polarization (IP) data. This method takes into account the nonlinear nature of both electromagnetic induction (EMI) and IP phenomena. The solution of the 3D IP inverse problem is based on the regularized smooth inversion only. The method was tested on synthetic models with DC conductivity, intrinsic chargeability, time constant, and relaxation parameters, and it was also applied to the practical 3D IP survey data. I demonstrate that the four parameters of the Cole-Cole model, DC electrical resistivity, rho 0 , chargeability, eta time constant, tau and the relaxation parameter, C, can be recovered from the observed IP data simultaneously. There are four Cole-Cole parameters involved in the inversion, in other words, within each cell, there are DC conductivity (sigma0 ), chargeability (eta), time parameters (tau), and relaxation parameters (C) compared to conductivity only, used in EM only inversion. In addition to more inversion parameters used in IP survey, dipole-dipole configuration which requires more sources and receivers. One the other hand, calculating Green tensor and Frechet matrix time consuming and storing them requires a lot of memory. So, I develop parallel computation using MATLAB parallel tool to speed up the calculation.
Sanders, David M.; Decker, Derek E.
1999-01-01
Optical patterns and lithographic techniques are used as part of a process to embed parallel and evenly spaced conductors in the non-planar surfaces of an insulator to produce high gradient insulators. The approach extends the size that high gradient insulating structures can be fabricated as well as improves the performance of those insulators by reducing the scale of the alternating parallel lines of insulator and conductor along the surface. This fabrication approach also substantially decreases the cost required to produce high gradient insulators.
Al/Al-N/AlN compositional gradient film synthesized by ion-beam assisted deposition method
Amamoto, Yoshiki; Uchiyama, Shingo; Watanabe, Yoshihisa; Nakamura, Yoshikazu
1997-12-01
Al/Al-N-AlN compositional gradient thin film was deposited on a Si(100) substrate at room temperature by ion-beam assisted deposition method, with a diminishing ion beam current from 1.4 to 0 mA at increments of 0.3 mA in order to gradually decrease the nitrogen to aluminum ratio at the substrate. The gradual Al and AlN variation in composition was shown by the change of the Al/N atomic ratio analyzed by the energy dispersive X-ray spectroscopy (EDX) and the X-ray photoelectron spectroscopy (XPS) in the cross section of the film. The formation of crystalline Al metal and AlN ceramic layer on the Si substrate was revealed by X-ray diffraction (XRD). The cross sectional image taken by high resolution transmission electron microscope (HRTEM) showed a nano-sized crystalline Al-N ceramic material and the flat interface between the Si substrate and the AlN film.
NASA Astrophysics Data System (ADS)
Mohammadpour, Mozhdeh; Jamshidi, Zahra
2016-05-01
The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation.
Mohammadpour, Mozhdeh; Jamshidi, Zahra
2016-05-21
The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation. PMID:27208944
Wei, Wenbo; Jia, Guang; Flanigan, David; Zhou, Jinyuan; Knopp, Michael V
2014-01-01
Glycosaminoglycan Chemical Exchange Saturation Transfer (gagCEST) is an important molecular MRI methodology developed to assess changes in cartilage GAG concentrations. The correction for B0 field inhomogeneity is technically crucial in gagCEST imaging. This study evaluates the accuracy of the B0 estimation determined by the dual gradient echo method and the effect on gagCEST measurements. The results were compared with those from the commonly used z-spectrum method. Eleven knee patients and three healthy volunteers were scanned. Dual gradient echo B0 maps with different ∆TE values (1, 2, 4, 8, and 10 ms) were acquired. The asymmetry of the magnetization transfer ratio at 1 ppm offset referred to the bulk water frequency, MTRasym(1 ppm), was used to quantify cartilage GAG levels. The B0 shifts for all knee patients using the z-spectrum and dual gradient echo methods are strongly correlated for all ∆TE values used (r = 0.997 to 0.786, corresponding to ∆TE = 10 to 1 ms). The corrected MTRasym(1 ppm) values using the z-spectrum method (1.34% ± 0.74%) highly agree only with those using the dual gradient echo methods with ∆TE = 10 ms (1.72% ± 0.80%; r = 0.924) and 8 ms (1.50% ± 0.82%; r = 0.712). The dual gradient echo method with longer ∆TE values (more than 8 ms) has an excellent correlation with the z-spectrum method for gagCEST imaging at 3T. PMID:24119460
Liu, Jiaen; Zhang, Xiaotong; Schmitter, Sebastian; Van de Moortele, Pierre-Francois; He, Bin
2014-01-01
Purpose To develop high-resolution electrical properties tomography (EPT) methods and investigate a gradient-based EPT (gEPT) approach which aims to reconstruct the electrical properties (EP), including conductivity and permittivity, of an imaged sample from experimentally measured B1 maps with improved boundary reconstruction and robustness against measurement noise. Theory and Methods Using a multi-channel transmit/receive stripline head coil, with acquired B1 maps for each coil element, by assuming negligible Bz component compared to transverse B1 components, a theory describing the relationship between B1 field, EP value and their spatial gradient has been proposed. The final EP images were obtained through spatial integration over the reconstructed EP gradient. Numerical simulation, physical phantom and in vivo human experiments at 7 T have been conducted to evaluate the performance of the proposed methods. Results Reconstruction results were compared with target EP values in both simulations and phantom experiments. Human experimental results were compared with EP values in literature. Satisfactory agreement was observed with improved boundary reconstruction. Importantly, the proposed gEPT method proved to be more robust against noise when compared to previously described non-gradient-based EPT approaches. Conclusion The proposed gEPT approach holds promises to improve EP mapping quality by recovering the boundary information and enhancing robustness against noise. PMID:25213371
Peter W. Carr; K.M. Fuller; D.R. Stoll; L.D. Steinkraus; M.S. Pasha; Glenn G. Hardin
2005-12-30
A new approach has been developed by modifying a conventional gradient elution liquid chromatograph for the high throughput screening of biological samples to detect the presence of regulated intoxicants. The goal of this work was to improve the speed of a gradient elution screening method over current approaches by optimizing the operational parameters of both the column and the instrument without compromising the reproducibility of the retention times, which are the basis for the identification. Most importantly, the novel instrument configuration substantially reduces the time needed to re-equilibrate the column between gradient runs, thereby reducing the total time for each analysis. The total analysis time for each gradient elution run is only 2.8 minutes, including 0.3 minutes for column reequilibration between analyses. Retention times standard calibration solutes are reproducible to better than 0.002 minutes in consecutive runs. A corrected retention index was adopted to account for day-to-day and column-to-column variations in retention time. The discriminating power and mean list length were calculated for a library of 47 intoxicants and compared with previous work from other laboratories to evaluate fast gradient elution HPLC as a screening tool.
NASA Astrophysics Data System (ADS)
Delcey, Mickaël G.; Pedersen, Thomas Bondo; Aquilante, Francesco; Lindh, Roland
2015-07-01
An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.
Delcey, Mickaël G.; Pedersen, Thomas Bondo; Aquilante, Francesco; Lindh, Roland
2015-07-28
An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.
NASA Technical Reports Server (NTRS)
Hornung, Hans; Seto, Jeffrey
1991-01-01
A new, robust oil film skin friction meter was designed and constructed. This enables skin friction measurements remotely and from within the model, as well as avoiding the need to know the location of the leading edge of the film. The instrument was tested by comparing measurements with those given by a floating element gage in a zero pressure gradient flat plate turbulent boundary layer. Both instruments agreed satisfactorily with the well-known curve for this case. Significant discrepancies between the two instruments were observed in the case of adverse and favorable pressure gradients. The discrepancies were of opposite sign for opposite-sign pressure gradients as is consistent with the error expected from floating-element gages. Additional confidence in the oil film technique is supplied by the good agreement of the behavior of the film profile with predictions from lubrication theory.
Mathieu, Jean-Baptiste; Beaudoin, Gilles; Martel, Sylvain
2006-02-01
This paper reports the use of a magnetic resonance imaging (MRI) system to propel a ferromagnetic core. The concept was studied for future development of microdevices designed to perform minimally invasive interventions in remote sites accessible through the human cardiovascular system. A mathematical model is described taking into account various parameters such as the size of blood vessels, the velocities and viscous properties of blood, the magnetic properties of the materials, the characteristics of MRI gradient coils, as well as the ratio between the diameter of a spherical core and the diameter of the blood vessels. The concept of magnetic propulsion by MRI is validated experimentally by measuring the flow velocities that magnetized spheres (carbon steel 1010/1020) can withstand inside cylindrical tubes under the different magnetic forces created with a Siemens Magnetom Vision 1.5 T MRI system. The differences between the velocities predicted by the theoretical model and the experiments are approximately 10%. The results indicate that with the technology available today for gradient coils used in clinical MRI systems, it is possible to generate sufficient gradients to propel a ferromagnetic sphere in the larger sections of the arterial system. In other words, the results show that in the larger blood vessels where the diameter of the microdevices could be as large as a couple a millimeters, the few tens of mT/m of gradients required for displacement against the relatively high blood flow rate is well within the limits of clinical MRI systems. On the other hand, although propulsion of a ferromagnetic core with diameter of approximately 600 microm may be possible with existing clinical MRI systems, gradient amplitudes of several T/m would be required to propel a much smaller ferromagnetic core in small vessels such as capillaries and additional gradient coils would be required to upgrade existing MRI systems for operations at such a scale. PMID:16485758
NASA Technical Reports Server (NTRS)
Morduchow, Morris
1955-01-01
A survey of integral methods in laminar-boundary-layer analysis is first given. A simple and sufficiently accurate method for practical purposes of calculating the properties (including stability) of the laminar compressible boundary layer in an axial pressure gradient with heat transfer at the wall is presented. For flow over a flat plate, the method is applicable for an arbitrarily prescribed distribution of temperature along the surface and for any given constant Prandtl number close to unity. For flow in a pressure gradient, the method is based on a Prandtl number of unity and a uniform wall temperature. A simple and accurate method of determining the separation point in a compressible flow with an adverse pressure gradient over a surface at a given uniform wall temperature is developed. The analysis is based on an extension of the Karman-Pohlhausen method to the momentum and the thermal energy equations in conjunction with fourth- and especially higher degree velocity and stagnation-enthalpy profiles.
NASA Technical Reports Server (NTRS)
Thompson, J. F.; Mcwhorter, J. C.; Siddiqi, S. A.; Shanks, S. P.
1973-01-01
Numerical methods of integration of the equations of motion of a controlled satellite under the influence of gravity-gradient torque are considered. The results of computer experimentation using a number of Runge-Kutta, multi-step, and extrapolation methods for the numerical integration of this differential system are presented, and particularly efficient methods are noted. A large bibliography of numerical methods for initial value problems for ordinary differential equations is presented, and a compilation of Runge-Kutta and multistep formulas is given. Less common numerical integration techniques from the literature are noted for further consideration.
Dance, M; Chera, B; Falchook, A; Das, S; Lian, J
2015-06-15
Purpose: Validate the consistency of a gradient-based segmentation tool to facilitate accurate delineation of PET/CT-based GTVs in head and neck cancers by comparing against hybrid PET/MR-derived GTV contours. Materials and Methods: A total of 18 head and neck target volumes (10 primary and 8 nodal) were retrospectively contoured using a gradient-based segmentation tool by two observers. Each observer independently contoured each target five times. Inter-observer variability was evaluated via absolute percent differences. Intra-observer variability was examined by percentage uncertainty. All target volumes were also contoured using the SUV percent threshold method. The thresholds were explored case by case so its derived volume matched with the gradient-based volume. Dice similarity coefficients (DSC) were calculated to determine overlap of PET/CT GTVs and PET/MR GTVs. Results: The Levene’s test showed there was no statistically significant difference of the variances between the observer’s gradient-derived contours. However, the absolute difference between the observer’s volumes was 10.83%, with a range from 0.39% up to 42.89%. PET-avid regions with qualitatively non-uniform shapes and intensity levels had a higher absolute percent difference near 25%, while regions with uniform shapes and intensity levels had an absolute percent difference of 2% between observers. The average percentage uncertainty between observers was 4.83% and 7%. As the volume of the gradient-derived contours increased, the SUV threshold percent needed to match the volume decreased. Dice coefficients showed good agreement of the PET/CT and PET/MR GTVs with an average DSC value across all volumes at 0.69. Conclusion: Gradient-based segmentation of PET volume showed good consistency in general but can vary considerably for non-uniform target shapes and intensity levels. PET/CT-derived GTV contours stemming from the gradient-based tool show good agreement with the anatomically and
NASA Astrophysics Data System (ADS)
Rama, María. Angeles; Pérez, María. Victoria; Bao, Carmen; Flores-Arias, María. Teresa; Gómez-Reino, Carlos
2005-05-01
Gradient-index (GRIN) models of the human lens have received wide attention in optometry and vision sciences for considering the effect of inhomogeneity of the refractive index on the optical properties of the lens. This paper uses the continuous asymmetric bi-elliptical model to determine analytically cardinal elements, magnifications and refractive power of the lens by the axial and field rays in order to study the paraxial light propagation through the human lens from its GRIN nature.
NASA Astrophysics Data System (ADS)
Delboni, L. F.; Iulek, J.; Burger, R.; da Silva, A. C. R.; Moreno, A.
2002-02-01
The expression, purification, crystallization, and characterization by X-ray diffraction of α-amylase are described here. Dynamic and static light scattering methods with a temperature controller was used to optimize the crystallization conditions of α-amylase from Bacillus stearothermophilus an important enzyme in many fields of industrial activity. After applying thermal gradients for growing crystals, X-ray cryo-crystallographic methods were employed for the data collection. Crystals grown by these thermal-gradients diffracted up to a maximum resolution of 3.8 Å, which allowed the determination of the unit cell constants as follows: a=61.7 Å, b=86.7 Å, c=92.2 Å and space group C222 (or C222 1).
Jensen, Stephanie M; Nguyen, Celina T; Jewett, John C
2016-09-01
Dengue virus (DENV) is a mosquito-transmitted flavivirus that infects approximately 100 million people annually. Multi-day protocols for purification of DENV reduce the infective titer due to viral sensitivity to both temperature and pH. Herein we describe a 5-h protocol for the purification of all DENV serotypes, utilizing traditional gradient-free ultracentrifugation followed by selective virion precipitation. This protocol allows for the separation of DENV from contaminating proteins - including intact C6/36 densovirus, for the production of infective virus at high concentration for protein-level analysis. PMID:27265428
Harris, C T; Haw, D W; Handler, W B; Chronik, B A
2013-06-21
The time-varying magnetic fields created by the gradient coils in magnetic resonance imaging can produce negative effects on image quality and the system itself. Additionally, they can be a limiting factor to the introduction of non-MR devices such as cardiac pacemakers, orthopedic implants, and surgical robotics. The ability to model the induced currents produced by the switching gradient fields is key to developing methods for reducing these unwanted interactions. In this work, a framework for the calculation of induced currents on conducting surface geometries is summarized. This procedure is then compared to two separate experiments: (1) the analysis of the decay of currents induced upon a conducting cylinder by an insert gradient set within a head only 7 T MR scanner; and (2) analysis of the heat deposited into a small conductor by a uniform switching magnetic field at multiple frequencies and two distinct conductor thicknesses. The method was shown to allow the accurate modeling of the induced time-varying field decay in the first case, and was able to provide accurate estimation of the rise in temperature in the second experiment to within 30% when the skin depth was greater than or equal to the thickness of the conductor. PMID:23739174
NASA Astrophysics Data System (ADS)
Harris, C. T.; Haw, D. W.; Handler, W. B.; Chronik, B. A.
2013-06-01
The time-varying magnetic fields created by the gradient coils in magnetic resonance imaging can produce negative effects on image quality and the system itself. Additionally, they can be a limiting factor to the introduction of non-MR devices such as cardiac pacemakers, orthopedic implants, and surgical robotics. The ability to model the induced currents produced by the switching gradient fields is key to developing methods for reducing these unwanted interactions. In this work, a framework for the calculation of induced currents on conducting surface geometries is summarized. This procedure is then compared to two separate experiments: (1) the analysis of the decay of currents induced upon a conducting cylinder by an insert gradient set within a head only 7 T MR scanner; and (2) analysis of the heat deposited into a small conductor by a uniform switching magnetic field at multiple frequencies and two distinct conductor thicknesses. The method was shown to allow the accurate modeling of the induced time-varying field decay in the first case, and was able to provide accurate estimation of the rise in temperature in the second experiment to within 30% when the skin depth was greater than or equal to the thickness of the conductor.
NASA Technical Reports Server (NTRS)
Rendell, Alistair P.; Lee, Timothy J.
1991-01-01
The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.
NASA Astrophysics Data System (ADS)
Fallenius, Bengt; Sattarzadeh, Sohrab; Downs, Robert; Shahinfar, Shahab; Fransson, Jens
2015-11-01
Over the last decade wind tunnel experiments and numerical simulations have shown that steady spanwise mean velocity gradients are able to attenuate the growth of different types of boundary layer disturbances. Within the AFRODITE research program different techniques to setup the spanwise mean velocity variations have been studied and their stabilizing effect leading to transition delay quantified. A successful boundary-layer modulator for transition delay has turned out to be the miniature-vortex generator and has been well documented during the past years. More recent ideas of setting up spanwise mean velocity gradients will be presented here. We show that, the non-linear interaction between a pair of oblique disturbance waves creating a streaky base flow, as well as the direct surface modulation by means of applying wavy surfaces in the spanwise direction, can both successfully be utilized for transition delay and hence skin-friction drag reduction. The European Research Council is gratefully acknowledged (ERC-StG-2010- 258339).
NASA Technical Reports Server (NTRS)
Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.
1998-01-01
We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.
Klett, James W [Knoxville, TN; Cameron, Christopher Stan [Sanford, NC
2010-03-02
A carbon based foam article is made by heating the surface of a carbon foam block to a temperature above its graphitizing temperature, which is the temperature sufficient to graphitize the carbon foam. In one embodiment, the surface is heated with infrared pulses until heat is transferred from the surface into the core of the foam article such that the graphitizing temperature penetrates into the core to a desired depth below the surface. The graphitizing temperature is maintained for a time sufficient to substantially entirely graphitize the portion of the foam article from the surface to the desired depth below the surface. Thus, the foam article is an integral monolithic material that has a desired conductivity gradient with a relatively high thermal conductivity in the portion of the core that was graphitized and a relatively low thermal conductivity in the remaining portion of the foam article.
Connan, O; Maro, D; Hébert, D; Solier, L; Caldeira Ideas, P; Laguionie, P; St-Amant, N
2015-10-01
The behaviour of tritium in the environment is linked to the water cycle. We compare three methods of calculating the tritium evapotranspiration flux from grassland cover. The gradient and eddy covariance methods, together with a method based on the theoretical Penmann-Monteith model were tested in a study carried out in 2013 in an environment characterised by high levels of tritium activity. The results show that each of the three methods gave similar results. The various constraints applying to each method are discussed. The results show a tritium evapotranspiration flux of around 15 mBq m(-2) s(-1) in this environment. These results will be used to improve the entry parameters for the general models of tritium transfers in the environment. PMID:26091609
Gradient boosting machines, a tutorial.
Natekin, Alexey; Knoll, Alois
2013-01-01
Gradient boosting machines are a family of powerful machine-learning techniques that have shown considerable success in a wide range of practical applications. They are highly customizable to the particular needs of the application, like being learned with respect to different loss functions. This article gives a tutorial introduction into the methodology of gradient boosting methods with a strong focus on machine learning aspects of modeling. A theoretical information is complemented with descriptive examples and illustrations which cover all the stages of the gradient boosting model design. Considerations on handling the model complexity are discussed. Three practical examples of gradient boosting applications are presented and comprehensively analyzed. PMID:24409142
Gradient boosting machines, a tutorial
Natekin, Alexey; Knoll, Alois
2013-01-01
Gradient boosting machines are a family of powerful machine-learning techniques that have shown considerable success in a wide range of practical applications. They are highly customizable to the particular needs of the application, like being learned with respect to different loss functions. This article gives a tutorial introduction into the methodology of gradient boosting methods with a strong focus on machine learning aspects of modeling. A theoretical information is complemented with descriptive examples and illustrations which cover all the stages of the gradient boosting model design. Considerations on handling the model complexity are discussed. Three practical examples of gradient boosting applications are presented and comprehensively analyzed. PMID:24409142
NASA Astrophysics Data System (ADS)
Acevedo, Pedro; Vázquez, Mónica; Durán, Joel; Petrearce, Rodolfo
A simulation case is presented using the Finite Element Method (FEM) to simulate the performance of PVDF arrays to measure temperature gradients through the determination of phase shifts, i.e. time shifts of the waveform of the echo due to a change in the speed of propagation of ultrasound as a result of a change in temperature, they can be interpreted as phase shifts in the frequency domain. Making it possible to determine the change in temperature from the phase shifts; in a medium of propagation previously characterized.
Parameter-exploring policy gradients.
Sehnke, Frank; Osendorfer, Christian; Rückstiess, Thomas; Graves, Alex; Peters, Jan; Schmidhuber, Jürgen
2010-05-01
We present a model-free reinforcement learning method for partially observable Markov decision problems. Our method estimates a likelihood gradient by sampling directly in parameter space, which leads to lower variance gradient estimates than obtained by regular policy gradient methods. We show that for several complex control tasks, including robust standing with a humanoid robot, this method outperforms well-known algorithms from the fields of standard policy gradients, finite difference methods and population based heuristics. We also show that the improvement is largest when the parameter samples are drawn symmetrically. Lastly we analyse the importance of the individual components of our method by incrementally incorporating them into the other algorithms, and measuring the gain in performance after each step. PMID:20061118
Sakamaki, Hiroshi; Uchida, Takeharu; Lim, Lee Wah; Takeuchi, Toyohide
2015-01-01
Columns made of three different materials were evaluated with regard to the carryover of phosphorylated peptides and fumonisins in liquid chromatography/tandem mass spectrometry (LC/MS/MS). In order to eliminate carryover caused by the injection operation in the autosampler, the column carryover was calculated using the duplicated solvent gradient method. A column made of a glass-lined stainless-steel tube and polyethylene frits (GL-PE column) yielded the most significant improvements in the peak shape and the carryover as compared to the other columns. The carryover of fumonisin B1 (FB1) and HLADLSpK (T19p) in the GL-PE column could be reduced; the lower limit of quantitation of T19p, and the range of the calibration curve were also improved. Since carryover peaks with the GL-PE column were symmetrical peaks of the samples, carryover in the column did not occur. The carryover calculated by the duplicated solvent gradient method corresponded to those in the flow path from the injection port to the inlet frit of the column. The carryover value of FB1 in the column with a stainless-steel tube and stainless-steel frits (S-S column) was 1.70%, and that of the flow path was 0.23%. We found that the majority of the carryover in our system occurred in the S-S column. PMID:25746806
NASA Astrophysics Data System (ADS)
Scuseria, Gustavo E.
1991-01-01
The analytic energy gradient for the singles and doubles coupled cluster method including a perturbative correction due to triple excitations [CCSD(T)] is formulated and computationally implemented. Encouraged by the recent success in reproducing the experimental equilibrium structure and vibrational frequencies of ozone, the new CCSD(T) gradient method is tested with two other ``difficult'' quantum chemistry problems: FOOF and Cr2. With the largest basis set employed in this work [triple zeta plus two sets of polarization functions (TZ2Pf)] at the CCSD(T) level of theory, the predictions for the O-O and O-F bond lengths in FOOF are 1.218 and 1.589 Å, respectively. These figures are in good agreement with the experimental values 1.216 and 1.575 Å. Based on CCSD calculations with even larger basis sets, it is concluded that the error of 0.014 Å in the O-F bond length at the TZ2Pf/CCSD(T) level of theory is due to the remaining basis set deficiency. On the other hand, the CCSD(T) prediction for the equilibrium bond length of Cr2 (1.604 Å), obtained with a large (10s8p3d2f1g) basis set capable of achieving the Hartree-Fock limit, is still 0.075 Å shorter than experiment, clearly indicating the importance of higher than connected triple excitations in a single-reference treatment of this particular problem.
Gubernator, Jerzy; Lipka, Dominik; Korycińska, Mariola; Kempińska, Katarzyna; Milczarek, Magdalena; Wietrzyk, Joanna; Hrynyk, Rafał; Barnert, Sabine; Süss, Regine; Kozubek, Arkadiusz
2014-01-01
Liposomes act as efficient drug carriers. Recently, epirubicin (EPI) formulation was developed using a novel EDTA ion gradient method for drug encapsulation. This formulation displayed very good stability and drug retention in vitro in a two-year long-term stability experiment. The cryo-TEM images show drug precipitate structures different than ones formed with ammonium sulfate method, which is usually used to encapsulate anthracyclines. Its pharmacokinetic properties and its efficacy in the human breast MDA-MB-231 cancer xenograft model were also determined. The liposomal EPI formulation is eliminated slowly with an AUC of 7.6487, while the free drug has an AUC of only 0.0097. The formulation also had a much higher overall antitumor efficacy than the free drug. PMID:24621591
NASA Astrophysics Data System (ADS)
Canning, Andrew; Raczkowski, David; Leung, Mary Ann; Wang, Lin-Wang; An, Joonhee; van Hove, Michel A.
2003-03-01
We will present the Grassman-metal conjugate gradient (GMCG) method for iterative diagonalization for the solution of the Kohn-Sham equations with a plane wave basis set. This is an all-bands method with variable occupancy for iterative diagonalization at fixed charge density. We will then present some results for sandwiches of Co, Cu and Ni systems which exhibit quantum well states. In particular we will show the effect of a single Ni layer at different positions on Quantum well states in a Co/Cu system. We have found that these systems are extremely difficult to converge without the use of the Grassman-metal approach. (This work was supported by the Director, Office of Advanced Scientific Computing Research, Division of Mathematical, Information and Computational Sciences of the U.S. Department of Energy and the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under contract number DE-AC03-76SF00098)
NASA Technical Reports Server (NTRS)
Bertram, Mitchel H.; Feller, William V.
1959-01-01
A procedure based on the method of similar solutions is presented by which the skin friction, heat transfer, and boundary-layer thickness in a laminar hypersonic flow with pressure gradient may be rapidly evaluated if the pressure distribution is known. This solution, which at present is. restricted to power-law variations of pressure with surface distance, is presented for a wide range of exponents in the power law corresponding to both favorable and adverse pressure gradients. This theory has been compared to results from heat-transfer experiments on blunt-nose flat plates and a hemisphere cylinder at free-stream Mach numbers of 4 and 6.8. The flat-plate experiments included tests made at a Mach number of 6.8 over a range of angle of attack of +/- 10 deg. Reasonable agreement of the experimental and theoretical heat-transfer coefficients has been obtained as well as good correlation of the experimental results over the entire range of angle of attack studied. A similar comparison of theory with experiment was not feasible for boundary-layer-thickness data; however, the hypersonic similarity theory was found to account satisfactorily for the variation in boundary-layer thickness due to local pressure distribution for several sets of measurements.
Nagata, Takeshi; Fedorov, Dmitri G; Li, Hui; Kitaura, Kazuo
2012-05-28
A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed. PMID:22667545
Arcisauskaite, Vaida; Knecht, Stefan; Sauer, Stephan P A; Hemmingsen, Lars
2012-12-14
We examine the performance of Density Functional Theory (DFT) approaches based on the Zeroth-Order Regular Approximation (ZORA) Hamiltonian (with and without inclusion of spin-orbit coupling) for predictions of electric field gradients (EFGs) at the heavy atom Hg nucleus. This is achieved by comparing with benchmark DFT and CCSD-T data (Arcisauskaite et al., Phys. Chem. Chem. Phys., 2012, 14, 2651-2657) obtained from 4-component Dirac-Coulomb Hamiltonian calculations. The investigated set of molecules comprises linear HgL(2) (L = Cl, Br, I, CH(3)) and bent HgCl(2) mercury compounds as well as the trigonal planar [HgCl(3)](-) system. In 4-component calculations we used the dyall.cv3z basis set for Hg, Br, I and the cc-pCVTZ basis set for H, C, Cl, whereas in ZORA calculations we used the QZ4P basis set for all the atoms. ZORA-4 reproduces the fully relativistic 4-component DFT reference values within 6% for all studied Hg compounds and employed functionals (BH&H, BP86, PBE0), whereas scalar relativistic (SR)-ZORA-4 results show deviations of up to 15%. Compared to our 4-component CCSD-T benchmark the BH&H functional performs best at both 4-component and ZORA levels. We furthermore observe that changes in the largest component of the diagonalised EFG tensor, V(zz), of linear HgCl(2) show a slightly stronger dependence than the r(-3) scaling upon bond length r(Hg-Cl) alterations. The 4-component/BH&H V(zz) value of -9.26 a.u. for a bent HgCl(2) (∠Cl-Hg-Cl = 120°) is close to -9.60 a.u. obtained for the linear HgCl(2) structure. Thus a point charge model for EFG calculations completely fails in this case. By means of a projection analysis of molecular orbital (MO) contributions to V(zz) in terms of the atomic constituents, we conclude that this is due to the increased importance of the Hg 5d orbitals upon bending HgCl(2) compared to the linear HgCl(2) structure. Changing ligand leads to only minor changes in V(zz) (from -9.60 a.u. (HgCl(2)) to -8.85 a.u. (HgI(2)) at
On gradient field theories: gradient magnetostatics and gradient elasticity
NASA Astrophysics Data System (ADS)
Lazar, Markus
2014-09-01
In this work, the fundamentals of gradient field theories are presented and reviewed. In particular, the theories of gradient magnetostatics and gradient elasticity are investigated and compared. For gradient magnetostatics, non-singular expressions for the magnetic vector gauge potential, the Biot-Savart law, the Lorentz force and the mutual interaction energy of two electric current loops are derived and discussed. For gradient elasticity, non-singular forms of all dislocation key formulas (Burgers equation, Mura equation, Peach-Koehler stress equation, Peach-Koehler force equation, and mutual interaction energy of two dislocation loops) are presented. In addition, similarities between an electric current loop and a dislocation loop are pointed out. The obtained fields for both gradient theories are non-singular due to a straightforward and self-consistent regularization.
Folta, James A.; Montcalm, Claude; Walton, Christopher
2003-01-01
A method and system for producing a thin film with highly uniform (or highly accurate custom graded) thickness on a flat or graded substrate (such as concave or convex optics), by sweeping the substrate across a vapor deposition source with controlled (and generally, time-varying) velocity. In preferred embodiments, the method includes the steps of measuring the source flux distribution (using a test piece that is held stationary while exposed to the source), calculating a set of predicted film thickness profiles, each film thickness profile assuming the measured flux distribution and a different one of a set of sweep velocity modulation recipes, and determining from the predicted film thickness profiles a sweep velocity modulation recipe which is adequate to achieve a predetermined thickness profile. Aspects of the invention include a practical method of accurately measuring source flux distribution, and a computer-implemented method employing a graphical user interface to facilitate convenient selection of an optimal or nearly optimal sweep velocity modulation recipe to achieve a desired thickness profile on a substrate. Preferably, the computer implements an algorithm in which many sweep velocity function parameters (for example, the speed at which each substrate spins about its center as it sweeps across the source) can be varied or set to zero.
NASA Technical Reports Server (NTRS)
Heier, W. C. (Inventor)
1974-01-01
A method is described for compression molding of thermosetting plastics composition. Heat is applied to the compressed load in a mold cavity and adjusted to hold molding temperature at the interface of the cavity surface and the compressed compound to produce a thermal front. This thermal front advances into the evacuated compound at mean right angles to the compression load and toward a thermal fence formed at the opposite surface of the compressed compound.
Ishida, Mayumi; Toyota, Kazuo; Ehara, Masahiro; Frisch, Michael J; Nakatsuji, Hiroshi
2004-02-01
A method of calculating analytical energy gradients of the singlet and triplet excited states, ionized states, electron-attached states, and high-spin states from quartet to septet states by the symmetry-adapted-cluster configuration-interaction general-R method is developed and implemented. This method is a powerful tool in the studies of geometries, dynamics, and properties of the states of molecules in which not only one-electron processes but also two- and multielectron processes are involved. The performance of the present method was confirmed by calculating the geometries and the spectroscopic constants of the diatomic and polyatomic molecules in various electronic states involving the ground state and the one- to three-electron excited states. The accurate descriptions were obtained for the equilibrium geometries, vibrational frequencies, and adiabatic excitation energies, which show the potential usefulness of the present method. The particularly interesting applications were to the C' 1Ag state of acetylene, the A 2Deltau and B 2Sigmau+ states of CNC and the 4B1 and a 4Piu states of N3 radical. PMID:15268403
NASA Astrophysics Data System (ADS)
Pattanaboonmee, N.; Ramasamy, P.; Yimnirun, R.; Manyum, P.
2011-01-01
Single crystals of pure, L-arginine and glycine doped ammonium dihydrogen orthophosphate (ADP) were grown by both the slow solvent evaporation method and the temperature-gradient method of Sankaranarayanan-Ramasamy (SR). The metastable zone width for different saturation temperatures of pure glycine and L-arginine added solutions were carried out. The grown crystals were characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), powder X-ray diffraction (XRD), optical transmission, dielectric constant, dielectric loss, and Vickers microhardness. The DSC and TG curves of the grown crystals indicated that they were stable up to 200 °C. The XRD study confirmed the structure of the grown crystal. The optical transmission analysis revealed that the pure and doped ADP crystals had very high percentage of transmission in the entire visible region. The important optical parameters such as reflectance and extinction coefficients of the grown crystals were calculated. L-arginine and glycine were used as dopants to reduce dielectric constant of ADP. The a.c. resistivity and a.c. conductivity were calculated. Dielectric loss of the doped ADP crystals grown by the SR method is lower than the doped ADP crystals grown by the conventional method. Larger hardness value for the SR method grown crystals confirmed greater crystalline perfection.
Gradient zone boundary control in salt gradient solar ponds
Hull, John R.
1984-01-01
A method and apparatus for suppressing zone boundary migration in a salt gradient solar pond includes extending perforated membranes across the pond at the boundaries, between the convective and non-convective zones, the perforations being small enough in size to prevent individual turbulence disturbances from penetrating the hole, but being large enough to allow easy molecular diffusion of salt thereby preventing the formation of convective zones in the gradient layer. The total area of the perforations is a sizable fraction of the membrane area to allow sufficient salt diffusion while preventing turbulent entrainment into the gradient zone.
Greening, David W; Xu, Rong; Ji, Hong; Tauro, Bow J; Simpson, Richard J
2015-01-01
Exosomes are 40-150 nm extracellular vesicles that are released from a multitude of cell types, and perform diverse cellular functions including intercellular communication, antigen presentation, and transfer of tumorigenic proteins, mRNA and miRNA. Exosomes are important regulators of the cellular niche, and their altered characteristics in many diseases, such as cancer, suggest their importance for diagnostic and therapeutic applications, and as drug delivery vehicles. Exosomes have been purified from biological fluids and in vitro cell cultures using a variety of strategies and techniques. In this chapter, we reveal the protocol and key insights into the isolation, purification and characterization of exosomes, distinct from shed microvesicles and apoptotic blebs. Using the colorectal cancer cell line LIM1863 as a cell model, a comprehensive evaluation of exosome isolation methods including ultracentrifugation (UC-Exos), OptiPrep™ density-based separation (DG-Exos), and immunoaffinity capture using anti-EpCAM-coated magnetic beads (IAC-Exos) were examined. All exosome isolation methodologies contained 40-150 nm vesicles based on electron microscopy, and positive for exosome markers (Alix, TSG101, HSP70) based on immunoblotting. This protocol employed a proteomic profiling approach to characterize the protein composition of exosomes, and label-free spectral counting to evaluate the effectiveness of each method in exosome isolation. Based on the number of MS/MS spectra identified for exosome markers and proteins associated with their biogenesis, trafficking, and release, IAC-Exos was shown to be the most effective method to isolate exosomes. However, the use of density-based separation (DG-Exos) provides significant advantages for exosome isolation when the use of immunoaffinity capture is limited (due to antibody availability and suitability of exosome markers). PMID:25820723
NASA Technical Reports Server (NTRS)
Goldberg, Robert K.; Hopkins, Dale A.
1994-01-01
The boundary element method is utilized in this study to conduct thermal analysis of functionally graded composites, materials in which the internal microstructure or properties are explicitly tailored in order to obtain an optimal response, on the micromechanical (constituent) scale. A unique feature of the boundary element formulations used here is the use of circular shape functions to convert the two-dimensional integrations of the composite fibers to one dimensional integrations. Using the computer code BEST-CMS, the through the thickness temperature profiles are computed for a representative material with varying numbers of fibers and fiber spacing in the thickness direction. The computed temperature profiles are compared to those obtained using an alternate analytical theory which explicitly couples the heterogeneous microstructure to the global analysis. The boundary element results compared favorably to the analytical calculations, with discrepancies that are explainable based on the boundary element formulation. The results serve both to demonstrate the ability of the boundary element method to analyze these types of materials, and to verify the accuracy of the analytical theory.
Nakajima, Yuya; Seino, Junji; Nakai, Hiromi
2016-05-10
An analytical energy gradient for the spin-dependent general Hartree-Fock method based on the infinite-order Douglas-Kroll-Hess (IODKH) method was developed. To treat realistic systems, the local unitary transformation (LUT) scheme was employed both in energy and energy gradient calculations. The present energy gradient method was numerically assessed to investigate the accuracy in several diatomic molecules containing fifth- and sixth-period elements and to examine the efficiency in one-, two-, and three-dimensional silver clusters. To arrive at a practical calculation, we also determined the geometrical parameters of fac-tris(2-phenylpyridine)iridium and investigated the efficiency. The numerical results confirmed that the present method describes a highly accurate relativistic effect with high efficiency. The present method can be a powerful scheme for determining geometries of large molecules, including heavy-element atoms. PMID:27045757
Sarshar, Mohammad; Wong, Winson T.; Anvari, Bahman
2014-01-01
Abstract. Optical tweezers have become an important instrument in force measurements associated with various physical, biological, and biophysical phenomena. Quantitative use of optical tweezers relies on accurate calibration of the stiffness of the optical trap. Using the same optical tweezers platform operating at 1064 nm and beads with two different diameters, we present a comparative study of viscous drag force, equipartition theorem, Boltzmann statistics, and power spectral density (PSD) as methods in calibrating the stiffness of a single beam gradient force optical trap at trapping laser powers in the range of 0.05 to 1.38 W at the focal plane. The equipartition theorem and Boltzmann statistic methods demonstrate a linear stiffness with trapping laser powers up to 355 mW, when used in conjunction with video position sensing means. The PSD of a trapped particle’s Brownian motion or measurements of the particle displacement against known viscous drag forces can be reliably used for stiffness calibration of an optical trap over a greater range of trapping laser powers. Viscous drag stiffness calibration method produces results relevant to applications where trapped particle undergoes large displacements, and at a given position sensing resolution, can be used for stiffness calibration at higher trapping laser powers than the PSD method. PMID:25375348
NASA Technical Reports Server (NTRS)
Roth, Don J.; Carney, Dorothy V.; Baaklini, George Y.; Bodis, James R.; Rauser, Richard W.
1998-01-01
Ultrasonic velocity/time-of-flight imaging that uses back surface reflections to gauge volumetric material quality is highly suited for quantitative characterization of microstructural gradients including those due to pore fraction, density, fiber fraction, and chemical composition variations. However, a weakness of conventional pulse-echo ultrasonic velocity/time-of-flight imaging is that the image shows the effects of thickness as well as microstructural variations unless the part is uniformly thick. This limits this imaging method's usefulness in practical applications. Prior studies have described a pulse-echo time-of-flight-based ultrasonic imaging method that requires using a single transducer in combination with a reflector plate placed behind samples that eliminates the effect of thickness variation in the image. In those studies, this method was successful at isolating ultrasonic variations due to material microstructure in plate-like samples of silicon nitride, metal matrix composite, and polymer matrix composite. In this study, the method is engineered for inspection of more complex-shaped structures-those having (hollow) tubular/curved geometry. The experimental inspection technique and results are described as applied to (1) monolithic mullite ceramic and polymer matrix composite 'proof-of-concept' tubular structures that contain machined patches of various depths and (2) as-manufactured monolithic silicon nitride ceramic and silicon carbide/silicon carbide composite tubular structures that might be used in 'real world' applications.
Chatelin, Simon; Charpentier, Isabelle; Corbin, Nadège; Meylheuc, Laurence; Vappou, Jonathan
2016-07-01
Quantitative and accurate measurement of in vivo mechanical properties using dynamic elastography has been the scope of many research efforts over the past two decades. Most of the shear-wave-based inverse approaches for magnetic resonance elastography (MRE) make the assumption of isotropic viscoelasticity. In this paper, we propose a quantitative gradient method for inversion of the shear wave equation in anisotropic media derived from a full waveform description using analytical viscoelastic Green formalism and automatic differentiation. The abilities and performances of the proposed identification method are first evaluated on numerical phantoms calculated in a transversely isotropic medium, and subsequently on experimental MRE data measured on an isotropic hydrogel phantom, on an anisotropic cryogel phantom and on an ex vivo fibrous muscle. The experiments are carried out by coupling circular shear wave profiles generated by acoustic radiation force and MRE acquisition of the wave front. Shear modulus values obtained by our MRE method are compared to those obtained by rheometry in the isotropic hydrogel phantom, and are found to be in good agreement despite non-overlapping frequency ranges. Both the cryogel and the ex vivo muscle are found to be anisotropic. Stiffness values in the longitudinal direction are found to be 1.8 times and 1.9 times higher than those in the transverse direction for the cryogel and the muscle, respectively. The proposed method shows great perspectives and substantial benefits for the in vivo quantitative investigation of complex mechanical properties in fibrous soft tissues. PMID:27300107
Cirera-Domènech, Elisenda; Estrada-Tejedor, Roger; Broto-Puig, Francesc; Teixidó, Jordi; Gassiot-Matas, Miquel; Comellas, Lluís; Lliberia, Josep Lluís; Méndez, Alberto; Paz-Estivill, Susanna; Delgado-Ortiz, Maria Rosa
2013-02-01
A usual method for the determination of aldehydes and ketones in different matrices consists of a derivatization with 2,4-dinitrophenylhydrazine (DNPH) followed by HPLC-UV analysis. In the present work, a HPLC-UV gradient elution method has been applied to the analysis of 13 aldehydes and ketones-DNPH in automotive emission samples. In addition to these 13 compounds-DNPH, several carbonyl-DNPH compounds (linear, ramified and cyclic, saturated and unsaturated compounds) have been analyzed by HPLC-UV. Quantitative structure-retention relationships (QSRR) methods have been applied to predict the logarithm of capacity factor (logk') of carbonyl-DNPH compounds. According to its physicochemical meaning, combinations of 2 and 3 molecular descriptors have been proposed in order to achieve higher correlation with logk'. Using linear and non-linear QSRR methodologies, the resulting prediction models allowed the screening of the most probable carbonyl-DNPH derivative candidates that correspond to unknown compounds detected in automotive emission samples. This information has been useful for their identification by UPLC(®)-MS/MS. In addition, the chromatographic retention of different carbonyl-DNPH compound families was studied using two HPLC isocratic methods working with two orthogonal stationary phases (octadecylpolyethoxysilane and cyanopropyl). Differences between the retention indexes obtained for each column were used for classifying carbonyl-DNPH into compounds families. PMID:23298845
Noh, Seam; Hong, Yong Seok; Han, Seunghee
2016-02-01
A diffusive gradient in thin films (DGT) is an in situ sampling technique for the quantitative analysis of contaminant concentrations that is based on the diffusion and adsorption of contaminants on to resin gels. In the present study, a DGT technique was applied to measure total mercury (Hg) and monomethylmercury (MMHg) concentrations in lake and coastal sediment porewaters and compare them with those from ex situ sediment centrifugation. To calculate the total Hg and MMHg concentrations in porewater using the DGT method, the diffusion coefficients of Hg species in a diffusive gel medium was first determined, and then total Hg and MMHg depth profiles were measured using the experimentally determined diffusion coefficients. Using the diffusion coefficients for artificial lake and estuarine waters containing inorganic salts, rather than those for lake and estuarine waters containing Suwannee River humic acid (∼5 mg C L(-1) ), the DGT method demonstrated similar Hg and MMHg profiles to those using the centrifugation method. Based on the need for fine vertical resolution and high metal concentrations to be collected, DGT is suggested to be a reliable method for determining Hg(II) and MMHg depth profiles in sediment porewater. PMID:26250361
NASA Astrophysics Data System (ADS)
Chatelin, Simon; Charpentier, Isabelle; Corbin, Nadège; Meylheuc, Laurence; Vappou, Jonathan
2016-07-01
Quantitative and accurate measurement of in vivo mechanical properties using dynamic elastography has been the scope of many research efforts over the past two decades. Most of the shear-wave-based inverse approaches for magnetic resonance elastography (MRE) make the assumption of isotropic viscoelasticity. In this paper, we propose a quantitative gradient method for inversion of the shear wave equation in anisotropic media derived from a full waveform description using analytical viscoelastic Green formalism and automatic differentiation. The abilities and performances of the proposed identification method are first evaluated on numerical phantoms calculated in a transversely isotropic medium, and subsequently on experimental MRE data measured on an isotropic hydrogel phantom, on an anisotropic cryogel phantom and on an ex vivo fibrous muscle. The experiments are carried out by coupling circular shear wave profiles generated by acoustic radiation force and MRE acquisition of the wave front. Shear modulus values obtained by our MRE method are compared to those obtained by rheometry in the isotropic hydrogel phantom, and are found to be in good agreement despite non-overlapping frequency ranges. Both the cryogel and the ex vivo muscle are found to be anisotropic. Stiffness values in the longitudinal direction are found to be 1.8 times and 1.9 times higher than those in the transverse direction for the cryogel and the muscle, respectively. The proposed method shows great perspectives and substantial benefits for the in vivo quantitative investigation of complex mechanical properties in fibrous soft tissues.
NASA Technical Reports Server (NTRS)
Ly, Uy-Loi; Schoemig, Ewald
1993-01-01
In the past few years, the mixed H(sub 2)/H-infinity control problem has been the object of much research interest since it allows the incorporation of robust stability into the LQG framework. The general mixed H(sub 2)/H-infinity design problem has yet to be solved analytically. Numerous schemes have considered upper bounds for the H(sub 2)-performance criterion and/or imposed restrictive constraints on the class of systems under investigation. Furthermore, many modern control applications rely on dynamic models obtained from finite-element analysis and thus involve high-order plant models. Hence the capability to design low-order (fixed-order) controllers is of great importance. In this research a new design method was developed that optimizes the exact H(sub 2)-norm of a certain subsystem subject to robust stability in terms of H-infinity constraints and a minimal number of system assumptions. The derived algorithm is based on a differentiable scalar time-domain penalty function to represent the H-infinity constraints in the overall optimization. The scheme is capable of handling multiple plant conditions and hence multiple performance criteria and H-infinity constraints and incorporates additional constraints such as fixed-order and/or fixed structure controllers. The defined penalty function is applicable to any constraint that is expressible in form of a real symmetric matrix-inequity.
NASA Astrophysics Data System (ADS)
Song, Bongyong; Park, Justin C.; Song, William Y.
2014-11-01
The Barzilai-Borwein (BB) 2-point step size gradient method is receiving attention for accelerating Total Variation (TV) based CBCT reconstructions. In order to become truly viable for clinical applications, however, its convergence property needs to be properly addressed. We propose a novel fast converging gradient projection BB method that requires ‘at most one function evaluation’ in each iterative step. This Selective Function Evaluation method, referred to as GPBB-SFE in this paper, exhibits the desired convergence property when it is combined with a ‘smoothed TV’ or any other differentiable prior. This way, the proposed GPBB-SFE algorithm offers fast and guaranteed convergence to the desired 3DCBCT image with minimal computational complexity. We first applied this algorithm to a Shepp-Logan numerical phantom. We then applied to a CatPhan 600 physical phantom (The Phantom Laboratory, Salem, NY) and a clinically-treated head-and-neck patient, both acquired from the TrueBeam™ system (Varian Medical Systems, Palo Alto, CA). Furthermore, we accelerated the reconstruction by implementing the algorithm on NVIDIA GTX 480 GPU card. We first compared GPBB-SFE with three recently proposed BB-based CBCT reconstruction methods available in the literature using Shepp-Logan numerical phantom with 40 projections. It is found that GPBB-SFE shows either faster convergence speed/time or superior convergence property compared to existing BB-based algorithms. With the CatPhan 600 physical phantom, the GPBB-SFE algorithm requires only 3 function evaluations in 30 iterations and reconstructs the standard, 364-projection FDK reconstruction quality image using only 60 projections. We then applied the algorithm to a clinically-treated head-and-neck patient. It was observed that the GPBB-SFE algorithm requires only 18 function evaluations in 30 iterations. Compared with the FDK algorithm with 364 projections, the GPBB-SFE algorithm produces visibly equivalent quality CBCT
Song, Bongyong; Park, Justin C; Song, William Y
2014-11-01
The Barzilai-Borwein (BB) 2-point step size gradient method is receiving attention for accelerating Total Variation (TV) based CBCT reconstructions. In order to become truly viable for clinical applications, however, its convergence property needs to be properly addressed. We propose a novel fast converging gradient projection BB method that requires 'at most one function evaluation' in each iterative step. This Selective Function Evaluation method, referred to as GPBB-SFE in this paper, exhibits the desired convergence property when it is combined with a 'smoothed TV' or any other differentiable prior. This way, the proposed GPBB-SFE algorithm offers fast and guaranteed convergence to the desired 3DCBCT image with minimal computational complexity. We first applied this algorithm to a Shepp-Logan numerical phantom. We then applied to a CatPhan 600 physical phantom (The Phantom Laboratory, Salem, NY) and a clinically-treated head-and-neck patient, both acquired from the TrueBeam™ system (Varian Medical Systems, Palo Alto, CA). Furthermore, we accelerated the reconstruction by implementing the algorithm on NVIDIA GTX 480 GPU card. We first compared GPBB-SFE with three recently proposed BB-based CBCT reconstruction methods available in the literature using Shepp-Logan numerical phantom with 40 projections. It is found that GPBB-SFE shows either faster convergence speed/time or superior convergence property compared to existing BB-based algorithms. With the CatPhan 600 physical phantom, the GPBB-SFE algorithm requires only 3 function evaluations in 30 iterations and reconstructs the standard, 364-projection FDK reconstruction quality image using only 60 projections. We then applied the algorithm to a clinically-treated head-and-neck patient. It was observed that the GPBB-SFE algorithm requires only 18 function evaluations in 30 iterations. Compared with the FDK algorithm with 364 projections, the GPBB-SFE algorithm produces visibly equivalent quality CBCT image for
Goutal, Sébastien; Auvity, Sylvain; Legrand, Tiphaine; Hauquier, Fanny; Cisternino, Salvatore; Chapy, Hélène; Saba, Wadad; Tournier, Nicolas
2016-05-10
In clinical practice, rifampicin exposure is estimated from its concentration in venous blood samples. In this study, we hypothesized that differences in rifampicin concentration may exist between arterial and venous plasma. An HPLC-UV method for determining rifampicin concentration in plasma using rifapentine as an internal standard was validated. The method, which requires a simple protein precipitation procedure as sample preparation, was performed to compare venous and arterial plasma kinetics after a single therapeutic dose of rifampicin (8.6 mg/kg i.v, infused over 30 min) in baboons (n=3). The method was linear from 0.1 to 40 μg mL(-1) and all validation parameters fulfilled the international requirements. In baboons, rifampicin concentration in arterial plasma was higher than in venous plasma. Arterial Cmax was 2.1±0.2 fold higher than venous Cmax. The area under the curve (AUC) from 0 to 120 min was ∼80% higher in arterial plasma, indicating a significant arteriovenous concentration gradient in early rifampicin pharmacokinetics. Arterial and venous plasma concentrations obtained 6h after rifampicin injection were not different. An important arteriovenous equilibration delay for rifampicin pharmacokinetics is reported. Determination in venous plasma concentrations may considerably underestimate rifampicin exposure to organs during the distribution phase. PMID:26907700
Kim, Eun-Kyung; Kim, Eun-Ha; Kim, Eun-Ah; Lee, Kyung-Ah; Shin, Ji-Eun
2015-01-01
Objective Sperm must be properly prepared in in vitro fertilization (IVF)-embryo transfer (ET) programs in order to control the fertilization rate and ensure that embryos are of high quality and have appropriate developmental abilities. The objective of this study was to determine the most optimal sperm preparation method for IVF. Methods Patients less than 40 years of age who participated in a fresh IVF-ET cycle from November 2012 to March 2013 were included in this study. Poor responders with less than three mature oocytes were excluded. Ham's F-10 medium or sperm-washing medium (SWM) was used in combination with the density-gradient centrifugation/swim-up (DGC-SUP) or SUP methods for sperm preparation. A total of 429 fresh IVF-ET cycles were grouped according to the media and methods used for sperm preparation and retrospectively analyzed (DGC-SUP/Ham's F-10, n=82; DGC-SUP/SWM, n=43; SUP/Ham's F-10, n=181; SUP/SWM, n=123). Results There were no significant differences among these four groups with respect to the mean age of the female partners, duration of infertility, number of previous IVF cycles, and retrieved oocytes. We determined that both the DGC-SUP and SUP methods for sperm preparation from whole semen, using either Ham's F-10 or SWM media, result in comparable clinical outcomes, including fertilization and pregnancy rates. Conclusion We suggest that both media and both methods for sperm preparation can be used for selecting high-quality sperm for assistive reproductive technology programs. PMID:25874170
Continuous gravity gradient logging
Fitch, J.L.; Lyle, W.D. Jr.
1986-07-29
A method is described for conducting a gravimetry survey of an earth formation, comprising the steps of: (a) continuously traversing the earth formation with a gravity logging tool having a column of fluid within the tool, (b) measuring a first pressure difference along a first interval within the column of fluid, (c) measuring a second pressure difference along a second interval within the column of fluid, (d) differencing the first and second pressure differences to determine the gravity gradient along the earth formation between the first and second intervals.
Dimitrow, Pawel Petkow; Rajtar-Salwa, Renata
2016-01-01
Dynamic (latent or/and labile) obstruction of left ventricular outflow (LVOT) was recognized from the earliest clinical descriptions of hypertrophic cardiomyopathy (HCM) and has proved to be a complex phenomenon, as well as arguably the most audible (“visible”) pathophysiological hallmark of this heterogeneous disease. The aim of the current review is focused on two novel issues in a subgroup of obstructive HCM. Firstly, the important methodological problem in HCM is the examination of a subgroup of patients with nonobstructive hypertrophy in resting conditions and hard, but possible provoking obstruction. Recently, investigators have proposed physiological stress test (with double combined stimuli) to disclose such type of patients. The upright exercise is described in the ESC guideline on hypertrophic cardiomyopathy from 2014 and may appear as a candidate for gold standard provocation test. The second novel area of interest is associated with elevated level of signaling biomarkers: hypercoagulation, hemolysis, acquired von Willebrand 2A disease, and enhanced oxidative stress. The accelerated and turbulent flow within narrow LVOT may be responsible for these biochemical disturbances. The most recent advances in the treatment of obstructive HCM are related to nonpharmacological methods of LVOT gradient reduction. This report extensively discusses novel methods. PMID:27247935
Spatial gradient tuning in metamaterials
NASA Astrophysics Data System (ADS)
Driscoll, Tom; Goldflam, Michael; Jokerst, Nan; Basov, Dimitri; Smith, David
2011-03-01
Gradient Index (GRIN) metamaterials have been used to create devices inspired by, but often surpassing the potential of, conventional GRIN optics. The unit-cell nature of metamaterials presents the opportunity to exert much greater control over spatial gradients than is possible in natural materials. This is true not only during the design phase but also offers the potential for real-time reconfiguration of the metamaterial gradient. This ability fits nicely into the picture of transformation-optics, in which spatial gradients can enable an impressive suite of innovative devices. We discuss methods to exert control over metamaterial response, focusing on our recent demonstrations using Vanadium Dioxide. We give special attention to role of memristance and mem-capacitance observed in Vanadium Dioxide, which simplify the demands of stimuli and addressing, as well as intersecting metamaterials with the field of memory-materials.
Cormier, V.F.
1990-08-10
The locked mode method of synthesizing complete regional seismograms (Harvey, 1981) was modified to include the Langer uniform asymptotic approximation to vertical wave-functions within layers having linear vertical velocity gradients. Good agreement is obtained in gradient models between synthetics computed using the Langer-locked mode method, the colocation method, and the conventional locked mode method in models parameterized by thin homogeneous layers. Errors in calculated displacement introduced by the use of the Langer approximation remain less than several percent for wavelengths lambda < or = 0.2V/nabla operator V. Whenever it is necessary to represent gradients accurately, the Langer-locked mode method is computationally more efficient than the locked mode method using thin homogeneous layers. By reducing the number of parameters needed to describe an Earth model, the Langer-locked method will also simplify the inverse problem of determining structure using observed and synthetic regional seismograms. Test calculations of regional seismograms confirm that the Pn and Sn phases are strongly affected by the magnitude of the velocity gradients beneath the Moho, but that Lg is only weakly affected by the details of crustal layering.
Combining Step Gradients and Linear Gradients in Density.
Kumar, Ashok A; Walz, Jenna A; Gonidec, Mathieu; Mace, Charles R; Whitesides, George M
2015-06-16
Combining aqueous multiphase systems (AMPS) and magnetic levitation (MagLev) provides a method to produce hybrid gradients in apparent density. AMPS—solutions of different polymers, salts, or surfactants that spontaneously separate into immiscible but predominantly aqueous phases—offer thermodynamically stable steps in density that can be tuned by the concentration of solutes. MagLev—the levitation of diamagnetic objects in a paramagnetic fluid within a magnetic field gradient—can be arranged to provide a near-linear gradient in effective density where the height of a levitating object above the surface of the magnet corresponds to its density; the strength of the gradient in effective density can be tuned by the choice of paramagnetic salt and its concentrations and by the strength and gradient in the magnetic field. Including paramagnetic salts (e.g., MnSO4 or MnCl2) in AMPS, and placing them in a magnetic field gradient, enables their use as media for MagLev. The potential to create large steps in density with AMPS allows separations of objects across a range of densities. The gradients produced by MagLev provide resolution over a continuous range of densities. By combining these approaches, mixtures of objects with large differences in density can be separated and analyzed simultaneously. Using MagLev to add an effective gradient in density also enables tuning the range of densities captured at an interface of an AMPS by simply changing the position of the container in the magnetic field. Further, by creating AMPS in which phases have different concentrations of paramagnetic ions, the phases can provide different resolutions in density. These results suggest that combining steps in density with gradients in density can enable new classes of separations based on density. PMID:25978093
Generalized conjugate gradient squared
Fokkema, D.R.; Sleijpen, G.L.G.
1994-12-31
In order to solve non-symmetric linear systems of equations, the Conjugate Gradient Squared (CGS) is a well-known and widely used iterative method. In practice the method converges fast, often twice as fast as the Bi-Conjugate Gradient method. This is what you may expect, since CGS uses the square of the BiCG polynomial. However, CGS may suffer from its erratic convergence behavior. The method may diverge or the approximate solution may be inaccurate. BiCGSTAB uses the BiCG polynomial and a product of linear factors in an attempt to smoothen the convergence. In many cases, this has proven to be very effective. Unfortunately, the convergence of BiCGSTAB may stall when a linear factor (nearly) degenerates. BiCGstab({ell}) is designed to overcome this degeneration of linear factors. It generalizes BiCGSTAB and uses both the BiCG polynomial and a product of higher order factors. Still, CGS may converge faster than BiCGSTAB or BiCGstab({ell}). So instead of using a product of linear or higher order factors, it may be worthwhile to look for other polynomials. Since the BiCG polynomial is based on a three term recursion, a natural choice would be a polynomial based on another three term recursion. Possibly, a suitable choice of recursion coefficients would result in method that converges faster or as fast as CGS, but less erratic. It turns out that an algorithm for such a method can easily be formulated. One particular choice for the recursion coefficients leads to CGS. Therefore one could call this algorithm generalized CGS. Another choice for the recursion coefficients leads to BiCGSTAB. It is therefore possible to mix linear factors and some polynomial based on a three term recursion. This way one may get the best of both worlds. The authors will report on their findings.
Tajeddin, E; Sherafat, S J; Majidi, M R S; Alebouyeh, M; Alizadeh, A H M; Zali, M R
2016-08-01
Bacterial infection is considered a predisposing factor for disorders of the biliary tract. This study aimed to determine the diversity of bacterial communities in bile samples and their involvement in the occurrence of biliary tract diseases. A total of 102 bile samples were collected during endoscopic retrograde cholangiopancreatography (ERCP). Characterization of bacteria was done using culture and polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) methods. Antimicrobial susceptibility of the isolates was determined based on the Clinical and Laboratory Standards Institute (CLSI) guidelines and identity of the nucleotide sequences of differentiated bands from the DGGE gels was determined based on GenBank data. In total, 41.2 % (42/102) of the patients showed bacterial infection in their bile samples. This infection was detected in 21 % (4/19), 45.4 % (5/11), 53.5 % (15/28), and 54.5 % (24/44) of patients with common bile duct stone, microlithiasis, malignancy, and gallbladder stone, respectively. Escherichia coli showed a significant association with gallstones. Polymicrobial infection was detected in 48 % of the patients. While results of the culture method established coexistence of biofilm-forming bacteria (Pseudomonas aeruginosa, E. coli, Klebsiella pneumoniae, Enterococcus spp., and Acinetobacter spp.) in different combinations, the presence of Capnocytophaga spp., Lactococcus spp., Bacillus spp., Staphylococcus haemolyticus, Enterobacter or Citrobacter spp., Morganella spp., Salmonella spp., and Helicobacter pylori was also characterized in these samples by the PCR-DGGE method. Multidrug resistance phenotypes (87.5 %) and resistance to third- and fourth-generation cephalosporins and quinolones were common in these strains, which could evolve through their selection by bile components. Ability for biofilm formation seems to be a need for polymicrobial infection in this organ. PMID:27193890
Zhang, Dan; Park, Jin-A; Kim, Dong-Soon; Kim, Seong-Kwan; Shin, Soo-Jean; Shim, Jae-Han; Shin, Sung Chul; Kim, Jin-Suk; Abd El-Aty, A M; Shin, Ho-Chul
2016-02-01
Analysis of residual quantities of contaminants in foods of animal origin is crucial for quality control of consumer products. This study was aimed to develop a simple and raid analytical method for detection of tetramisole and diethylcarbamazine using gradient liquid chromatography coupled with tandem mass spectrometry (LC/MS/MS). Tetramisole, diethylcarbamazine, and guaifenesin (as an internal standard) were extracted from milk, eggs, and porcine muscle using acetonitrile followed by partitioning at -20 °C for 1h. No extract purification was deemed necessary. The analytes were separated on C18 column using ammonium formate both in water and methanol. Good linearity was achieved over the tested concentration range with R(2) ⩾ 0.974. Recovery at two fortification levels ranged between 67.47% and 97.38%. The intra- and inter-day precisions were <20%. The limit of quantification was 0.2 and 2 ng/g for tetramisole and diethylcarbamazine, respectively. An analytical survey of samples purchased from large markets showed that none of the samples contained any of the target analytes. To the best of our knowledge, this is the first report on the quantitative determination of tetramisole and diethylcarbamazine in animal food products. PMID:26304351
Yang, Xiaoli; Hofmann, Ralf; Dapp, Robin; van de Kamp, Thomas; Rolo, Tomy dos Santos; Xiao, Xianghui; Moosmann, Julian; Kashef, Jubin; Stotzka, Rainer
2015-01-01
High-resolution, three-dimensional (3D) imaging of soft tissues requires the solution of two inverse problems: phase retrieval and the reconstruction of the 3D image from a tomographic stack of two-dimensional (2D) projections. The number of projections per stack should be small to accommodate fast tomography of rapid processes and to constrain X-ray radiation dose to optimal levels to either increase the duration of in vivo time-lapse series at a given goal for spatial resolution and/or the conservation of structure under X-ray irradiation. In pursuing the 3D reconstruction problem in the sense of compressive sampling theory, we propose to reduce the number of projections by applying an advanced algebraic technique subject to the minimisation of the total variation (TV) in the reconstructed slice. This problem is formulated in a Lagrangian multiplier fashion with the parameter value determined by appealing to a discrete L-curve in conjunction with a conjugate gradient method. The usefulness of this reconstruction modality is demonstrated for simulated and in vivo data, the latter acquired in parallel-beam imaging experiments using synchrotron radiation. (C) 2015 Optical Society of America
NASA Astrophysics Data System (ADS)
Schäfer, K.; Jahn, C.; Emeis, S.; Wiwiorra, M.; von der Heide, C.; Böttcher, J.; Deurer, M.; Weymann, D.; Schleichardt, A.; Raabe, A.
2009-09-01
For up-scaling the emissions of N2O, CO2 and CH4 (GHG) from arable field soils a measuring tunnel for controlled enrichment of released gases was installed at the soil surface covering an area of 495 or 306 m2. The concentrations of GHG and humidity were measured by the path-averaging, multi-component Fourier Transform Infrared (FTIR) absorption spectrometry at an open path of 100 m length across the whole measuring tunnel. During a 2-years-time frame the N2O fluxes between the soil and the atmosphere at the agricultural field varied between 1.0 and 21 µg N2O-N m-2 h-1. These results were compared with N2O emission rates that were simultaneously measured with a conventional closed chamber technique. The resulting N2O fluxes between the soil and the atmosphere of both methods had the same order of magnitude. However, we found an extreme spatial variability of N2O fluxes at the scale of the closed chambers. The hypothesis that an enlargement of the measured soil surface area is an appropriate measure to avoid the problems of up-scaling results of small scale chamber measurements was confirmed by the results obtained with the measuring tunnel. Currently, a non-intrusive emission and flux measurement method at a scale from 100 m up to. 27.000 m2 on the basis of the flux-gradient method (0.50 and 2.70 m height above surface) is developed and tested by means of open-path multi-component measurement methods (FTIR, GHG) and area averaging meteorological measurements (determination of horizontal winds, friction velocity using acoustic tomography). Two campaigns in October 2007 and June 2008 were performed with this new methodology when wind speeds were low. Due to the very low wind speeds and insufficient turbulence for the application of the usual flux-gradient method a new concept introducing the viscosity instead of stability corrections was developed. It requires a direct measurement of the friction velocity and the vertical gradient of the horizontal wind speeds by
Diviš, Pavel; Kadlecová, Milada; Ouddane, Baghdad
2016-05-01
The distribution of mercury in surface water and in sediment from Deûle River in Northern France was studied by application of conventional sampling methods and by diffusive gradients in thin films technique (DGT). Concentration of total dissolved mercury in surface water was 20.8 ± 0.8 ng l(-1). The particulate mercury concentration was 6.2 ± 0.6 µg g(-1). The particulate mercury was accumulated in sediment (9.9 ± 2.3 mg kg(-1)), and it was transformed by methylating bacteria to methylmercury, mainly in the first 2-cm layer of the sediment. Total dissolved concentration of mercury in sediment pore water obtained by application of centrifugation extraction was 17.6 ± 4.1 ng l(-1), and it was comparable with total dissolved pore water mercury concentration measured by DGT probe containing Duolite GT-73 resin gel (18.2 ± 4.3 ng l(-1)), taking the sediment heterogeneity and different principles of the applied methods into account. By application of two DGT probes with different resin gels specific for mercury, it was found that approximately 30 % of total dissolved mercury in sediment pore water was present in labile forms easy available for biota. The resolution of mercury DGT depth profiles was 0.5 cm, which allows, unlike conventional techniques, to study the connection of the geochemical cycle of mercury with geochemical cycles of iron and manganese. PMID:26428003
NASA Astrophysics Data System (ADS)
Mirzadeh, Zeynab; Mehri, Razieh; Rabbani, Hossein
2010-01-01
In this paper the degraded video with blur and noise is enhanced by using an algorithm based on an iterative procedure. In this algorithm at first we estimate the clean data and blur function using Newton optimization method and then the estimation procedure is improved using appropriate denoising methods. These noise reduction techniques are based on local statistics of clean data and blur function. For estimated blur function we use LPA-ICI (local polynomial approximation - intersection of confidence intervals) method that use an anisotropic window around each point and obtain the enhanced data employing Wiener filter in this local window. Similarly, to improvement the quality of estimated clean video, at first we transform the data to wavelet transform domain and then improve our estimation using maximum a posterior (MAP) estimator and local Laplace prior. This procedure (initial estimation and improvement of estimation by denoising) is iterated and finally the clean video is obtained. The implementation of this algorithm is slow in MATLAB1 environment and so it is not suitable for online applications. However, MATLAB has the capability of running functions written in C. The files which hold the source for these functions are called MEX-Files. The MEX functions allow system-specific APIs to be called to extend MATLAB's abilities. So, in this paper to speed up our algorithm, the written code in MATLAB is sectioned and the elapsed time for each section is measured and slow sections (that use 60% of complete running time) are selected. Then these slow sections are translated to C++ and linked to MATLAB. In fact, the high loads of information in images and processed data in the "for" loops of relevant code, makes MATLAB an unsuitable candidate for writing such programs. The written code for our video deblurring algorithm in MATLAB contains eight "for" loops. These eighth "for" utilize 60% of the total execution time of the entire program and so the runtime should be
Moisen, G.G.; Freeman, E.A.; Blackard, J.A.; Frescino, T.S.; Zimmermann, N.E.; Edwards, T.C., Jr.
2006-01-01
Many efforts are underway to produce broad-scale forest attribute maps by modelling forest class and structure variables collected in forest inventories as functions of satellite-based and biophysical information. Typically, variants of classification and regression trees implemented in Rulequest's?? See5 and Cubist (for binary and continuous responses, respectively) are the tools of choice in many of these applications. These tools are widely used in large remote sensing applications, but are not easily interpretable, do not have ties with survey estimation methods, and use proprietary unpublished algorithms. Consequently, three alternative modelling techniques were compared for mapping presence and basal area of 13 species located in the mountain ranges of Utah, USA. The modelling techniques compared included the widely used See5/Cubist, generalized additive models (GAMs), and stochastic gradient boosting (SGB). Model performance was evaluated using independent test data sets. Evaluation criteria for mapping species presence included specificity, sensitivity, Kappa, and area under the curve (AUC). Evaluation criteria for the continuous basal area variables included correlation and relative mean squared error. For predicting species presence (setting thresholds to maximize Kappa), SGB had higher values for the majority of the species for specificity and Kappa, while GAMs had higher values for the majority of the species for sensitivity. In evaluating resultant AUC values, GAM and/or SGB models had significantly better results than the See5 models where significant differences could be detected between models. For nine out of 13 species, basal area prediction results for all modelling techniques were poor (correlations less than 0.5 and relative mean squared errors greater than 0.8), but SGB provided the most stable predictions in these instances. SGB and Cubist performed equally well for modelling basal area for three species with moderate prediction success
Orderings for conjugate gradient preconditionings
NASA Technical Reports Server (NTRS)
Ortega, James M.
1991-01-01
The effect of orderings on the rate of convergence of the conjugate gradient method with SSOR or incomplete Cholesky preconditioning is examined. Some results also are presented that help to explain why red/black ordering gives an inferior rate of convergence.
HIGH GRADIENT MAGNETIC PARTICULATE COLLECTION
This paper describes the initial phases of an evaluation of high gradient magnetic separation (HGMS) as a potential method of fine particle collection from industrial stack gases. HGMS is a relatively new separation technique that has been shown to be capable of removing small, w...
Templating Surfaces with Gradient Assemblies
Genzer,J.
2005-01-01
One of the most versatile and widely used methods of forming surfaces with position-dependent wettability is that conceived by Chaudhury and Whitesides more than a decade ago. In this paper we review several projects that utilize this gradient-forming methodology for: controlled of deposition of self-assembled monolayers on surfaces, generating arrays of nanoparticles with number density gradients, probing the mushroom-to-brush transition in surface-anchored polymers, and controlling the speed of moving liquid droplets on surfaces.
Drozdzak, Jagoda; Leermakers, Martine; Gao, Yue; Phrommavanh, Vannapha; Descostes, Michael
2016-07-01
The Diffusive Gradients in Thin Films (DGT) technique using PIWBA resin (The Dow Chemical Company) was developed and validated for the measurement of uranium (U) concentration in natural and uranium mining influenced waters. The U uptake on the PIWBA resin gel was 97.3 ± 0.4% (batch method; Vsol = 5 mL; [U] = 20 μg L(-1); 0.01 M NaNO3; pH = 7.0 ± 0.2). The optimal eluent was found to be HNO3conc/70 °C with an elution efficiency of 88.9 ± 1.4%. The laboratory DGT investigation demonstrated that the PIWBA resin gel exhibits a very good performance across a wide range of pH (3-9) and ionic strength (0.001-0.7 M NaNO3) at different time intervals. Neither effect of PO4(3-) (up to 1.72 × 10(-4) M), nor of HCO3(-) (up to 8.20 × 10(-3) M) on the quantitative measurement of uranium by DGT-PIWBA method were observed. Only at very high Ca(2+) (2.66 × 10(-4) M), and SO4(2-) (5.55 × 10(-4) M) concentration, the U uptake on DGT-PIWBA was appreciably lessened. In-situ DGT field evaluation was carried out in the vicinity of three former uranium mining sites in France (Loire-Atlantique and Herault departments), which employ different water treatment technologies and have different natural geochemical characteristics. There was a similar or inferior U uptake on DGT-Chelex(®)-100 in comparison with the U accumulation on a DGT-PIWBA sampler. Most likely, the performance of Chelex(®)-100 was negatively affected by a highly complex matrix of mining waters. The high concentration and identity of co-accumulating analytes, typical for the mining environment, did not have a substantial impact on the quantitative uptake of labile U species on DGT- PIWBA. The use of the polyphenol impregnated anion exchange resin leads to a significant advancement in the application and development of the DGT technique for determination of U in the vicinity of the former uranium mining sites. PMID:27070846
Hargreaves, Brian
2012-01-01
Gradient echo sequences are widely used in magnetic resonance imaging (MRI) for numerous applications ranging from angiography to perfusion to functional MRI. Compared with spin-echo techniques, the very short repetition times of gradient-echo methods enable very rapid 2D and 3D imaging, but also lead to complicated “steady states.” Signal and contrast behavior can be described graphically and mathematically, and depends strongly on the type of spoiling: fully balanced (no spoiling), gradient spoiling, or RF-spoiling. These spoiling options trade off between high signal and pure T1 contrast while the flip angle also affects image contrast in all cases, both of which can be demonstrated theoretically and in image examples. As with spin-echo sequences, magnetization preparation can be added to gradient-echo sequences to alter image contrast. Gradient echo sequences are widely used for numerous applications such as 3D perfusion imaging, functional MRI, cardiac imaging and MR angiography. PMID:23097185
Strain gradient effects on cyclic plasticity
NASA Astrophysics Data System (ADS)
Niordson, Christian F.; Legarth, Brian Nyvang
2010-04-01
Size effects on the cyclic shear response are studied numerically using a recent higher order strain gradient visco-plasticity theory accounting for both dissipative and energetic gradient hardening. Numerical investigations of the response under cyclic pure shear and shear of a finite slab between rigid platens have been carried out, using the finite element method. It is shown for elastic-perfectly plastic solids how dissipative gradient effects lead to increased yield strength, whereas energetic gradient contributions lead to increased hardening as well as a Bauschinger effect. For linearly hardening materials it is quantified how dissipative and energetic gradient effects promote hardening above that of conventional predictions. Usually, increased hardening is attributed to energetic gradient effects, but here it is found that also dissipative gradient effects lead to additional hardening in the presence of conventional material hardening. Furthermore, it is shown that dissipative gradient effects can lead to both an increase and a decrease in the dissipation per load cycle depending on the magnitude of the dissipative length parameter, whereas energetic gradient effects lead to decreasing dissipation for increasing energetic length parameter. For dissipative gradient effects it is found that dissipation has a maximum value for some none zero value of the material length parameter, which depends on the magnitude of the deformation cycles.
Bozkaya, Uğur
2014-09-28
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.
NASA Astrophysics Data System (ADS)
Bozkaya, Uǧur
2014-09-01
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.
Bozkaya, Uğur
2014-09-28
General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths. PMID:25273413
Salinity gradient power: utilizing vapor pressure differences.
Olsson, M; Wick, G L; Isaacs, J D
1979-10-26
By utilizing the vapor pressure difference between high-salinity and lowsalinity wvater, one can obtain power from the gradients of salinity. This scheme eliminates the major problems associated with conversion methods in which membranes are used. The method we tested gave higher conversion efficiencies than membrane methods. Furthermore, hardware and techniques being developed for ocean thermal energy conversion may be applied to this approach to salinity gradient energy conversion. PMID:17809370
Nanofiber Scaffold Gradients for Interfacial Tissue Engineering
Ramalingam, Murugan; Young, Marian F.; Thomas, Vinoy; Sun, Limin; Chow, Laurence C.; Tison, Christopher K.; Chatterjee, Kaushik; Miles, William C.; Simon, Carl G.
2012-01-01
We have designed a 2-spinnerette device that can directly electrospin nanofiber scaffolds containing a gradient in composition that can be used to engineer interfacial tissues such as ligament and tendon. Two types of nanofibers are simultaneously electrospun in an overlapping pattern to create a nonwoven mat of nanofibers containing a composition gradient. The approach is an advance over previous methods due to its versatility - gradients can be formed from any materials that can be electrospun. A dye was used to characterize the 2-spinnerette approach and applicability to tissue engineering was demonstrated by fabricating nanofibers with gradients in amorphous calcium phosphate nanoparticles (nACP). Adhesion and proliferation of osteogenic cells (MC3T3-E1 murine pre-osteoblasts) on gradients was enhanced on the regions of the gradients that contained higher nACP content yielding a graded osteoblast response. Since increases in soluble calcium and phosphate ions stimulate osteoblast function, we measured their release and observed significant release from nanofibers containing nACP. The nanofiber-nACP gradients fabricated herein can be applied to generate tissues with osteoblast gradients such as ligaments or tendons. In conclusion, these results introduce a versatile approach for fabricating nanofiber gradients that can have application for engineering graded tissues. PMID:22286209
NASA Technical Reports Server (NTRS)
Cannell, David
2005-01-01
We have worked with our collaborators at the University of Milan (Professor Marzio Giglio and his group-supported by ASI) to define the science required to measure gradient driven fluctuations in the microgravity environment. Such a study would provide an accurate test of the extent to which the theory of fluctuating hydrodynamics can be used to predict the properties of fluids maintained in a stressed, non-equilibrium state. As mentioned above, the results should also provide direct visual insight into the behavior of a variety of fluid systems containing gradients or interfaces, when placed in the microgravity environment. With support from the current grant, we have identified three key systems for detailed investigation. These three systems are: 1) A single-component fluid to be studied in the presence of a temperature gradient; 2) A mixture of two organic liquids to be studied both in the presence of a temperature gradient, which induces a steady-state concentration gradient, and with the temperature gradient removed, but while the concentration gradient is dying by means of diffusion; 3) Various pairs of liquids undergoing free diffusion, including a proteidbuffer solution and pairs of mixtures having different concentrations, to allow us to vary the differences in fluid properties in a controlled manner.
Laser textured surface gradients
NASA Astrophysics Data System (ADS)
Ta, Van Duong; Dunn, Andrew; Wasley, Thomas J.; Li, Ji; Kay, Robert W.; Stringer, Jonathan; Smith, Patrick J.; Esenturk, Emre; Connaughton, Colm; Shephard, Jonathan D.
2016-05-01
This work demonstrates a novel technique for fabricating surfaces with roughness and wettability gradients and their subsequent applications for chemical sensors. Surface roughness gradients on brass sheets are obtained directly by nanosecond laser texturing. When these structured surfaces are exposed to air, their wettability decreases with time (up to 20 days) achieving both spatial and temporal wettability gradients. The surfaces are responsive to organic solvents. Contact angles of a series of dilute isopropanol solutions decay exponentially with concentration. In particular, a fall of 132° in contact angle is observed on a surface gradient, one order of magnitude higher than the 14° observed for the unprocessed surface, when the isopropanol concentration increased from 0 to 15.6 wt%. As the wettability changes gradually over the surface, contact angle also changes correspondingly. This effect offers multi-sensitivity at different zones on the surface and is useful for accurate measurement of chemical concentration.
Dual fuel gradients in uranium silicide plates
Pace, B.W.
1997-08-01
Babcock & Wilcox has been able to achieve dual gradient plates with good repeatability in small lots of U{sub 3}Si{sub 2} plates. Improvements in homogeneity and other processing parameters and techniques have allowed the development of contoured fuel within the cladding. The most difficult obstacles to overcome have been the ability to evaluate the bidirectional fuel loadings in comparison to the perfect loading model and the different methods of instilling the gradients in the early compact stage. The overriding conclusion is that to control the contour of the fuel, a known relationship between the compact, the frames and final core gradient must exist. Therefore, further development in the creation and control of dual gradients in fuel plates will involve arriving at a plausible gradient requirement and building the correct model between the compact configuration and the final contoured loading requirements.
NASA Astrophysics Data System (ADS)
Carlos, Dionísio U.; Uieda, Leonardo; Barbosa, Valeria C. F.
2016-07-01
Airborne gravity gradiometry data have been recently used in mining surveys to map the 3D geometry of ore deposits. This task can be achieved by different gravity-gradient inversion methods, many of which use a voxel-based discretization of the Earth's subsurface. To produce a unique and stable solution, an inversion method introduces particular constraints. One constraining inversion introduces a depth-weighting function in the first-order Tikhonov regularization imposing a smoothing on the density-contrast distributions that are not restricted to near-surface regions. Another gravity-gradient inversion, the method of planting anomalous densities, imposes compactness and sharp boundaries on the density-contrast distributions. We used these two inversion methods to invert the airborne gravity-gradient data over the iron-ore deposit at the southern flank of the Gandarela syncline in Quadrilátero Ferrífero (Brazil). Because these methods differ from each other in the particular constraint used, the estimated 3D density-contrast distributions reveal different geologic features of ore deposit. The depth-weighting smoothing inversion reveals variable dip directions along the strike of the retrieved iron-ore body. The planting anomalous density inversion estimates a compact iron-ore mass with a single density contrast, which reveals a variable volume of the iron ore along its strike increasing towards the hinge zone of the Gandarela syncline which is the zone of maximum compression. The combination of the geologic features inferred from each estimate leads to a synergistic effect, revealing that the iron-ore deposit is strongly controlled by the Gandarela syncline.
Computational strain gradient crystal plasticity
NASA Astrophysics Data System (ADS)
Niordson, Christian F.; Kysar, Jeffrey W.
2014-01-01
A numerical method for viscous strain gradient crystal plasticity theory is presented, which incorporates both energetic and dissipative gradient effects. The underlying minimum principles are discussed as well as convergence properties of the proposed finite element procedure. Three problems of plane crystal plasticity are studied: pure shear of a single crystal between rigid platens as well as plastic deformation around cylindrical voids in hexagonal close packed and face centered cubic crystals. Effective in-plane constitutive slip parameters for plane strain deformation of specifically oriented face centered cubic crystals are developed in terms of the crystallographic slip parameters. The effect on geometrically necessary dislocation structures introduced by plastic deformation is investigated as a function of the ratio of void radius to plasticity length scale.
Flow field thermal gradient gas chromatography.
Boeker, Peter; Leppert, Jan
2015-09-01
Negative temperature gradients along the gas chromatographic separation column can maximize the separation capabilities for gas chromatography by peak focusing and also lead to lower elution temperatures. Unfortunately, so far a smooth thermal gradient over a several meters long separation column could only be realized by costly and complicated manual setups. Here we describe a simple, yet flexible method for the generation of negative thermal gradients using standard and easily exchangeable separation columns. The measurements made with a first prototype reveal promising new properties of the optimized separation process. The negative thermal gradient and the superposition of temperature programming result in a quasi-parallel separation of components each moving simultaneously near their lowered specific equilibrium temperatures through the column. Therefore, this gradient separation process is better suited for thermally labile molecules such as explosives and natural or aroma components. High-temperature GC methods also benefit from reduced elution temperatures. Even for short columns very high peak capacities can be obtained. In addition, the gradient separation is particularly beneficial for very fast separations below 1 min overall retention time. Very fast measurements of explosives prove the benefits of using negative thermal gradients. The new concept can greatly reduce the cycle time of high-resolution gas chromatography and can be integrated into hyphenated or comprehensive gas chromatography setups. PMID:26235451
Yu, Shuling; Yuan, Xuejie; Yang, Jing; Yuan, Jintao; Shi, Jiahua; Wang, Yali; Chen, Yuewen; Gao, Shufang
2015-01-01
An attractive method of generating second-order data was developed by a dropping technique to generate pH gradient simultaneously coupled with diode-array spectrophotometer scanning. A homemade apparatus designed for the pH gradient. The method and the homemade apparatus were used to simultaneously determine malachite green (MG) and crystal violet (CV) in water samples. The absorbance-pH second-order data of MG or CV were obtained from the spectra of MG or CV in a series of pH values of HCl-KCl solution. The second-order data of mixtures containing MG and CV that coexisted with interferents were analyzed using multidimensional partial least-squares with residual bilinearization. The method and homemade apparatus were used to simultaneously determine MG and CV in fish farming water samples and in river ones with satisfactory results. The presented method and the homemade apparatus could serve as an alternative tool to handle some analysis problems. PMID:26057094
Regularized Multitask Learning for Multidimensional Log-Density Gradient Estimation.
Yamane, Ikko; Sasaki, Hiroaki; Sugiyama, Masashi
2016-07-01
Log-density gradient estimation is a fundamental statistical problem and possesses various practical applications such as clustering and measuring nongaussianity. A naive two-step approach of first estimating the density and then taking its log gradient is unreliable because an accurate density estimate does not necessarily lead to an accurate log-density gradient estimate. To cope with this problem, a method to directly estimate the log-density gradient without density estimation has been explored and demonstrated to work much better than the two-step method. The objective of this letter is to improve the performance of this direct method in multidimensional cases. Our idea is to regard the problem of log-density gradient estimation in each dimension as a task and apply regularized multitask learning to the direct log-density gradient estimator. We experimentally demonstrate the usefulness of the proposed multitask method in log-density gradient estimation and mode-seeking clustering. PMID:27171983
High gradient RF breakdown studies
NASA Astrophysics Data System (ADS)
Laurent, Lisa Leanne
Higher accelerating gradients are required by future demands for TeV electron linear colliders. With higher energy comes the challenge of handling stronger electromagnetic fields in the accelerator structures and in the microwave sources that supply the power. A limit on the maximum field gradient is imposed by rf electrical breakdown. Investigating methods to achieve higher gradients and to better understand the mechanisms involved in the rf breakdown process has been the focal point of this study. A systematic series of rf breakdown experiments have been conducted at Stanford Linear Accelerator Center utilizing a transmission cavity operating in the TM020 mode. A procedure was developed to examine the high gradient section of the cavity in an electron microscope. The results have revealed that breakdown asymmetry exists between opposing high gradient surfaces. During breakdown, a plasma formation is detected localized near the surface with no visible evidence of an arc traversing the gap. These findings support the theory that high frequency rf breakdown is a single surface phenomenon. Other results from this study have shown that breakdown can occur at relatively low voltages when surface irregularities exist and along grain boundaries. A series of steps have been developed through this study that have significantly reduced the number of breakdowns that occur along grain boundaries. Testing under various vacuum conditions (10-11--10 -5 Torr) have revealed that while the breakdown threshold remained the same, the field emitted current density increased by almost two orders of magnitude. This suggests that the total field emitted current density is not the critical parameter in the initiation of high frequency vacuum breakdown. In the course of this study, microparticles were carefully tracked before and after rf processing. The outcome of this research suggests that expensive cleanroom facilities may not offer any advantage over practicing good cleaning and
Natural gradient learning algorithms for RBF networks.
Zhao, Junsheng; Wei, Haikun; Zhang, Chi; Li, Weiling; Guo, Weili; Zhang, Kanjian
2015-02-01
Radial basis function (RBF) networks are one of the most widely used models for function approximation and classification. There are many strange behaviors in the learning process of RBF networks, such as slow learning speed and the existence of the plateaus. The natural gradient learning method can overcome these disadvantages effectively. It can accelerate the dynamics of learning and avoid plateaus. In this letter, we assume that the probability density function (pdf) of the input and the activation function are gaussian. First, we introduce natural gradient learning to the RBF networks and give the explicit forms of the Fisher information matrix and its inverse. Second, since it is difficult to calculate the Fisher information matrix and its inverse when the numbers of the hidden units and the dimensions of the input are large, we introduce the adaptive method to the natural gradient learning algorithms. Finally, we give an explicit form of the adaptive natural gradient learning algorithm and compare it to the conventional gradient descent method. Simulations show that the proposed adaptive natural gradient method, which can avoid the plateaus effectively, has a good performance when RBF networks are used for nonlinear functions approximation. PMID:25380332
Gradient enhanced spectroscopy
NASA Astrophysics Data System (ADS)
van Zijl, Peter C.; Hurd, Ralph E.
2011-12-01
This paper provides a brief overview of the personal recollections of the authors regarding their contributions to the introduction of shielded gradient technology into NMR spectroscopy during the late 1980s and early 1990s. It provides some background into early probe design and details some of the early technical progress with the use of shielded magnetic field gradients for coherence selection in high resolution NMR and describes the developments at General Electric, the National Institutes of Health, Georgetown University and Johns Hopkins University School of Medicine that ultimately led to this technology becoming commonplace in modern NMR spectroscopy. Most of this early technical work was published in the Journal of Magnetic Resonance.
High gradient superconducting quadrupoles
Lundy, R.A.; Brown, B.C.; Carson, J.A.; Fisk, H.E.; Hanft, R.H.; Mantsch, P.M.; McInturff, A.D.; Remsbottom, R.H.
1987-07-01
Prototype superconducting quadrupoles with a 5 cm aperture and gradient of 16 kG/cm have been built and tested as candidate magnets for the final focus at SLC. The magnets are made from NbTi Tevatron style cable with 10 inner and 14 outer turns per quadrant. Quench performance and multipole data are presented. Design and data for a low current, high gradient quadrupole, similar in cross section but wound with a cable consisting of five insulated conductors are also discussed.
HIGH GRADIENT INDUCTION ACCELERATOR
Caporaso, G J; Sampayan, S; Chen, Y; Blackfield, D; Harris, J; Hawkins, S; Holmes, C; Krogh, M; Nelson, S; Nunnally, W; Paul, A; Poole, B; Rhodes, M; Sanders, D; Selenes, K; Sullivan, J; Wang, L; Watson, J
2007-06-21
A new type of compact induction accelerator is under development at the Lawrence Livermore National Laboratory that promises to increase the average accelerating gradient by at least an order of magnitude over that of existing induction machines. The machine is based on the use of high gradient vacuum insulators, advanced dielectric materials and switches and is stimulated by the desire for compact flash x-ray radiography sources. Research describing an extreme variant of this technology aimed at proton therapy for cancer will be described. Progress in applying this technology to several applications will be reviewed.
Stepanenko, Svetlana; Engels, Bernd
2007-01-30
This paper presents a modification of the tabu search called gradient tabu search (GTS). It uses analytical gradients for a fast minimization to the next local minimum and analytical diagonal elements of the Hessian to escape local minima. For an efficient blocking of already visited areas tabu regions and tabu directions are introduced into the tabu list (TL). Trials with various well-known test functions indicate that the GTS is a very promising approach to determine local and global minima of differentiable functions. Possible application areas could be optimization routines for force field parameters or conformational searches for large molecules. PMID:17186482
Pan, Yue; Guan, Dong-Xing; Zhao, Di; Luo, Jun; Zhang, Hao; Davison, William; Ma, Lena Q
2015-12-15
Hexavalent chromium (Cr(VI)) is much more toxic and mobile than the trivalent species (Cr(III)) and consequently, in situ monitoring of Cr(VI) can improve the understanding of Cr biogeochemistry and toxicity in ecosystems. The passive diffusive gradients in thin-films (DGT) technique is a powerful tool for determining metal(loid) speciation, but a binding phase that absorbs only one specific species of Cr is needed. N-Methyl-d-glucamine (NMDG) functional resin was incorporated into the DGT binding phase for selective measurement of Cr(VI). This NMDG-DGT sampler exhibited a theoretically linear accumulation of Cr(VI), with negligible accumulation (<5%) of Cr(III), even after 72 h deployment. The good prediction of Cr(VI) concentration in synthetic freshwater with NMDG-DGT, even in the presence of 10-time more Cr(III), further indicated the sampler's reliability in selective detection of Cr(VI). Moreover, its high capacity for Cr(VI), which exceeded 230 μg cm(-2), facilitates measurement of Cr(VI) in both uncontaminated natural waters and in slightly and heavily contaminated (ppm level) waters. Field deployment of the NMDG-DGT sampler in such waters allowed accurate measurement of time-averaged Cr(VI) concentration, indicating its robustness for in situ measurements of Cr speciation and its potential for further application in the risk assessment of Cr. PMID:26535488
Gradient Refractive Index Lenses.
ERIC Educational Resources Information Center
Morton, N.
1984-01-01
Describes the nature of gradient refractive index (GRIN) lenses, focusing on refraction in these materials, focal length of a thin Wood lens, and on manufacturing of such lenses. Indicates that GRIN lenses of small cross section are in limited production with applications suggested for optical communication and photocopying fields. (JN)
ERIC Educational Resources Information Center
Gaze, Eric C.
2005-01-01
We introduce a cooperative learning, group lab for a Calculus III course to facilitate comprehension of the gradient vector and directional derivative concepts. The lab is a hands-on experience allowing students to manipulate a tangent plane and empirically measure the effect of partial derivatives on the direction of optimal ascent. (Contains 7…
BIOMIMETIC GRADIENT HYDROGELS FOR TISSUE ENGINEERING
Sant, Shilpa; Hancock, Matthew J.; Donnelly, Joseph P.; Iyer, Dharini; Khademhosseini, Ali
2011-01-01
During tissue morphogenesis and homeostasis, cells experience various signals in their environments, including gradients of physical and chemical cues. Spatial and temporal gradients regulate various cell behaviours such as proliferation, migration, and differentiation during development, inflammation, wound healing, and cancer. One of the goals of functional tissue engineering is to create microenvironments that mimic the cellular and tissue complexity found in vivo by incorporating physical, chemical, temporal, and spatial gradients within engineered three-dimensional (3D) scaffolds. Hydrogels are ideal materials for 3D tissue scaffolds that mimic the extracellular matrix (ECM). Various techniques from material science, microscale engineering, and microfluidics are used to synthesise biomimetic hydrogels with encapsulated cells and tailored microenvironments. In particular, a host of methods exist to incorporate micrometer to centimetre scale chemical and physical gradients within hydrogels to mimic the cellular cues found in vivo. In this review, we draw on specific biological examples to motivate hydrogel gradients as tools for studying cell–material interactions. We provide a brief overview of techniques to generate gradient hydrogels and showcase their use to study particular cell behaviours in two-dimensional (2D) and 3D environments. We conclude by summarizing the current and future trends in gradient hydrogels and cell–material interactions in context with the long-term goals of tissue engineering. PMID:21874065
BIOMIMETIC GRADIENT HYDROGELS FOR TISSUE ENGINEERING.
Sant, Shilpa; Hancock, Matthew J; Donnelly, Joseph P; Iyer, Dharini; Khademhosseini, Ali
2010-12-01
During tissue morphogenesis and homeostasis, cells experience various signals in their environments, including gradients of physical and chemical cues. Spatial and temporal gradients regulate various cell behaviours such as proliferation, migration, and differentiation during development, inflammation, wound healing, and cancer. One of the goals of functional tissue engineering is to create microenvironments that mimic the cellular and tissue complexity found in vivo by incorporating physical, chemical, temporal, and spatial gradients within engineered three-dimensional (3D) scaffolds. Hydrogels are ideal materials for 3D tissue scaffolds that mimic the extracellular matrix (ECM). Various techniques from material science, microscale engineering, and microfluidics are used to synthesise biomimetic hydrogels with encapsulated cells and tailored microenvironments. In particular, a host of methods exist to incorporate micrometer to centimetre scale chemical and physical gradients within hydrogels to mimic the cellular cues found in vivo. In this review, we draw on specific biological examples to motivate hydrogel gradients as tools for studying cell-material interactions. We provide a brief overview of techniques to generate gradient hydrogels and showcase their use to study particular cell behaviours in two-dimensional (2D) and 3D environments. We conclude by summarizing the current and future trends in gradient hydrogels and cell-material interactions in context with the long-term goals of tissue engineering. PMID:21874065
Biffle, J.H.; Blanford, M.L.
1994-05-01
JAC2D is a two-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equations. The method is implemented in a two-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. A four-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic/plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.
Biffle, J.H.
1993-02-01
JAC3D is a three-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equation. The method is implemented in a three-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. An eight-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic-plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.
Urashima, Yasufumi; Sonoda, Takahiro; Fujita, Yuko; Uragami, Atsuko
2012-01-01
Growth inhibition due to continuous cropping of asparagus is a major problem; the yield of asparagus in replanted fields is low compared to that in new fields, and missing plants occur among young seedlings. Although soil-borne disease and allelochemicals are considered to be involved in this effect, this is still controversial. We aimed to develop a technique for the biological field diagnosis of growth inhibition due to continuous cropping. Therefore, in this study, fungal community structure and Fusarium community structure in continuously cropped fields of asparagus were analyzed by polymerase chain reaction/denaturing-gradient gel electrophoresis (PCR-DGGE). Soil samples were collected from the Aizu region of Fukushima Prefecture, Japan. Soil samples were taken from both continuously cropped fields of asparagus with growth inhibition and healthy neighboring fields of asparagus. The soil samples were collected from the fields of 5 sets in 2008 and 4 sets in 2009. We were able to distinguish between pathogenic and non-pathogenic Fusarium by using Alfie1 and Alfie2GC as the second PCR primers and PCR-DGGE. Fungal community structure was not greatly involved in the growth inhibition of asparagus due to continuous cropping. By contrast, the band ratios of Fusarium oxysporum f. sp. asparagi in growth-inhibited fields were higher than those in neighboring healthy fields. In addition, there was a positive correlation between the band ratios of Fusarium oxysporum f. sp. asparagi and the ratios of missing asparagus plants. We showed the potential of biological field diagnosis of growth inhibition due to continuous cropping of asparagus using PCR-DGGE. PMID:22200640
NASA Astrophysics Data System (ADS)
Zhang, Y.; Chen, C.; Du, J.; Sun, S.; Liang, Q.
2015-12-01
In the study of the inversion of gravity and magnetic data, the discretization of underground space is usually achieved by the use of structured grids. For instance, using the regular block as the module unit to divide model space in Cartesian coordinate system and the tesseroid in spherical coordinate system. Structured grids show clear spatial structures and mathematical properties. However, the block can only provide a rough approximation to the given terrain and using the tesseroid to approximate the terrain even seems impracticable. These shape determining errors cause the reduction of forward modeling precision. Moreover, the precision decreases again while using the tesseroid as no analytical algorithm has been acquired. On the other hand, since most terrain data has a limited resolution, unstructured grids, based on the polyhedron or tetrahedron, could fill the space completely, which allows us to reduce errors in shape determination to the minima. In addition, the analytical algorithms for polyhedron have been proposed. In our study, we use the tetrahedron as the module unit to divide the underground space. Moreover, based on the former researches, we supplement new analytical algorithms for tetrahedron to forward modeling gravity and magnetic fields and their gradient tensors in both Cartesian and spherical coordinate systems. The algorithm is testified by comparing the forward gravity and magnetic data of a block with the data obtained using the existed algorithms. The absolute difference between these two data is under 10e-9 mGal. Our approach is suitable for the inversion of gravity and magnetic data in both Cartesian and spherical coordinate systems.This study is supported by Natural Science Fund of Hubei Province (Grant No.: 2015CFB361) and International Cooperation Project in Science and Technology of China (Grant No.: 2010DFA24580).
Autonomous pump against concentration gradient
NASA Astrophysics Data System (ADS)
Xu, Zhi-Cheng; Zheng, Dong-Qin; Ai, Bao-Quan; Zhong, Wei-Rong
2016-03-01
Using non-equilibrium molecular dynamics and Monte Carlo methods, we have studied the molecular transport in asymmetric nanochannels. The efficiency of the molecular pump depends on the angle and apertures of the asymmetric channel, the environmental temperature and average concentration of the particles. The pumping effect can be explained as the competition between the molecular force field and the thermal disturbance. Our results provide a green approach for pumping fluid particles against the concentration gradient through asymmetric nanoscale thin films without any external forces. It indicates that pumping vacuum can be a spontaneous process.
Autonomous pump against concentration gradient
Xu, Zhi-cheng; Zheng, Dong-qin; Ai, Bao-quan; Zhong, Wei-rong
2016-01-01
Using non-equilibrium molecular dynamics and Monte Carlo methods, we have studied the molecular transport in asymmetric nanochannels. The efficiency of the molecular pump depends on the angle and apertures of the asymmetric channel, the environmental temperature and average concentration of the particles. The pumping effect can be explained as the competition between the molecular force field and the thermal disturbance. Our results provide a green approach for pumping fluid particles against the concentration gradient through asymmetric nanoscale thin films without any external forces. It indicates that pumping vacuum can be a spontaneous process. PMID:26996204
Continuous spray forming of functionally gradient materials
McKechnie, T.N.; Richardson, E.H.
1995-12-01
Researchers at Plasma Processes Inc. have produced a Functional Gradient Material (FGM) through advanced vacuum plasma spray processing for high heat flux applications. Outlined in this paper are the manufacturing methods used to develop a four component functional gradient material of copper, tungsten, boron, and boron nitride. The FGM was formed with continuous gradients and integral cooling channels eliminating bondlines and providing direct heat transfer from the high temperature exposed surface to a cooling medium. Metallurgical and x-ray diffraction analyses of the materials formed through innovative VPS (vacuum plasma spray) processing are also presented. Applications for this functional gradient structural material range from fusion reactor plasma facing components to missile nose cones to boilers.
Scarpellini, Paolo; Braglia, Sergio; Carrera, Paola; Cedri, Maura; Cichero, Paola; Colombo, Alessia; Crucianelli, Rosella; Gori, Andrea; Ferrari, Maurizio; Lazzarin, Adriano
1999-01-01
We applied double gradient-denaturing gradient gel electrophoresis (DG-DGGE) for the rapid detection of rifampin (RMP) resistance from rpoB PCR products of Mycobacterium tuberculosis isolates and clinical samples. The results of this method were fully concordant with those of DNA sequencing and susceptibility testing analyses. DG-DGGE is a valid alternative to the other methods of detecting mutations for predicting RMP resistance. PMID:10508043
Oxygen gradients in the microcirculation.
Pittman, R N
2011-07-01
Early in the last century August Krogh embarked on a series of seminal studies to understand the connection between tissue metabolism and mechanisms by which the cardiovascular system supplied oxygen to meet those needs. Krogh recognized that oxygen was supplied from blood to the tissues by passive diffusion and that the most likely site for oxygen exchange was the capillary network. Studies of tissue oxygen consumption and diffusion coefficient, coupled with anatomical studies of capillarity in various tissues, led him to formulate a model of oxygen diffusion from a single capillary. Fifty years after the publication of this work, new methods were developed which allowed the direct measurement of oxygen in and around microvessels. These direct measurements have confirmed the predictions by Krogh and have led to extensions of his ideas resulting in our current understanding of oxygenation within the microcirculation. Developments during the last 40 years are reviewed, including studies of oxygen gradients in arterioles, capillaries, venules, microvessel wall and surrounding tissue. These measurements were made possible by the development and use of new methods to investigate oxygen in the microcirculation, so mention is made of oxygen microelectrodes, microspectrophotometry of haemoglobin and phosphorescence quenching microscopy. Our understanding of oxygen transport from the perspective of the microcirculation has gone from a consideration of oxygen gradients in capillaries and tissue to the realization that oxygen has the ability to diffuse from any microvessel to another location under the conditions that there exists a large enough PO(2) gradient and that the permeability for oxygen along the intervening pathway is sufficient. PMID:21281453
Complex surface concentration gradients by stenciled "electro click chemistry".
Hansen, Thomas S; Lind, Johan U; Daugaard, Anders E; Hvilsted, Søren; Andresen, Thomas L; Larsen, Niels B
2010-10-19
Complex one- or two-dimensional concentration gradients of alkynated molecules are produced on azidized conducting polymer substrates by stenciled "electro click chemistry". The latter describes the local electrochemical generation of catalytically active Cu(I) required to complete a "click reaction" between alkynes and azides at room temperature. A stencil on the counter electrode defines the shape and multiplicity of the gradient(s) on the conducting polymer substrate, while the specific reaction conditions control gradient steepness and the maximum concentration deposited. Biologically active ligands including cell binding peptides are patterned in gradients by this method without losing their biological function or the conductivity of the polymer. PMID:20860406
Bigravity from gradient expansion
NASA Astrophysics Data System (ADS)
Yamashita, Yasuho; Tanaka, Takahiro
2016-05-01
We discuss how the ghost-free bigravity coupled with a single scalar field can be derived from a braneworld setup. We consider DGP two-brane model without radion stabilization. The bulk configuration is solved for given boundary metrics, and it is substituted back into the action to obtain the effective four-dimensional action. In order to obtain the ghost-free bigravity, we consider the gradient expansion in which the brane separation is supposed to be sufficiently small so that two boundary metrics are almost identical. The obtained effective theory is shown to be ghost free as expected, however, the interaction between two gravitons takes the Fierz-Pauli form at the leading order of the gradient expansion, even though we do not use the approximation of linear perturbation. We also find that the radion remains as a scalar field in the four-dimensional effective theory, but its coupling to the metrics is non-trivial.
NASA Astrophysics Data System (ADS)
Datteri, Ryan; Barillot, Christian; Dawant, Benoit M.; Lecoeur, Jeremy
2010-03-01
Two popular segmentation methods used today are atlas based and graph cut based segmentation techniques. The atlas based method deforms a manually segmented image onto a target image, resulting in an automatic segmentation. The graph cut segmentation method utilizes the graph cut paradigm by treating image segmentation as a max-flow problem. A specialized form of this algorithm was developed by Lecoeur et al [1], called the spectral graph cut algorithm. The goal of this paper is to combine both of these methods, creating a more stable atlas based segmentation algorithm that is less sensitive to the initial manual segmentation. The registration algorithm is used to automate and initialize the spectral graph cut algorithm as well as add needed spatial information, while the spectral graph cut algorithm is used to increase the robustness of the atlas method. To calculate the sensitivity of the algorithms, the initial manual segmentation of the atlas was both dilated and eroded 2 mm and the segmentation results were calculated. Results show that the atlas based segmentation segments the thalamus well with an average Dice Similarity Coefficient (DSC) of 0.87. The spectral graph cut method shows similar results with an average DSC measure of 0.88, with no statistical difference between the two methods. The atlas based method's DSC value, however, was reduced to 0.76 and 0.67 when dilated and eroded respectively, while the combined method retained a DSC value of 0.81 and 0.74, with a statistical difference found between the two methods.
García-Marco, Sonia; Cremonini, Mauro A; Esteban, Pedro; Yunta, Felipe; Hernández-Apaolaza, Lourdes; Placucci, Giuseppe; Lucena, Juan J
2005-01-28
The most effective remedy for iron deficiency is the use of synthetic iron chelates, specifically chelates derived from polyaminecarboxylic acids as EDDHSA (N,N'-ethylenediamine-di-(2-hidroxy-5-sulfophenylacetic) acid). A gradient ion-pair chromatographic method was developed to quantify the total amount of chelated iron in EDDHSA/Fe3+ fertilizers. Two mobile phases were used containing, respectively, 35 and 75% acetonitrile in a 0.005 M tetrabutylammonium hydroxide aqueous solution at pH 6.0. The stationary phase was a reverse phase C-18 column (150mm x 3.9mm i.d., dp = 5 microm). Two chromatographic peaks appeared and were identified by Electrospray Mass Spectrometry. The first peak corresponds to the monomer of EDDHSA/Fe3+ and the second peak has been assigned to condensation molecules. Quality parameters indicate that the method is suitable for the quantification of iron chelate by EDDHSA fertilizers. PMID:15729821
Li, Jianqi; Chang, Shixin; Liu, Tian; Jiang, Hongwei; Dong, Fang; Pei, Mengchao; Wang, Qianfeng; Wang, Yi
2016-01-01
Object The large echo spacing of unipolar readout gradients in current multiecho gradient-echo sequences for mapping fields in quantitative susceptibility mapping (QSM) can be reduced using bipolar readout gradients to improve acquisition efficiency. Materials and Methods Phase discrepancies between odd and even echoes in the bipolar readout gradients caused by non-ideal gradient behaviors were measured, modeled as polynomials in space and corrected for accordingly in field mapping. The bipolar approach for multiecho gradient-echo field mapping was compared with the unipolar approach for QSM. Results The odd-even-echo phase discrepancies were approximately constant along the phase encoding direction and linear along the readout and slice-selection directions. A simple linear phase correction in all three spatial directions was shown to enable accurate QSM in the human brain using a bipolar multiecho GRE sequence. Bipolar multiecho acquisition provides QSM in good quantitative agreement with unipolar acquisition while also reducing noise. Conclusion With a linear phase correction between odd-even echoes, bipolar readout gradients can be used in multiecho gradient-echo sequences for QSM. PMID:25408108
Chen, Zhenhua; Chen, Xun; Wu, Wei
2013-04-28
In this paper, by applying the reduced density matrix (RDM) approach for nonorthogonal orbitals developed in the first paper of this series, efficient algorithms for matrix elements between VB structures and energy gradients in valence bond self-consistent field (VBSCF) method were presented. Both algorithms scale only as nm(4) for integral transformation and d(2)n(β)(2) for VB matrix elements and 3-RDM evaluation, while the computational costs of other procedures are negligible, where n, m, d, and n(β )are the numbers of variable occupied active orbitals, basis functions, determinants, and active β electrons, respectively. Using tensor properties of the energy gradients with respect to the orbital coefficients presented in the first paper of this series, a partial orthogonal auxiliary orbital set was introduced to reduce the computational cost of VBSCF calculation in which orbitals are flexibly defined. Test calculations on the Diels-Alder reaction of butadiene and ethylene have shown that the novel algorithm is very efficient for VBSCF calculations. PMID:23635124
NASA Astrophysics Data System (ADS)
Moravek, A.; Foken, T.; Trebs, I.
2014-02-01
Peroxyacetyl nitrate (PAN) may constitute a significant fraction of reactive nitrogen in the atmosphere. Current knowledge about the biosphere-atmosphere exchange of PAN is limited and only few studies have investigated the deposition of PAN to terrestrial ecosystems. We developed a flux measurement system for the determination of biosphere-atmosphere exchange fluxes of PAN using both the hyperbolic relaxed eddy accumulation (HREA) method and the modified Bowen ratio (MBR) method. The system consists of a modified, commercially available gas chromatograph with electron capture detection (GC-ECD, Meteorologie Consult GmbH, Germany). Sampling was performed by trapping PAN onto two pre-concentration columns; during HREA operation one was used for updraft and one for downdraft events and during MBR operation the two columns allowed simultaneous sampling at two measurement heights. The performance of the PAN flux measurement system was tested at a natural grassland site, using fast response ozone (O3) measurements as a proxy for both methods. The measured PAN fluxes were comparatively small (daytime PAN deposition was on average -0.07 nmol m-2 s-1 and, thus, prone to significant uncertainties. A major challenge in the design of the system was the resolution of the small PAN mixing ratio differences. Consequently, the study focuses on the performance of the analytical unit and a detailed analysis of errors contributing to the overall uncertainty. The error of the PAN mixing ratio differences ranged from 4 to 15 ppt during the MBR and between 18 and 26 ppt during the HREA operation, while during daytime measured PAN mixing ratios were of similar magnitude. Choosing optimal settings for both the MBR and HREA method, the study shows that the HREA method did not have a significant advantage towards the MBR method under well mixed conditions as it was expected.
NASA Astrophysics Data System (ADS)
Moravek, A.; Foken, T.; Trebs, I.
2014-07-01
Peroxyacetyl nitrate (PAN) may constitute a significant fraction of reactive nitrogen in the atmosphere. Current knowledge about the biosphere-atmosphere exchange of PAN is limited, and only few studies have investigated the deposition of PAN to terrestrial ecosystems. We developed a flux measurement system for the determination of biosphere-atmosphere exchange fluxes of PAN using both the hyperbolic relaxed eddy accumulation (HREA) method and the modified Bowen ratio (MBR) method. The system consists of a modified, commercially available gas chromatograph with electron capture detection (GC-ECD, Meteorologie Consult GmbH, Germany). Sampling was performed by trapping PAN onto two pre-concentration columns; during HREA operation one was used for updraft and one for downdraft events, and during MBR operation the two columns allowed simultaneous sampling at two measurement heights. The performance of the PAN flux measurement system was tested at a natural grassland site, using fast-response ozone (O3) measurements as a proxy for both methods. The measured PAN fluxes were comparatively small (daytime PAN deposition was on average -0.07 nmol m-2 s-1) and, thus, prone to significant uncertainties. A major challenge in the design of the system was the resolution of the small PAN mixing ratio differences. Consequently, the study focuses on the performance of the analytical unit and a detailed analysis of errors contributing to the overall uncertainty. The error of the PAN mixing ratio differences ranged from 4 to 15 ppt during the MBR and between 18 and 26 ppt during the HREA operation, while during daytime measured PAN mixing ratios were of similar magnitude. Choosing optimal settings for both the MBR and HREA method, the study shows that the HREA method did not have a significant advantage towards the MBR method under well-mixed conditions as was expected.
Benthic macroinvertebrates are sampled in streams and rivers as one of the assessment elements of the U.S. Environmental Protection Agency’s National Aquatic Resource Surveys. In a 2006 report, the recommendation was made that different yet comparable methods be evaluated for di...
Montcalm, Claude; Folta, James Allen; Walton, Christopher Charles
2003-12-23
A method and system for determining a source flux modulation recipe for achieving a selected thickness profile of a film to be deposited (e.g., with highly uniform or highly accurate custom graded thickness) over a flat or curved substrate (such as concave or convex optics) by exposing the substrate to a vapor deposition source operated with time-varying flux distribution as a function of time. Preferably, the source is operated with time-varying power applied thereto during each sweep of the substrate to achieve the time-varying flux distribution as a function of time. Preferably, the method includes the steps of measuring the source flux distribution (using a test piece held stationary while exposed to the source with the source operated at each of a number of different applied power levels), calculating a set of predicted film thickness profiles, each film thickness profile assuming the measured flux distribution and a different one of a set of source flux modulation recipes, and determining from the predicted film thickness profiles a source flux modulation recipe which is adequate to achieve a predetermined thickness profile. Aspects of the invention include a computer-implemented method employing a graphical user interface to facilitate convenient selection of an optimal or nearly optimal source flux modulation recipe to achieve a desired thickness profile on a substrate. The method enables precise modulation of the deposition flux to which a substrate is exposed to provide a desired coating thickness distribution.
Gradient algorithm applied to laboratory quantum control
Roslund, Jonathan; Rabitz, Herschel
2009-05-15
The exploration of a quantum control landscape, which is the physical observable as a function of the control variables, is fundamental for understanding the ability to perform observable optimization in the laboratory. For high control variable dimensions, trajectory-based methods provide a means for performing such systematic explorations by exploiting the measured gradient of the observable with respect to the control variables. This paper presents a practical, robust, easily implemented statistical method for obtaining the gradient on a general quantum control landscape in the presence of noise. In order to demonstrate the method's utility, the experimentally measured gradient is utilized as input in steepest-ascent trajectories on the landscapes of three model quantum control problems: spectrally filtered and integrated second harmonic generation as well as excitation of atomic rubidium. The gradient algorithm achieves efficiency gains of up to approximately three times that of the standard genetic algorithm and, as such, is a promising tool for meeting quantum control optimization goals as well as landscape analyses. The landscape trajectories directed by the gradient should aid in the continued investigation and understanding of controlled quantum phenomena.
The effect of density gradients on hydrometers
NASA Astrophysics Data System (ADS)
Heinonen, Martti; Sillanpää, Sampo
2003-05-01
Hydrometers are simple but effective instruments for measuring the density of liquids. In this work, we studied the effect of non-uniform density of liquid on a hydrometer reading. The effect induced by vertical temperature gradients was investigated theoretically and experimentally. A method for compensating for the effect mathematically was developed and tested with experimental data obtained with the MIKES hydrometer calibration system. In the tests, the method was found reliable. However, the reliability depends on the available information on the hydrometer dimensions and density gradients.
Gradient zone-boundary control in salt-gradient solar ponds
Hull, J.R.
1982-09-29
A method and apparatus for suppressing zone boundary migration in a salt gradient solar pond includes extending perforated membranes across the pond at the boundaries, between the convective and non-convective zones, the perforations being small enough in size to prevent individual turbulence disturbances from penetrating the hole, but being large enough to allow easy molecular diffusion of salt thereby preventing the formation of convective zones in the gradient layer. The total area of the perforations is a sizeable fraction of the membrane area to allow sufficient salt diffusion while preventing turbulent entrainment into the gradient zone.
NASA Astrophysics Data System (ADS)
Blesman, A. I.; Postnikov, D. V.; Polonyankin, D. A.
2015-04-01
To increase the life cycle of the constructional steel products working at high temperatures in air environment the combined ion-plasma method of surface modification was elaborated. Using the method described in the paper, constructional steel J24056 samples with different refractory metal coatings such as molybdenum and tantalum and film-thickness up to 10 microns were prepared. The calculations of the temperature distribution and the tension on the depth of the specified sample brand coated steel were performed. The research of oxygen distribution in the surface layer after high temperature annealing in an air atmosphere has been conducted. An estimation model of the oxygen distribution within the grains in a binary steel-coating system is proposed in the paper.
Barron, Leon P; McEneff, Gillian L
2016-01-15
For the first time, the performance of a generalised artificial neural network (ANN) approach for the prediction of 2492 chromatographic retention times (tR) is presented for a total of 1117 chemically diverse compounds present in a range of complex matrices and across 10 gradient reversed-phase liquid chromatography-(high resolution) mass spectrometry methods. Probabilistic, generalised regression, radial basis function as well as 2- and 3-layer multilayer perceptron-type neural networks were investigated to determine the most robust and accurate model for this purpose. Multi-layer perceptrons most frequently yielded the best correlations in 8 out of 10 methods. Averaged correlations of predicted versus measured tR across all methods were R(2)=0.918, 0.924 and 0.898 for the training, verification and test sets respectively. Predictions of blind test compounds (n=8-84 cases) resulted in an average absolute accuracy of 1.02±0.54min for all methods. Within this variation, absolute accuracy was observed to marginally improve for shorter runtimes, but was found to be relatively consistent with respect to analyte retention ranges (~5%). Finally, optimised and replicated network dependency on molecular descriptor data is presented and critically discussed across all methods. Overall, ANNs were considered especially suitable for suspects screening applications and could potentially be utilised in bracketed-type analyses in combination with high resolution mass spectrometry. PMID:26592605
Bicrystals with strain gradient effects
Shu, J.Y.
1997-01-09
Boundary between two perfectly bonded single crystals plays an important role in determining the deformation of the bicrystals. This work addresses the role of the grain boundary by considering the elevated hardening of a slip system due to a slip gradient. The slip gradients are associated with geometrically necessary dislocations and their effects become pronounced when a representative length scale of the deformation field is comparable to the dominant microstructural length scale of a material. A new rate-dependent crystal plasticity theory is presented and has been implemented within the finite element method framework. A planar bicrystal under uniform in-plane loading is studied using the new crystal theory. The strain is found to be continuous but nonuniform within a boundary layer around the interface. The lattice rotation is also nonuniform within the boundary layer. The width of the layer is determined by the misorientation of the grains, the hardening of slip systems, and most importantly by the characteristic material length scales. The overall yield strength of the bicrystal is also obtained. A significant grain-size dependence of the yield strength, the Hall- Petch effect is predicted.
Kobayashi, Naoharu; Goerke, Ute; Wang, Luning; Ellermann, Jutta; Metzger, Gregory J.; Garwood, Michael
2015-01-01
Image blurring due to off-resonance and fast T2* signal decay is a common issue in radial ultrashort echo time MRI sequences. One solution is to use a higher readout bandwidth, but this may be impractical for some techniques like pointwise encoding time reduction with radial acquisition (PETRA), which is a hybrid method of zero echo time and single point imaging techniques. Specifically, PETRA has severe specific absorption rate (SAR) and radiofrequency (RF) pulse peak power limitations when using higher bandwidths in human measurements. In this study, we introduce gradient modulation (GM) to PETRA to reduce image blurring artifacts while keeping SAR and RF peak power low. Tolerance of GM-PETRA to image blurring was evaluated in simulations and experiments by comparing with the conventional PETRA technique. We performed inner ear imaging of a healthy subject at 7T. GM-PETRA showed significantly less image blurring due to off-resonance and fast T2* signal decay compared to PETRA. In in vivo imaging, GM-PETRA nicely captured complex structures of the inner ear such as the cochlea and semicircular canals. Gradient modulation can improve the PETRA image quality and mitigate SAR and RF peak power limitations without special hardware modification in clinical scanners. PMID:26771005
Yoo, Yeon Hwa; Kim, Hak-Sun; Lee, Young Han; Yoon, Choon-Sik; Paek, Mun Young; Yoo, Hanna; Kannengiesser, Stephan; Chung, Tae-Sub; Song, Ho-Taek; Suh, Jin-Suck
2015-01-01
Objective To assess whether multi-echo Dixon magnetic resonance (MR) imaging with simultaneous T2* estimation and correction yields more accurate fat-signal fraction (FF) measurement of the lumbar paravertebral muscles, in comparison with non-T2*-corrected two-echo Dixon or T2*-corrected three-echo Dixon, using the FF measurements from single-voxel MR spectroscopy as the reference standard. Materials and Methods Sixty patients with low back pain underwent MR imaging with a 1.5T scanner. FF mapping images automatically obtained using T2*-corrected Dixon technique with two (non-T2*-corrected), three, and six echoes, were compared with images from single-voxel MR spectroscopy at the paravertebral muscles on levels L4 through L5. FFs were measured directly by two radiologists, who independently drew the region of interest on the mapping images from the three sequences. Results A total of 117 spectroscopic measurements were performed either bilaterally (57 of 60 subjects) or unilaterally (3 of 60 subjects). The mean spectroscopic FF was 14.3 ± 11.7% (range, 1.9-63.7%). Interobserver agreement was excellent between the two radiologists. Lin's concordance correlation between the spectroscopic findings and all the imaging-based FFs were statistically significant (p < 0.001). FFs obtained from the T2*-corrected six-echo Dixon sequences showed a significantly better concordance with the spectroscopic data, with its concordance correlation coefficient being 0.99 and 0.98 (p < 0.001), as compared with two- or three-echo methods. Conclusion T2*-corrected six-echo Dixon sequence would be a better option than two- or three-echo methods for noninvasive quantification of lumbar muscle fat quantification. PMID:26357503
Conjugate gradient algorithms using multiple recursions
Barth, T.; Manteuffel, T.
1996-12-31
Much is already known about when a conjugate gradient method can be implemented with short recursions for the direction vectors. The work done in 1984 by Faber and Manteuffel gave necessary and sufficient conditions on the iteration matrix A, in order for a conjugate gradient method to be implemented with a single recursion of a certain form. However, this form does not take into account all possible recursions. This became evident when Jagels and Reichel used an algorithm of Gragg for unitary matrices to demonstrate that the class of matrices for which a practical conjugate gradient algorithm exists can be extended to include unitary and shifted unitary matrices. The implementation uses short double recursions for the direction vectors. This motivates the study of multiple recursion algorithms.
Riemann, Rachel; Liknes, Greg; O'Neil-Dunne, Jarlath; Toney, Chris; Lister, Tonya
2016-05-01
Tree canopy cover significantly affects human and wildlife habitats, local hydrology, carbon cycles, fire behavior, and ecosystem services of all types. In addition, changes in tree canopy cover are both indicators and consequences of a wide variety of disturbances from urban development to climate change. There is growing demand for this information nationwide and across all land uses. The extensive inventory plot system managed by the USDA Forest Service Forest Inventory and Analysis (FIA) offers a unique opportunity for acquiring unbiased tree canopy cover information across broad areas. However, the estimates it produces had not yet been examined for comparative accuracy with other sources. In this study, we compared four different methods readily available and with significant potential for application over broad areas. The first two, field-collected and photointerpreted, are currently acquired by FIA on approximately 44,000 plots annually nationwide. The third method is a stem-mapping approach that models tree canopy cover from variables regularly measured on forested plots and is efficient enough to calculate nationwide. The fourth is a Geographic-Object-Based Image Analysis (GEOBIA) approach that uses both high-resolution imagery and leaf-off LiDAR data and has reported very high accuracies and spatial detail at state-wide levels of application. Differences in the spatial and temporal resolution and coverage of these four datasets suggest that they could provide complementary information if their relationships could be better understood. Plot- and county-level estimates of tree canopy cover derived from each of the four data sources were compared for 11 counties in Maryland, Pennsylvania, and West Virginia across a range of urbanization levels. We found high levels of systematic agreement between field and photointerpreted, stem-mapped and field, photointerpreted and GEOBIA estimates. In several cases, the relationship changed with the level of tree canopy
Yoshie, S; Noda, N; Miyano, T; Tsuneda, S; Hirata, A; Inamori, Y
2001-01-01
The metallurgic wastewater generated from the processes of recovering precious metals from industrial wastes contains high concentrations of nitrogen compounds and salts. Biological nitrogen removal from this wastewater was attempted using a circulating bioreactor system equipped with an anaerobic packed bed or an anaerobic fluidized bed. The denitrification capability of the system with the anaerobic packed bed was more stable than that of the system with the anaerobic fluidized bed. The NOx removal rate of the anaerobic packed bed was as high as 97%. Microbial community analysis by denaturing gradient gel electrophoresis (DGGE) of PCR-amplified 16S ribosomal DNA (rDNA) fragments and the cultivation method revealed that the community diversity varied in accordance with wastewater composition such as the level of salinity and so on. Phylogenetic analysis suggested that the taxonomic affiliation of the dominant species in the anaerobic reactors was to the gamma-Proteobacteria including Halomonadaceae species. The PCR-DGGE method as a non-cultivation method was found to be a powerful tool for analysis of the microbial community, because the cultivation method could detect only a fraction of the microbial species present in these systems. The genetic diversity of the isolated bacteria belonging to the gamma-Proteobacteria which reduced both nitrate and nitrite in the anaerobic packed bed was higher than that of the bacteria in the anaerobic fluidized bed. This suggested that a genetically diverse microbial community stabilized the denitrifying performance in the anaerobic packed bed. PMID:16233109
Paglieroni, David W.; Manay, Siddharth
2011-12-20
A stochastic method and system for detecting polygon structures in images, by detecting a set of best matching corners of predetermined acuteness .alpha. of a polygon model from a set of similarity scores based on GDM features of corners, and tracking polygon boundaries as particle tracks using a sequential Monte Carlo approach. The tracking involves initializing polygon boundary tracking by selecting pairs of corners from the set of best matching corners to define a first side of a corresponding polygon boundary; tracking all intermediate sides of the polygon boundaries using a particle filter, and terminating polygon boundary tracking by determining the last side of the tracked polygon boundaries to close the polygon boundaries. The particle tracks are then blended to determine polygon matches, which may be made available, such as to a user, for ranking and inspection.
NASA Astrophysics Data System (ADS)
Rui, Yang; Wanqi, Jie; Xiaoyan, Sun; Min, Yang
2015-09-01
The properties of undoped, Cr-doped, and In-doped bulk ZnTe crystals grown by the TGSG method were compared. Cr/In-doping leads to a slight red-shift of the absorption edge. Cr-doping also creates two characteristic absorption bands, centered at about 1750 nm and beneath the fundamental absorption edge. However, the fundamental reflectance spectra are not sensitive to the dopants. The resistivity of undoped, Cr-doped, and In-doped ZnTe is about 102 Ω·cm, 103 Ω·cm, and 108 Ω·cm, respectively. Only In-doped ZnTe has an IR transmittance higher than 60% in the range of 500 to 4000 cm-1. However, the IR transmittance of Cr-doped ZnTe is very low and decreases greatly as the wavenumber increases, which is mainly attributed to the scattering effects caused by some defects generated by Cr-doping. Project supported by the National Basic Research Program of China (No. 2011CB610406), the National Natural Science Foundation of China (No. 51372205), the 111 Project of China (No. B08040), the Specialized Research Fund for the Doctoral Program of Higher Education of China (No. 20116102120014), and the NWPU Foundation for Fundamental Research and the Research Fund of the State Key Laboratory of Solidification Processing (NWPU).
Density gradient expansion of correlation functions
NASA Astrophysics Data System (ADS)
van Leeuwen, Robert
2013-04-01
We present a general scheme based on nonlinear response theory to calculate the expansion of correlation functions such as the pair-correlation function or the exchange-correlation hole of an inhomogeneous many-particle system in terms of density derivatives of arbitrary order. We further derive a consistency condition that is necessary for the existence of the gradient expansion. This condition is used to carry out an infinite summation of terms involving response functions up to infinite order from which it follows that the coefficient functions of the gradient expansion can be expressed in terms of the local density profile rather than the background density around which the expansion is carried out. We apply the method to the calculation of the gradient expansion of the one-particle density matrix to second order in the density gradients and recover in an alternative manner the result of Gross and Dreizler [Gross and Dreizler, Z. Phys. AZPAADB0340-219310.1007/BF01413038 302, 103 (1981)], which was derived using the Kirzhnits method. The nonlinear response method is more general and avoids the turning point problem of the Kirzhnits expansion. We further give a description of the exchange hole in momentum space and confirm the wave vector analysis of Langreth and Perdew [Langreth and Perdew, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.21.5469 21, 5469 (1980)] for this case. This is used to derive that the second-order gradient expansion of the system averaged exchange hole satisfies the hole sum rule and to calculate the gradient coefficient of the exchange energy without the need to regularize divergent integrals.
Using the gradient histogram to analyze the continuous phase plate
NASA Astrophysics Data System (ADS)
Yang, Chunlin
2015-01-01
The geometrical optical method has been used to discuss the far-field distribution characteristics of a continuous phase plate. The gradient histogram of the plate’s surface has been calculated. It has been proved that the gradient histogram can be used to show the angular spectrum of a phase plate. The gradient histogram can simplify the analysis process of the angular spectrum and describe the focal spot morphology more intuitively.
Energy Science and Technology Software Center (ESTSC)
2006-11-17
Software that simulates and inverts electromagnetic field data for subsurface electrical properties (electrical conductivity) of geological media. The software treats data produced by a time harmonic source field excitation arising from the following antenna geometery: loops and grounded bipoles, as well as point electric and magnetic dioples. The inversion process is carried out using a non-linear conjugate gradient optimization scheme, which minimizes the misfit between field data and model data using a least squares criteria.more » The software is an upgrade from the code NLCGCS_MP ver 1.0. The upgrade includes the following components: Incorporation of new 1 D field sourcing routines to more accurately simulate the 3D electromagnetic field for arbitrary geologic& media, treatment for generalized finite length transmitting antenna geometry (antennas with vertical and horizontal component directions). In addition, the software has been upgraded to treat transverse anisotropy in electrical conductivity.« less
NASA Astrophysics Data System (ADS)
Brüsewitz, C.; Vetter, U.; Hofsäss, H.
2015-02-01
We present ab-initio calculations of the independent components of gradient elastic tensors, so-called gradient elastic constants, which relate electric field gradient tensors to stress or strain tensors. The constants of cubic and hexagonal metals, MAX phases, and zinc oxide were determined within the framework of density functional theory by using the augmented plane waves plus local orbitals method implemented in the WIEN2k code. Comparison with experimental gradient elastic constants and electric field gradients' stress dependencies suggest an accuracy of about 30% of the calculated constants, independent of the probe that detects the field gradient being self- or foreign-atom. Changes in the electric field gradient take place by strain-induced asymmetric occupations of the p and d states in the valence region for all investigated materials. Volume and structural dependencies of the electric field gradient can directly be determined from this fundamental approach and are, for hexagonal closed packed metals, consistent with vanishing electric field gradients around ideal close packing and volume dependencies larger than one. The concept of these calculations is applicable in any hyperfine interaction method and, thus, can be used to gain information about intrinsic strains in systems where the experimental gradient elastic constants are inaccessible.
Tectorial Membrane Stiffness Gradients
Richter, Claus-Peter; Emadi, Gulam; Getnick, Geoffrey; Quesnel, Alicia; Dallos, Peter
2007-01-01
The mammalian inner ear processes sound with high sensitivity and fine resolution over a wide frequency range. The underlying mechanism for this remarkable ability is the “cochlear amplifier”, which operates by modifying cochlear micromechanics. However, it is largely unknown how the cochlea implements this modification. Although gradual improvements in experimental techniques have yielded ever-better descriptions of gross basilar membrane vibration, the internal workings of the organ of Corti and of the tectorial membrane have resisted exploration. Although measurements of cochlear function in mice with a gene mutation for α-tectorin indicate the tectorial membrane's key role in the mechanoelectrical transformation by the inner ear, direct experimental data on the tectorial membrane's physical properties are limited, and only a few direct measurements on tectorial micromechanics are available. Using the hemicochlea, we are able to show that a tectorial membrane stiffness gradient exists along the cochlea, similar to that of the basilar membrane. In artificial perilymph (but with low calcium), the transversal and radial driving point stiffnesses change at a rate of –4.0 dB/mm and −4.9 dB/mm, respectively, along the length of the cochlear spiral. In artificial endolymph, the stiffness gradient for the transversal component was –3.4 dB/mm. Combined with the changes in tectorial membrane dimensions from base to apex, the radial stiffness changes would be able to provide a second frequency-place map in the cochlea. Young's modulus, which was obtained from measurements performed in the transversal direction, decreased by −2.6 dB/mm from base to apex. PMID:17496047
NASA Astrophysics Data System (ADS)
Ehara, Masahiro; Oyagi, Fumito; Abe, Yoko; Fukuda, Ryoichi; Nakatsuji, Hiroshi
2011-07-01
In this series of studies, we systematically apply the analytical energy gradients of the direct symmetry-adapted cluster-configuration interaction singles and doubles nonvariational method to calculate the equilibrium geometries and vibrational frequencies of excited and ionized states of molecules. The harmonic vibrational frequencies were calculated using the second derivatives numerically computed from the analytical first derivatives and the anharmonicity was evaluated from the three-dimensional potential energy surfaces around the local minima. In this paper, the method is applied to the low-lying valence singlet and triplet excited states of HAX-type molecules, HCF, HCCl, HSiF, HSiCl, HNO, HPO, and their deuterium isotopomers. The vibrational level emission spectra of HSiF and DSiF and absorption spectra of HSiCl and DSiCl were also simulated within the Franck-Condon approximation and agree well with the experimental spectra. The results show that the present method is useful and reliable for calculating these quantities and spectra. The change in geometry in the excited states was qualitatively interpreted in the light of the electrostatic force theory. The effect of perturbation selection with the localized molecular orbitals on the geometrical parameters and harmonic vibrational frequencies is also discussed.
Choi, Hyeyoung; Kim, Suncheun; Ahn, Suyoun; Chang, Hyejin; Lee, Sangki; Lee, Yongmoon
2016-02-01
Phenylalkylamine derivatives, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), phentermine, fenfluramine, phendimetrazine, amfepramone, and ketamine, are widely abused recreational or anorectic drugs in Korea, and their abuse has become a serious social problem. Hair is a useful specimen to prove chronic use and liquid chromatography-tandem mass spectrometry (LC-MS/MS) has recently become a more popular tool for hair analysis due to sensitivity and simplicity in sample preparation. In order to overcome limitations of standard reversed-phase column to separate low molecular weight amines, we adopted a multi-mode reversed-phase column, Scherzo SS-C18, which was composed of strong ionic ligands and C18 ligands, and used pH gradient elution to separate seven psychotropic phenylalkylamines and their metabolites. The essential validation parameters including selectivity, LOD, LLOQ, linearity, intra- and inter-assay precision and accuracy, recovery, and the matrix effect were satisfactory. The LODs ranged from 0.1ng/5mg hair (diethylnorephedrine, fenfluramine, ketamine, and MA) to 0.5ng/5mg hair (amfepramone, MDA, phendimetrazine, and phentermine). The LLOQs were 1ng/5mg hair for all analytes. The developed method was successfully applied to determination of phenylalkylamines in authentic hair samples analyzed previously by a routine gas chromatography/mass spectrometry (GC-MS) method. A good correlation was observed between the two methods, with a slope near one. PMID:26760907
HOT PRESSING WITH A TEMPERATURE GRADIENT
Hausner, H.H.
1958-05-20
A method is described for producing powder metal compacts with a high length to width ratio, which are of substantially uniform density. The process consists in arranging a heating coil around the die and providing a temperature gradient along the length of the die with the highest temperature at the point of the compact farthest away from the ram or plunger.
Examining the Education Gradient in Chronic Illness
ERIC Educational Resources Information Center
Chatterji, Pinka; Joo, Heesoo; Lahiri, Kajal
2015-01-01
We examine the education gradient in diabetes, hypertension, and high cholesterol. We take into account diagnosed as well as undiagnosed cases and use methods accounting for the possibility of unmeasured factors that are correlated with education and drive both the likelihood of having illness and the propensity to be diagnosed. Data come from the…
Elsebaei, Fawzi; Zhu, Yan
2011-07-15
The development of a reversed phase liquid chromatographic method for the simultaneous determination of seven angiotensin converting enzyme (ACE) inhibitors; five drugs namely benazepril HCl (BZL), enalapril maleate (ENL), fosinopril sodium (FSP), lisinopril (LSP) and ramipril (RMP) and two metabolites captopril disulfide (CPD) and enalaprilat (ENT) together with hydrochlorothiazide (HCT) is described. The method can serve as a substitute for many published papers for the analysis of the targeted compounds with or without hydrochloothiazide in pharmaceutical formulations as well as in spiked human plasma and urine samples. The method utilizes a simple gradient procedure for the separation in a 11 min run time using acetonitrile aqueous ammonia buffer (pH 9) solution and an Extend RP-C18 (25 μm particle size, 4.6 mm×250 mm, Agilent) HPLC column. The effluent was monitored on a UV detector at 215 nm. The effect of pH, solvent strength and analysis time on the peak shape and quantification were carefully studied in order to optimize the method. Adopting the proposed procedure, the analytes produce well-shaped peaks with good linear relationship over the investigated concentration ranges. The limits of detection (LOD) and limits of quantification (LOQ) from standard drug solutions lie in the range of 17-64 and 56-212 ng mL(-1), respectively. Correlation coefficient values (r) higher than 0.997 were obtained for all the studied drugs in spiked human plasma and urine samples. The intra-day and inter-day precision of the method was evaluated with relative standard deviation values being satisfactory for their purposed analysis. The method was validated with respect to specificity, recovery, accuracy, precision and linearity. PMID:21645680
Vertical gradients of sunspot magnetic fields
NASA Astrophysics Data System (ADS)
Hagyard, M. J.; Teuber, D.; West, E. A.; Tandberg-Hanssen, E.; Henze, W., Jr.; Beckers, J. M.; Bruner, M.; Hyder, C. L.; Woodgate, B. E.
1983-04-01
The results of a Solar Maximum Mission (SMM) guest investigation to determine the vertical gradients of sunspot magnetic fields for the first time from coordinated observations of photospheric and transition-region fields are described. Descriptions are given of both the photospheric vector field of a sunspot, derived from observations using the NASA Marshall Space Flight Center vector magnetograph, and of the line-of-sight component in the transition region, obtained from the SMM Ultraviolet Spectrometer and Polarimeter instrument. On the basis of these data, vertical gradients of the line-of-sight magnetic field component are calculated using three methods. It is found that the vertical gradient of Bz is lower than values from previous studies and that the transition-region field occurs at a height of approximately 4000-6000 km above the photosphere.
Vertical gradients of sunspot magnetic fields
NASA Technical Reports Server (NTRS)
Hagyard, M. J.; Teuber, D.; West, E. A.; Tandberg-Hanssen, E.; Henze, W., Jr.; Beckers, J. M.; Bruner, M.; Hyder, C. L.; Woodgate, B. E.
1983-01-01
The results of a Solar Maximum Mission (SMM) guest investigation to determine the vertical gradients of sunspot magnetic fields for the first time from coordinated observations of photospheric and transition-region fields are described. Descriptions are given of both the photospheric vector field of a sunspot, derived from observations using the NASA Marshall Space Flight Center vector magnetograph, and of the line-of-sight component in the transition region, obtained from the SMM Ultraviolet Spectrometer and Polarimeter instrument. On the basis of these data, vertical gradients of the line-of-sight magnetic field component are calculated using three methods. It is found that the vertical gradient of Bz is lower than values from previous studies and that the transition-region field occurs at a height of approximately 4000-6000 km above the photosphere.
Color gradient background oriented schlieren imaging
NASA Astrophysics Data System (ADS)
Mier, Frank Austin; Hargather, Michael
2015-11-01
Background oriented schlieren (BOS) imaging is a method of visualizing refractive disturbances through the comparison of digital images. By comparing images with and without a refractive disturbance visualizations can be achieved via a range of image processing methods. Traditionally, backgrounds consist of random distributions of high contrast speckle patterns. To image a refractive disturbance, a digital image correlation algorithm is used to identify the location and magnitude of apparent pixel shifts in the background pattern. Here a novel method of using color gradient backgrounds is explored as an alternative. The gradient background eliminates the need to perform an image correlation between the two digital images, as simple image subtraction can be used to identify the location, magnitude, and direction of the image distortions. This allows for quicker processing. Two-dimensional gradient backgrounds using multiple colors are shown. The gradient backgrounds are demonstrated to provide quantitative data limited only by the camera's pixel resolution, whereas speckle backgrounds limit resolution to the size of the random pattern features and image correlation window size. Additional results include the use of a computer screen as a background.
Age and metallicity gradients in fossil ellipticals
NASA Astrophysics Data System (ADS)
Eigenthaler, P.; Zeilinger, W. W.
2013-05-01
Context. Fossil galaxy groups are speculated to be old and highly evolved systems of galaxies that formed early in the universe and had enough time to deplete their L∗ galaxies through successive mergers of member galaxies, building up one massive central elliptical, but retaining the group X-ray halo. Aims: Considering that fossils are the remnants of mergers in ordinary groups, the merger history of the progenitor group is expected to be imprinted in the fossil central galaxy (FCG). We present for the first time radial gradients of single-stellar population (SSP) ages and metallicites in a sample of FCGs to constrain their formation scenario. We also measure line-strength gradients for the strongest absorption features in these galaxies. Methods: We took deep spectra with the long-slit spectrograph ISIS at the William Herschel Telescope (WHT) for six FCGs. The obtained spectra are fit with Pegase HR SSP models within the full-spectrum fitting package ULySS yielding SSP ages and metallicities of the stellar populations. We measure radial gradients of SSP ages and metallicities along the major axes. Lick indices are measured for the strongest absorption features to determine line-strength gradients and compare with the full-spectrum fitting results. Results: Our sample comprises some of the most massive galaxies in the universe exhibiting an average central velocity dispersion of σ0 = 271 ± 28 km s-1. Metallicity gradients are throughout negative with comparatively flat slopes of ∇[Fe/H] = -0.19 ± 0.08 while age gradients are found to be insignificant (∇age = 0.00 ± 0.05). All FCGs lie on the fundamental plane, suggesting that they are virialised systems. We find that gradient strengths and central metallicities are similar to those found in cluster ellipticals of similar mass. Conclusions: The comparatively flat metallicity gradients with respect to those predicted by monolithic collapse (∇Z = -0.5) suggest that fossils are indeed the result of
Integrated gravity and gravity gradient 3D inversion using the non-linear conjugate gradient
NASA Astrophysics Data System (ADS)
Qin, Pengbo; Huang, Danian; Yuan, Yuan; Geng, Meixia; Liu, Jie
2016-03-01
Gravity data, which are critical in mineral, oil, and gas exploration, are obtained from the vertical component of the gravity field, while gravity gradient data are measured from changes in the gravity field in three directions. However, few studies have sought to improve exploration techniques by integrating gravity and gravity gradient data using inversion methods. In this study, we developed a new method to integrate gravity and gravity gradient data in a 3D density inversion using the non-linear conjugate gradient (NLCG) method and the minimum gradient support (MGS) functional to regularize the 3D inverse problem and to obtain a clear and accurate image of the anomalous body. The NLCG algorithm, which is suitable for solving large-scale nonlinear optimization problems and requires no memory storage, was compared to the Broyden-Fletcher-Goldfarb-Shanno (BFGS) quasi-Newton algorithm and the results indicated that the convergence rate of NLCG is slower, but that the storage requirement and computation time is lower. To counteract the decay in kernel function, we introduced a depth weighting function for anomalous bodies at the same depth, with information about anomalous body depth obtained from well log and seismic exploration data. For anomalous bodies at different depths, we introduced a spatial gradient weighting function to incorporate additional information obtained in the inversion. We concluded that the spatial gradient weighting function enhanced the spatial resolution of the recovered model. Furthermore, our results showed that including multiple components for inversion increased the resolution of the recovered model. We validated our model by applying our inversion method to survey data from Vinton salt dome, Louisiana, USA. The results showed good agreement with known geologic information; thus confirming the accuracy of this approach.
Isolation of Early and Late Endosomes by Density Gradient Centrifugation.
de Araújo, Mariana E G; Lamberti, Giorgia; Huber, Lukas A
2015-11-01
Density gradient centrifugation is a common method for separating intracellular organelles. During centrifugation, organelles float or sediment until they reach their isopycnic position within the gradient. The density of an organelle depends on its content, size, shape, and the lipid:protein ratio. The degree of separation between different organelles will therefore be highly dependent on how different their isopycnic points are in a given buffer. Separation will also depend on the medium used to prepare the gradient, whether it is sucrose (the most common) or an alternative. Here we describe the use of both continuous and discontinuous (step) gradients to isolate endocytic organelles. PMID:26527762
Gradient index plasmonic ring resonator with high extinction ratio
NASA Astrophysics Data System (ADS)
Zhou, Zidong; He, Pengbin; Xu, Jinyou; Zhuang, Xiujuan; Li, Yunyun; Pan, Anlian
2014-02-01
We propose and investigate a compact gradient index plasmonic ring resonator (Grin PRR) with strong light confinement and extinction ratio based on finite element method (FEM). Theoretical simulation reveals that the change of index gradient influences the resonant frequency, Q factor and the mode volume. Significantly, it is demonstrated that the extinction ratio of Grin PRR can be optimized by varying the index gradient for any radius. Index gradient can enhance extinction ratio at settled size, so this structure has both high extinction ratio and smaller size footprint. It could be very promising for the high-density optical integration.
Fast computation of satellite gravitational gradient.
NASA Astrophysics Data System (ADS)
Lin, Qinchang; Yuan, Lin
1998-07-01
The computation of the Earth's potential function at high order and degree with the method of Cunningham (1970) causes overflow most of the time. The normalized method can eliminate the overflows, but leads to formulae much more involved than those in Cunningham's method; besides, the programming is more complex and the computer time required larger. The method presented has the following features: each component of the satellite gravitational gradient can be computed; the formulae are short and easy to be programmed; the method is much quicker than the normalization method and can be carried out with a microcomputer, without overflow even in the case of Earth's spherical harmonics of order and degree as high as 1025 or higher. This method satisfies the present demand to compute the satellite gravitational gradient with high accuracy. Furthermore, the authors present formulae for the fast computation, without overflow, of the gravitational gradient corresponding to Earth's spherical harmonics up to order and degree of 3170×3170 or higher.
Grotstein, J S
A discussion of "Some Communicative Properties of the Bipersonal Field" by Robert Langs, M.D. In response to Dr. Langs' delineation of the bipersonal field concept and his clinical elaboration of a triad of disorders which are graded into classifications of descending analyzability: Types A,B, and C fields. I confirm his thesis and endeavor to demonstrate some underlying foundations of his categorical assumptions, namely the conceptions of projective identification, of the intactness of the background object of primary identification, the conception of a dual-track theory of infantile development in order to delineate the parallel between the separated self and the continuation of primary identification, and the postulation of manic and schizoid types of narcissistic character disorders (Types B and C respectively). All of these conceptions are vicissitudes of the varying ways in which patients confront the depressive position of separation-individuation with rapprochement and, thereby, conform to a gradient in which symbolization interpretations can be utilized in analytic treatment. PMID:738806
Color gradient background-oriented schlieren imaging
NASA Astrophysics Data System (ADS)
Mier, Frank Austin; Hargather, Michael J.
2016-06-01
Background-oriented schlieren is a method of visualizing refractive disturbances by comparing digital images with and without a refractive disturbance distorting a background pattern. Traditionally, backgrounds consist of random distributions of high-contrast color transitions or speckle patterns. To image a refractive disturbance, a digital image correlation algorithm is used to identify the location and magnitude of apparent pixel shifts in the background pattern between the two images. Here, a novel method of using color gradient backgrounds is explored as an alternative that eliminates the need to perform a complex image correlation between the digital images. A simple image subtraction can be used instead to identify the location, magnitude, and direction of the image distortions. Gradient backgrounds are demonstrated to provide quantitative data only limited by the camera's pixel resolution, whereas speckle backgrounds limit resolution to the size of the random pattern features and image correlation window size. Quantitative measurement of density in a thermal boundary layer is presented. Two-dimensional gradient backgrounds using multiple colors are demonstrated to allow measurement of two-dimensional refractions. A computer screen is used as the background, which allows for rapid modification of the gradient to tune sensitivity for a particular application.
Density Gradients in Chemistry Teaching
ERIC Educational Resources Information Center
Miller, P. J.
1972-01-01
Outlines experiments in which a density gradient might be used to advantage. A density gradient consists of a column of liquid, the composition and density of which varies along its length. The procedure can be used in analysis of solutions and mixtures and in density measures of solids. (Author/TS)
Multilayer High-Gradient Insulators
Harris, J R
2006-08-16
Multilayer High-Gradient Insulators are vacuum insulating structures composed of thin, alternating layers of dielectric and metal. They are currently being developed for application to high-current accelerators and related pulsed power systems. This paper describes some of the High-Gradient Insulator research currently being conducted at Lawrence Livermore National Laboratory.
Empirical equation estimates geothermal gradients
Kutasov, I.M. )
1995-01-02
An empirical equation can estimate geothermal (natural) temperature profiles in new exploration areas. These gradients are useful for cement slurry and mud design and for improving electrical and temperature log interpretation. Downhole circulating temperature logs and surface outlet temperatures are used for predicting the geothermal gradients.
Inferring segmented dense motion layers using 5D tensor voting.
Min, Changki; Medioni, Gérard
2008-09-01
We present a novel local spatiotemporal approach to produce motion segmentation and dense temporal trajectories from an image sequence. A common representation of image sequences is a 3D spatiotemporal volume, (x,y,t), and its corresponding mathematical formalism is the fiber bundle. However, directly enforcing the spatiotemporal smoothness constraint is difficult in the fiber bundle representation. Thus, we convert the representation into a new 5D space (x,y,t,vx,vy) with an additional velocity domain, where each moving object produces a separate 3D smooth layer. The smoothness constraint is now enforced by extracting 3D layers using the tensor voting framework in a single step that solves both correspondence and segmentation simultaneously. Motion segmentation is achieved by identifying those layers, and the dense temporal trajectories are obtained by converting the layers back into the fiber bundle representation. We proceed to address three applications (tracking, mosaic, and 3D reconstruction) that are hard to solve from the video stream directly because of the segmentation and dense matching steps, but become straightforward with our framework. The approach does not make restrictive assumptions about the observed scene or camera motion and is therefore generally applicable. We present results on a number of data sets. PMID:18617717
Gradient elution in capillary electrochromatography
Anex, D.; Rakestraw, D.J.; Yan, Chao; Dadoo, R.; Zare, R.N.
1997-08-01
In analogy to pressure-driven gradient techniques in high-performance liquid chromatography, a system has been developed for delivering electroosmotically-driven solvent gradients for capillary electrochromatography (CEC). Dynamic gradients with sub-mL/min flow rates are generated by merging two electroosmotic flows that are regulated by computer-controlled voltages. These flows are delivered by two fused-silica capillary arms attached to a T-connector, where they mix and then flow into a capillary column that has been electrokinetically packed with 3-mm reversed-phase particles. The inlet of one capillary arm is placed in a solution reservoir containing one mobile phase and the inlet of the other is placed in a second reservoir containing a second mobile phase. Two independent computer-controlled programmable high-voltage power supplies (0-50 kV)--one providing an increasing ramp and the other providing a decreasing ramp--are used to apply variable high-voltage potentials to the mobile phase reservoirs to regulate the electroosmotic flow in each arm. The ratio of the electroosmotic flow rates between the two arms is changed with time according to the computer-controlled voltages to deliver the required gradient profile to the separation column. Experiments were performed to confirm the composition of the mobile phase during a gradient run and to determine the change of the composition in response to the programmed voltage profile. To demonstrate the performance of electroosmotically-driven gradient elution in CEC, a mixture of 16 polycyclic aromatic hydrocarbons (PAHs) was separated in less than 90 minutes. This gradient technique is expected to be well-suited for generating not only solvent gradients in CEC, but also other types of gradients such as pH- and ionic-strength gradients in capillary electrokinetic separations and analyses.
Wei, Chia-Li; Chao, Shiou-Huei; Tsai, Wen-Bin; Lee, Pei-Shan; Tsau, Nai-Hung; Chen, Jhih-Shan; Lai, Wen-Lin; Tu, James Ching-Yueh; Tsai, Ying-Chieh
2013-04-01
The diversity of bacteria associated with the fermentation of inyu, also known as black soy sauce, was studied through the nested PCR-denaturing gradient gel electrophoresis (DGGE) of samples collected from the fermentation stages of the inyu production process. The DGGE profiles targeted the bacterial 16S rDNA and revealed the presence of Citrobacter farmeri, Enterobacter cloacae, Enterobacter hormaechei, Enterococcus faecium, Klebsiella pneumoniae, Pantoea agglomerans, Salmonella enterica, Serratia marcescens, Staphylococcus sciuri and Weissella confusa. The bacterial compositions of 4 fermented samples were further elucidated using the plate count method. The bacteria isolated from the koji-making stage exhibited the highest diversity; Brachybacterium rhamnosum, E. hormaechei, K. pneumoniae, Kurthia gibsonii, Pantoea dispersa, Staphylococcus gallinarum, Staphylococcus kloosii and S. sciuri were identified. Koji collected during the preincubation stage presented the largest cell counts, and E. hormaechei, K. pneumoniae, E. cloacae and Enterobacter pulveris were identified. In brine samples aged for 7 and 31 days, the majority of the bacteria isolated belonged to 4 Bacillus species, but 4 Staphylococcus species and Delftia tsuruhatensis were also detected. This study demonstrates the benefits of using a combined approach to obtain a more complete picture of microbial populations and provides useful information for the control or development of bacterial flora during inyu fermentation. PMID:23200659
Transition length prediction for flows with rapidly changing pressure gradients
Solomon, W.J.; Walker, G.J.; Gostelow, J.P.
1996-10-01
A new method for calculating intermittency in transitional boundary layers with changing pressure gradients is proposed and tested against standard turbomachinery flow cases. It is based on recent experimental studies, which show the local pressure gradient parameter to have a significant effect on turbulent spot spreading angles and propagation velocities (and hence transition length). This can be very important for some turbomachinery flows. On a turbine blade suction surface, for example, it is possible for transition to start in a region of favorable pressure gradient and finish in a region of adverse pressure gradient. Calculation methods that estimate the transition length from the local pressure gradient parameter at the start of transition will seriously overestimate the transition length under these conditions. Conventional methods based on correlations of zero pressure gradient transition date are similarly inaccurate. The new calculation method continuously adjusts the spot growth parameters in response to changes in the local pressure gradient through transition using correlations based on data given in the companion paper by Gostelow et al. (1996). Recent experiment correlations of Gostelow et al. (1994a) are used to estimate the turbulent spot generation rate at the start of transition. The method has been incorporated in a linear combination integral computation and tested with good results on cases that report both the intermittency and surface pressure distribution data. It has resulted in a much reduced sensitivity to errors in predicting the start of the transition zone, and can be recommended for engineering use in calculating boundary layer development on axial turbomachine blades.
Natural equivalents of thermal gradient experiments
NASA Astrophysics Data System (ADS)
Rodríguez, Carmen; Geyer, Adelina; Castro, Antonio; Villaseñor, Antonio
2015-06-01
Crystallization experiments using the intrinsic thermal gradient in 10 mm length capsules loaded in piston-cylinder assemblies were used to investigate silicic magma crystallization. The application of experimental results to natural environments requires the scaling of physical parameters of petrological interest. Therefore, we propose here a comparative study between thermal gradients and numerical simulations of natural magma chambers. We use the Finite Element method to calculate thermal profiles across a cooling silicic magma chamber. These numerical profiles are compared with the intrinsic thermal structure of half-inch, piston-cylinder assemblies at 500 MPa. It is concluded that a set of varied magma chamber geometries and/or distinct stages of their cooling history can approach the intrinsic thermal structure of laboratory experiments. Once the thermal properties for magma and its host rock are fixed, the experimental-numerical approach is mostly dependent on the volume and aspect ratio of the magma chamber. Our results indicate, for instance, that a 10 mm length capsule with a thermal gradient of 40 °C/mm (from 1100 to 700 °C) may represent a 150-1100 m wide portion of a cooling magma chamber of 10-20 km diameter and 2-10 km height, emplaced at a depth of 18 km. Additional possible scenarios are represented by larger magma chambers, up to 30 km diameter, in which the experimental thermal gradient can represent a 150-3700 m-thin-section of the large igneous bodies.
Integrated calibration of magnetic gradient tensor system
NASA Astrophysics Data System (ADS)
Gang, Yin; Yingtang, Zhang; Hongbo, Fan; GuoQuan, Ren; Zhining, Li
2015-01-01
Measurement precision of a magnetic gradient tensor system is not only connected with the imperfect performance of magnetometers such as bias, scale factor, non-orthogonality and misalignment errors, but also connected with the external soft-iron and hard-iron magnetic distortion fields when the system is used as a strapdown device. So an integrated scalar calibration method is proposed in this paper. In the first step, a mathematical model for scalar calibration of a single three-axis magnetometer is established, and a least squares ellipsoid fitting algorithm is proposed to estimate the detailed error parameters. For the misalignment errors existing at different magnetometers caused by the installation process and misalignment errors aroused by ellipsoid fitting estimation, a calibration method for combined misalignment errors is proposed in the second step to switch outputs of different magnetometers into the ideal reference orthogonal coordinate system. In order to verify effectiveness of the proposed method, simulation and experiment with a cross-magnetic gradient tensor system are performed, and the results show that the proposed method estimates error parameters and improves the measurement accuracy of magnetic gradient tensor greatly.
High field gradient particle accelerator
Nation, John A.; Greenwald, Shlomo
1989-01-01
A high electric field gradient electron accelerator utilizing short duration, microwave radiation, and capable of operating at high field gradients for high energy physics applications or at reduced electric field gradients for high average current intermediate energy accelerator applications. Particles are accelerated in a smooth bore, periodic undulating waveguide, wherein the period is so selected that the particles slip an integral number of cycles of the r.f. wave every period of the structure. This phase step of the particles produces substantially continuous acceleration in a traveling wave without transverse magnetic or other guide means for the particle.
High field gradient particle accelerator
Nation, J.A.; Greenwald, S.
1989-05-30
A high electric field gradient electron accelerator utilizing short duration, microwave radiation, and capable of operating at high field gradients for high energy physics applications or at reduced electric field gradients for high average current intermediate energy accelerator applications is disclosed. Particles are accelerated in a smooth bore, periodic undulating waveguide, wherein the period is so selected that the particles slip an integral number of cycles of the r.f. wave every period of the structure. This phase step of the particles produces substantially continuous acceleration in a traveling wave without transverse magnetic or other guide means for the particle. 10 figs.
NASA Astrophysics Data System (ADS)
Vich, M.; Romero, R.; Richard, E.; Arbogast, P.; Maynard, K.
2010-09-01
Heavy precipitation events occur regularly in the western Mediterranean region. These events often have a high impact on the society due to economic and personal losses. The improvement of the mesoscale numerical forecasts of these events can be used to prevent or minimize their impact on the society. In previous studies, two ensemble prediction systems (EPSs) based on perturbing the model initial and boundary conditions were developed and tested for a collection of high-impact MEDEX cyclonic episodes. These EPSs perturb the initial and boundary potential vorticity (PV) field through a PV inversion algorithm. This technique ensures modifications of all the meteorological fields without compromising the mass-wind balance. One EPS introduces the perturbations along the zones of the three-dimensional PV structure presenting the local most intense values and gradients of the field (a semi-objective choice, PV-gradient), while the other perturbs the PV field over the MM5 adjoint model calculated sensitivity zones (an objective method, PV-adjoint). The PV perturbations are set from a PV error climatology (PVEC) that characterizes typical PV errors in the ECMWF forecasts, both in intensity and displacement. This intensity and displacement perturbation of the PV field is chosen randomly, while its location is given by the perturbation zones defined in each ensemble generation method. Encouraged by the good results obtained by these two EPSs that perturb the PV field, a new approach based on a manual perturbation of the PV field has been tested and compared with the previous results. This technique uses the satellite water vapor (WV) observations to guide the correction of initial PV structures. The correction of the PV field intents to improve the match between the PV distribution and the WV image, taking advantage of the relation between dark and bright features of WV images and PV anomalies, under some assumptions. Afterwards, the PV inversion algorithm is applied to run
Bioactive Molecule Prediction Using Extreme Gradient Boosting.
Babajide Mustapha, Ismail; Saeed, Faisal
2016-01-01
Following the explosive growth in chemical and biological data, the shift from traditional methods of drug discovery to computer-aided means has made data mining and machine learning methods integral parts of today's drug discovery process. In this paper, extreme gradient boosting (Xgboost), which is an ensemble of Classification and Regression Tree (CART) and a variant of the Gradient Boosting Machine, was investigated for the prediction of biological activity based on quantitative description of the compound's molecular structure. Seven datasets, well known in the literature were used in this paper and experimental results show that Xgboost can outperform machine learning algorithms like Random Forest (RF), Support Vector Machines (LSVM), Radial Basis Function Neural Network (RBFN) and Naïve Bayes (NB) for the prediction of biological activities. In addition to its ability to detect minority activity classes in highly imbalanced datasets, it showed remarkable performance on both high and low diversity datasets. PMID:27483216
Quantized Concentration Gradient in Picoliter Scale
NASA Astrophysics Data System (ADS)
Hong, Jong Wook
2010-10-01
Generation of concentration gradient is of paramount importance in the success of reactions for cell biology, molecular biology, biochemistry, drug-discovery, chemotaxis, cell culture, biomaterials synthesis, and tissue engineering. In conventional method of conducting reactions, the concentration gradients is achieved by using pipettes, test tubes, 96-well assay plates, and robotic systems. Conventional methods require milliliter or microliter volumes of samples for typical experiments with multiple and sequential reactions. It is a challenge to carry out experiments with precious samples that have strict limitations with the amount of samples or the price to pay for the amount. In order to overcome this challenge faced by the conventional methods, fluidic devices with micrometer scale channels have been developed. These devices, however, cause restrictions on changing the concentration due to the fixed gradient set based on fixed fluidic channels.ootnotetextJambovane, S.; Duin, E. C.; Kim, S-K.; Hong, J. W., Determination of Kinetic Parameters, KM and kcat, with a Single Experiment on a Chip. textitAnalytical Chemistry, 81, (9), 3239-3245, 2009.^,ootnotetextJambovane, S.; Hong, J. W., Lorenz-like Chatotic System on a Chip In The 14th International Conference on Miniaturized Systems for Chemistry and Life Sciences (MicroTAS), The Netherlands, October, 2010. Here, we present a unique microfluidic system that can generate quantized concentration gradient by using series of droplets generated by a mechanical valve based injection method.ootnotetextJambovane, S.; Rho, H.; Hong, J., Fluidic Circuit based Predictive Model of Microdroplet Generation through Mechanical Cutting. In ASME International Mechanical Engineering Congress & Exposition, Lake Buena Vista, Florida, USA, October, 2009.^,ootnotetextLee, W.; Jambovane, S.; Kim, D.; Hong, J., Predictive Model on Micro Droplet Generation through Mechanical Cutting. Microfluidics and Nanofluidics, 7, (3), 431-438, 2009
A turbulence model for nonequilibrium adverse pressure gradient flows
NASA Technical Reports Server (NTRS)
Horstman, C. C.
1976-01-01
This paper presents a method for calculating compressible adverse pressure gradient boundary layers by using an algebraic eddy viscosity turbulence model that has been modified for variable pressure gradient and turbulence memory effects. The pressure gradient corrections are based on previous incompressible data correlations. Several methods for including the effects of turbulence memory are evaluated. A new lag model, which gives good agreement with available experimental data, is developed. Finally, a correlation is developed for the lag length parameter employed in the model as a function of the known experimental flow variables.
Shadowgraph Study of Gradient Driven Fluctuations
NASA Technical Reports Server (NTRS)
Cannell, David; Nikolaenko, Gennady; Giglio, Marzio; Vailati, Alberto; Croccolo, Fabrizio; Meyer, William
2002-01-01
A fluid or fluid mixture, subjected to a vertical temperature and/or concentration gradient in a gravitational field, exhibits greatly enhanced light scattering at small angles. This effect is caused by coupling between the vertical velocity fluctuations due to thermal energy and the vertically varying refractive index. Physically, small upward or downward moving regions will be displaced into fluid having a refractive index different from that of the moving region, thus giving rise to the enhanced scattering. The scattered intensity is predicted to vary with scattering wave vector q, as q(sup -4), for sufficiently large q, but the divergence is quenched by gravity at small q. In the absence of gravity, the long wavelength fluctuations responsible for the enhanced scattering are predicted to grow until limited by the sample dimensions. It is thus of interest to measure the mean-squared amplitude of such fluctuations in the microgravity environment for comparison with existing theory and ground based measurements. The relevant wave vectors are extremely small, making traditional low-angle light scattering difficult or impossible because of stray elastically scattered light generated by optical surfaces. An alternative technique is offered by the shadowgraph method, which is normally used to visualize fluid flows, but which can also serve as a quantitative tool to measure fluctuations. A somewhat novel shadowgraph apparatus and the necessary data analysis methods will be described. The apparatus uses a spatially coherent, but temporally incoherent, light source consisting of a super-luminescent diode coupled to a single-mode optical fiber in order to achieve extremely high spatial resolution, while avoiding effects caused by interference of light reflected from the various optical surfaces that are present when using laser sources. Results obtained for a critical mixture of aniline and cyclohexane subjected to a vertical temperature gradient will be presented. The
Generalized gradient and contour program
Hellman, Marshall Strong
1972-01-01
This program computes estimates of gradients, prepares contour maps, and plots various sets of data provided by the user on the CalComp plotters. The gradients represent the maximum rates of change of a real variable Z=f(X,Y) with respect to the twodimensional rectangle on which the function is defined. The contours are lines of equal Z values. The program also plots special line data sets provided by the user.
Substrate-Bound Protein Gradients to Study Haptotaxis
Ricoult, Sébastien G.; Kennedy, Timothy E.; Juncker, David
2015-01-01
Cells navigate in response to inhomogeneous distributions of extracellular guidance cues. The cellular and molecular mechanisms underlying migration in response to gradients of chemical cues have been investigated for over a century. Following the introduction of micropipettes and more recently microfluidics for gradient generation, much attention and effort was devoted to study cellular chemotaxis, which is defined as guidance by gradients of chemical cues in solution. Haptotaxis, directional migration in response to gradients of substrate-bound cues, has received comparatively less attention; however, it is increasingly clear that in vivo many physiologically relevant guidance proteins – including many secreted cues – are bound to cellular surfaces or incorporated into extracellular matrix and likely function via a haptotactic mechanism. Here, we review the history of haptotaxis. We examine the importance of the reference surface, the surface in contact with the cell that is not covered by the cue, which forms a gradient opposing the gradient of the protein cue and must be considered in experimental designs and interpretation of results. We review and compare microfluidics, contact printing, light patterning, and 3D fabrication to pattern substrate-bound protein gradients in vitro. The range of methods to create substrate-bound gradients discussed herein makes possible systematic analyses of haptotactic mechanisms. Furthermore, understanding the fundamental mechanisms underlying cell motility will inform bioengineering approaches to program cell navigation and recover lost function. PMID:25870855
New head gradient coil design and construction techniques
Handler, William B; Harris, Chad T; Scholl, Timothy J; Parker, Dennis L; Goodrich, K Craig; Dalrymple, Brian; Van Sass, Frank; Chronik, Blaine A
2013-01-01
Purpose To design and build a head insert gradient coil to use in conjunction with body gradients for superior imaging. Materials and Methods The use of the Boundary Element Method to solve for a gradient coil wire pattern on an arbitrary surface has allowed us to incorporate engineering changes into the electromagnetic design of a gradient coil directly. Improved wire pattern design has been combined with robust manufacturing techniques and novel cooling methods. Results The finished coil had an efficiency of 0.15 mT/m/A in all three axes and allowed the imaging region to extend across the entire head and upper part of the neck. Conclusion The ability to adapt your electromagnetic design to necessary changes from an engineering perspective leads to superior coil performance. PMID:24123485
On the radial abundance gradients in discs of irregular galaxies
NASA Astrophysics Data System (ADS)
Pilyugin, L. S.; Grebel, E. K.; Zinchenko, I. A.
2015-07-01
We determine the radial abundance distributions across the discs of 14 irregular galaxies of the types Sm and Im (morphological T types 9 and 10) as traced by their H II regions. The oxygen and nitrogen abundances in H II regions are estimated through the Te method or/and with the counterpart method (C method). Moreover, we examine the correspondence between the radial abundance gradient and the surface brightness profile. We find that irregular galaxies with a flat inner profile (flat or outwardly increasing surface brightness in the central region) show shallow (if any) radial abundance gradients. On the other hand, irregular galaxies with a steep inner profile (with or without a bulge or central star cluster) usually show rather steep radial abundance gradients. This is in contrast to the widely held belief that irregular galaxies do not usually show a radial abundance gradient.
Estimation of coastal density gradients
NASA Astrophysics Data System (ADS)
Howarth, M. J.; Palmer, M. R.; Polton, J. A.; O'Neill, C. K.
2012-04-01
Density gradients in coastal regions with significant freshwater input are large and variable and are a major control of nearshore circulation. However their measurement is difficult, especially where the gradients are largest close to the coast, with significant uncertainties because of a variety of factors - spatial and time scales are small, tidal currents are strong and water depths shallow. Whilst temperature measurements are relatively straightforward, measurements of salinity (the dominant control of spatial variability) can be less reliable in turbid coastal waters. Liverpool Bay has strong tidal mixing and receives fresh water principally from the Dee, Mersey, Ribble and Conwy estuaries, each with different catchment influences. Horizontal and vertical density gradients are variable both in space and time. The water column stratifies intermittently. A Coastal Observatory has been operational since 2002 with regular (quasi monthly) CTD surveys on a 9 km grid, an situ station, an instrumented ferry travelling between Birkenhead and Dublin and a shore-based HF radar system measuring surface currents and waves. These measurements are complementary, each having different space-time characteristics. For coastal gradients the ferry is particularly useful since measurements are made right from the mouth of Mersey. From measurements at the in situ site alone density gradients can only be estimated from the tidal excursion. A suite of coupled physical, wave and ecological models are run in association with these measurements. The models, here on a 1.8 km grid, enable detailed estimation of nearshore density gradients, provided appropriate river run-off data are available. Examples are presented of the density gradients estimated from the different measurements and models, together with accuracies and uncertainties, showing that systematic time series measurements within a few kilometres of the coast are a high priority. (Here gliders are an exciting prospect for
Efficient gradient computation for dynamical models
Sengupta, B.; Friston, K.J.; Penny, W.D.
2014-01-01
Data assimilation is a fundamental issue that arises across many scales in neuroscience — ranging from the study of single neurons using single electrode recordings to the interaction of thousands of neurons using fMRI. Data assimilation involves inverting a generative model that can not only explain observed data but also generate predictions. Typically, the model is inverted or fitted using conventional tools of (convex) optimization that invariably extremise some functional — norms, minimum descriptive length, variational free energy, etc. Generally, optimisation rests on evaluating the local gradients of the functional to be optimized. In this paper, we compare three different gradient estimation techniques that could be used for extremising any functional in time — (i) finite differences, (ii) forward sensitivities and a method based on (iii) the adjoint of the dynamical system. We demonstrate that the first-order gradients of a dynamical system, linear or non-linear, can be computed most efficiently using the adjoint method. This is particularly true for systems where the number of parameters is greater than the number of states. For such systems, integrating several sensitivity equations – as required with forward sensitivities – proves to be most expensive, while finite-difference approximations have an intermediate efficiency. In the context of neuroimaging, adjoint based inversion of dynamical causal models (DCMs) can, in principle, enable the study of models with large numbers of nodes and parameters. PMID:24769182
NASA Astrophysics Data System (ADS)
Bell, M. D.; Sickman, J. O.; Allen, E. B.
2011-12-01
Previous studies performing dual isotopic analysis of nitrate in KCl soil extracts using denitrifying bacteria have not incorporated alterations in the method to compensate for the increased N2O blank produced when the bacteria are exposed to KCl in solution. When 1M KCl is used as a blank, the amount of N2O released from the concentrated bacteria solution is more than four times as high as when using a DI water blank. The excess N2O produced is not an artifact of nitrate impurity in the KCl, although the blank increases with the molarity of KCl up to 1M. The introduction of N2O gas is significant enough to alter the values of IAEA USGS standards (3 μg in 3ml KCl) which in turn results in an inaccurate regression for unknown samples. We reduced the size of the KCl blank and its effect on the standards by adding 3ml of KCl to the bacteria solution prior to purging the sample with He gas. This removes the N2O gas which is released by the bacteria when they initially come in contact with the KCl, and allows for standards to be calibrated to a precision of ± 0.1 % δ15N and ± 0.2 % δ18O. Using this new method, we measured δ15N and δ18O of nitrate in 1M KCl soil extracts taken from surface soil (5cm cores) along a nitrogen deposition gradient spanning the Coachella Valley in the western Sonoran Desert during the summer. Early germinating winter annual plant species (Schismus barbatus, Chaenactic fremontii, and Malacothrix glabrata) were collected as seedlings early in the growing season and again in late spring before senescence. Leaves from the dominant shrub, Larrea tridentata, were also collected from each site. Soil nitrogen from sites on the eastern edge of the valley had δ18O values between +30 and +41%, indicating an influence of atmospheric nitrate in plant available nitrate. There was an inverse correlation (r2=0.907) between soil δ18O and the δ15N of the C.fremontii leaf tissue, which suggests that in areas of high N deposition, some seedlings are
A mesh gradient technique for numerical optimization
NASA Technical Reports Server (NTRS)
Willis, E. A., Jr.
1973-01-01
A class of successive-improvement optimization methods in which directions of descent are defined in the state space along each trial trajectory are considered. The given problem is first decomposed into two discrete levels by imposing mesh points. Level 1 consists of running optimal subarcs between each successive pair of mesh points. For normal systems, these optimal two-point boundary value problems can be solved by following a routine prescription if the mesh spacing is sufficiently close. A spacing criterion is given. Under appropriate conditions, the criterion value depends only on the coordinates of the mesh points, and its gradient with respect to those coordinates may be defined by interpreting the adjoint variables as partial derivatives of the criterion value function. In level 2, the gradient data is used to generate improvement steps or search directions in the state space which satisfy the boundary values and constraints of the given problem.
Terrestrial carbon dynamics across gradients of urbanization
NASA Astrophysics Data System (ADS)
Hutyra, L.; Raciti, S.; Rao, P.; Yoon, B.; Dunn, A. L.; Phillips, N.
2010-12-01
Most of our global population and its CO2 emissions can be attributed to urban areas. The process of urbanization changes terrestrial carbon stocks and fluxes, which, in turn, impact ecosystem functions and atmospheric CO2 concentrations. Most research to date has focused on urban carbon emissions, or separately on urban vegetation carbon exchange. Thus, we are currently lacking the empirical data and evidence of mechanisms linking urban patterns and ecosystem function that are critical to advance urban sustainability efforts. Using the Seattle, WA and Boston, MA regions as contrasting case studies, we explore the relationships between terrestrial carbon exchange and land cover across urban to rural gradients. Micrometeorological, biometric, and remote sensing methods are combined to characterize the relationships between urban land covers and vegetation across gradients of urbanization.
The influence of ALN-Al gradient material gradient index on ballistic performance
NASA Astrophysics Data System (ADS)
Wang, Youcong; Liu, Qiwen; Li, Yao; Shen, Qiang
2013-03-01
Ballistic performance of the gradient material is superior to laminated material, and gradient materials have different gradient types. Using ls-dyna to simulate the ballistic performance of ALN-AL gradient target plates which contain three gradient index (b = 1, b = 0.5, b = 2). Through Hopkinson bar numerical simulation to the target plate materials, we obtained the reflection stress wave and transmission stress wave state of gradient material to get the best gradient index. The internal stress state of gradient material is simulated by amplification processing of the target plate model. When the gradient index b is equal to 1, the gradient target plate is best of all.
Electronic Bloch oscillation in bilayer graphene gradient superlattices
Cheng, Hemeng; Li, Changan; Song, Yun; Ma, Tianxing; Wang, Li-Gang; Lin, Hai-Qing
2014-08-18
We investigate the electronic Bloch oscillation in bilayer graphene gradient superlattices using transfer matrix method. By introducing two kinds of gradient potentials of square barriers along electrons propagation direction, we find that Bloch oscillations up to terahertz can occur. Wannier-Stark ladders, as the counterpart of Bloch oscillation, are obtained as a series of equidistant transmission peaks, and the localization of the electronic wave function is also signature of Bloch oscillation. Furthermore, the period of Bloch oscillation decreases linearly with increasing gradient of barrier potentials.
MAGIC SHIMMING: gradient shimming with magic angle sample spinning.
Nishiyama, Yusuke; Tsutsumi, Yu; Utsumi, Hiroaki
2012-03-01
A simple method to automatically shim NMR samples spinning at the magic angle is introduced based on the gradient shimming approach. The field inhomogeneity along the spinning axis is measured and automatically corrected. The combination of a normal magic angle spinning (MAS) probe, a conventional homospoil gradient, and a set of properly chosen standard room-temperature shims are used to perform the gradient shimming of samples spinning at the magic angle. The resulting (13)C NMR adamantane linewidth is less than 1 Hz (0.0078 ppm at 11.7 T). PMID:22370722
MAGIC SHIMMING: Gradient shimming with magic angle sample spinning
NASA Astrophysics Data System (ADS)
Nishiyama, Yusuke; Tsutsumi, Yu; Utsumi, Hiroaki
2012-03-01
A simple method to automatically shim NMR samples spinning at the magic angle is introduced based on the gradient shimming approach. The field inhomogeneity along the spinning axis is measured and automatically corrected. The combination of a normal magic angle spinning (MAS) probe, a conventional homospoil gradient, and a set of properly chosen standard room-temperature shims are used to perform the gradient shimming of samples spinning at the magic angle. The resulting 13C NMR adamantane linewidth is less than 1 Hz (0.0078 ppm at 11.7 T).
Magnetic Field Gradient Waveform Monitoring for Magnetic Resonance
NASA Astrophysics Data System (ADS)
Han, Hui
Linear magnetic field gradients have played a central role in Magnetic Resonance Imaging (MRI) since Fourier Transform MRI was proposed three decades ago. Their primary function is to encode spatial information into MR signals. Magnetic field gradients are also used to sensitize the image contrast to coherent and/or incoherent motion, to selectively enhance an MR signal, and to minimize image artifacts. Modern MR imaging techniques increasingly rely on the implementation of complex gradient waveforms for the manipulation of spin dynamics. However, gradient system infidelities caused by eddy currents, gradient amplifier imperfections and group delays, often result in image artifacts and other errors (e.g., phase and intensity errors). This remains a critical problem for a wide range of MRI techniques on modern commercial systems, but is of particular concern for advanced MRI pulse sequences. Measuring the real magnetic field gradients, i.e., characterizing eddy currents, is critical to addressing and remedying this problem. Gradient measurement and eddy current calibration are therefore a general topic of importance to the science of MRI. The Magnetic Field Gradient Monitor (MFGM) idea was proposed and developed specifically to meet these challenges. The MFGM method is the heart of this thesis. MFGM methods permit a variety of magnetic field gradient problems to be investigated and systematically remedied. Eddy current effects associated with MR compatible metallic pressure vessels were analyzed, simulated, measured and corrected. The appropriate correction of eddy currents may enable most MR/MRI applications with metallic pressure vessels. Quantitative imaging (1D/2D) with model pressure vessels was successfully achieved by combining image reconstruction with MFGM determined gradient waveform behaviour. Other categories of MR applications with metallic vessels, including diffusion measurement and spin echo SPI T2 mapping, cannot be realized solely by MFGM guided
Multilayer High-Gradient Insulators
Harris, J R; Anaya, R M; Blackfield, D; Chen, Y -; Falabella, S; Hawkins, S; Holmes, C; Paul, A C; Sampayan, S; Sanders, D M; Watson, J A; Caporaso, G J; Krogh, M
2006-11-15
High voltage systems operated in vacuum require insulating materials to maintain spacing between conductors held at different potentials, and may be used to maintain a nonconductive vacuum boundary. Traditional vacuum insulators generally consist of a single material, but insulating structures composed of alternating layers of dielectric and metal can also be built. These ''High-Gradient Insulators'' have been experimentally shown to withstand higher voltage gradients than comparable conventional insulators. As a result, they have application to a wide range of high-voltage vacuum systems where compact size is important. This paper describes ongoing research on these structures, as well as the current theoretical understanding driving this work.
Oxidation in a temperature gradient
Holcomb, Gordon R.; Covino, Bernard S., Jr.; Russell, James H.
2001-01-01
The effects of a temperature gradient and heat flux on point defect diffusion in protective oxide scales were examined. Irreversible thermodynamics were used to expand Fick's first law of diffusion to include a heat flux term--a Soret effect. Oxidation kinetics were developed for the oxidation of cobalt and for nickel doped with chromium. Research in progress is described to verify the effects of a heat flux by oxidizing pure cobalt in a temperature gradient above 800 C, and comparing the kinetics to isothermal oxidation. The tests are being carried out in the new high temperature gaseous corrosion and corrosion/erosion facility at the Albany Research Center.
Face recognition with histograms of fractional differential gradients
NASA Astrophysics Data System (ADS)
Yu, Lei; Ma, Yan; Cao, Qi
2014-05-01
It has proved that fractional differentiation can enhance the edge information and nonlinearly preserve textural detailed information in an image. This paper investigates its ability for face recognition and presents a local descriptor called histograms of fractional differential gradients (HFDG) to extract facial visual features. HFDG encodes a face image into gradient patterns using multiorientation fractional differential masks, from which histograms of gradient directions are computed as the face representation. Experimental results on Yale, face recognition technology (FERET), Carnegie Mellon University pose, illumination, and expression (CMU PIE), and A. Martinez and R. Benavente (AR) databases validate the feasibility of the proposed method and show that HFDG outperforms local binary patterns (LBP), histograms of oriented gradients (HOG), enhanced local directional patterns (ELDP), and Gabor feature-based methods.
Pedestrian Detection Using Gradient Local Binary Patterns
NASA Astrophysics Data System (ADS)
Jiang, Ning; Xu, Jiu; Goto, Satoshi
In recent years, local pattern based features have attracted increasing interest in object detection and recognition systems. Local Binary Pattern (LBP) feature is widely used in texture classification and face detection. But the original definition of LBP is not suitable for human detection. In this paper, we propose a novel feature named gradient local binary patterns (GLBP) for human detection. In this feature, original 256 local binary patterns are reduced to 56 patterns. These 56 patterns named uniform patterns are used for generating a 56-bin histogram. And gradient value of each pixel is set as the weight which is always same in LBP based features in histogram calculation to computing the values in 56 bins for histogram. Experiments are performed on INRIA dataset, which shows the proposal GLBP feature is discriminative than histogram of orientated gradient (HOG), Semantic Local Binary Patterns (S-LBP) and histogram of template (HOT). In our experiments, the window size is fixed. That means the performance can be improved by boosting methods. And the computation of GLBP feature is parallel, which make it easy for hardware acceleration. These factors make GLBP feature possible for real-time pedestrian detection.
Fast algorithm for integrating inconsistent gradient fields.
Rivera, M; Marroquin, J L; Servin, M; Rodriguez-Vera, R
1997-11-10
A discrete Fourier transform (DFT) based algorithm for solving a quadratic cost functional is proposed; this regularized functional allows one to obtain a consistent gradient field from an inconsistent one. The calculated consistent gradient may then be integrated by use of simple methods. The technique is presented in the context of the phase-unwrapping problem; however, it may be applied to other problems, such as shapes from shading (a robot-vision technique) when inconsistent gradient fields with irregular domains are obtained. The regularized functional introduced here has advantages over existing techniques; in particular, it is able to manage complex irregular domains and to interpolate over regions with invalid data without any smoothness assumptions over the rest of the lattice, so that the estimation error is reduced. Furthermore, there are no free parameters to adjust. The DFT is used to compute a preconditioner because there is highly efficient hardware to perform the calculations and also because it may be computed by optical means. PMID:18264380
Gradient Tempering Of Bearing Races
NASA Technical Reports Server (NTRS)
Parr, Richardson A.
1991-01-01
Gradient-tempering process increases fracture toughness and resistance to stress-corrosion cracking of ball-bearing races made of hard, strong steels and subject to high installation stresses and operation in corrosive media. Also used in other applications in which local toughening of high-strength/low-toughness materials required.
MATLAB toolbox for the regularized surface reconstruction from gradients
NASA Astrophysics Data System (ADS)
Harker, Matthew; O'Leary, Paul
2015-04-01
As Photometric Stereo is a means of measuring the gradient field of a surface, an essential step in the measurement of a surface structure is the reconstruction of a surface from its measured gradient field. Given that the surface normals are subject to noise, straightforward integration does not provide an adequate reconstruction of the surface. In fact, if the noise in the gradient can be considered to be Gaussian, the optimal reconstruction based on maximum likelihood principles is obtained by the method of least-squares. However, since the reconstruction of a surface from its gradient is an inverse problem, it is usually necessary to introduce some form of regularization of the solution. This paper describes and demonstrates the functionality of a library of MATLAB functions for the regularized reconstruction of a surface from its measured gradient field. The library of functions, entitled "Surface Reconstruction from Gradient Fields: grad2Surf Version 1.0" is available at the MATLAB file-exchange http://www.mathworks.com/matlabcentral/fileexchange/authors/321598 The toolbox is the culmination of a number of papers on the least-squares reconstruction of a surface from its measured gradient field, regularized solutions to the problem, and real-time implementations of the algorithms.1-4
A modified conjugate gradient solver for very large systems
NASA Astrophysics Data System (ADS)
Barkai, D.; Moriarty, K. J. M.; Rebbi, C.
1985-03-01
A modified conjugate gradient method is derived which requires only one pass through the coefficients and the temporary vectors. The method is applicable to problems which may be complex and non-symmetric. The method is implemented on a vector processor (the CDC CYBER 205) and applied to a high-energy physics lattice gauge theory problem, though the implementation methodology is quite general.
A new classical conjugate gradient coefficient with exact line search
NASA Astrophysics Data System (ADS)
Shapiee, Norrlaili; Rivaie, Mohd.; Mamat, Mustafa
2016-06-01
In this paper, we proposed a new classical conjugate gradient method. The global convergence is established using exact line search. Numerical results are presented based on number of iterations and CPU time. This numerical result shows that our method is performs better than classical CG method for a given standard test problems.
Corrosion in a temperature gradient
Covino, Bernard S., Jr.; Holcomb, Gordon R.; Cramer, Stephen D.; Bullard, Sophie J.; Ziomek-Moroz, Margaret; White, M.L.
2003-01-01
High temperature corrosion limits the operation of equipment used in the Power Generation Industry. Some of the more destructive corrosive attack occurs on the surfaces of heat exchangers, boilers, and turbines where the alloys are subjected to large temperature gradients that cause a high heat flux through the accumulated ash, the corrosion product, and the alloy. Most current and past corrosion research has, however, been conducted under isothermal conditions. Research on the thermal-gradient-affected corrosion of various metals and alloys is currently being studied at the Albany Research Center’s SECERF (Severe Environment Corrosion and Erosion Research Facility) laboratory. The purpose of this research is to verify theoretical models of heat flux effects on corrosion and to quantify the differences between isothermal and thermal gradient corrosion effects. The effect of a temperature gradient and the resulting heat flux on corrosion of alloys with protective oxide scales is being examined by studying point defect diffusion and corrosion rates. Fick’s first law of diffusion was expanded, using irreversible thermodynamics, to include a heat flux term – a Soret effect. Oxide growth rates are being measured for the high temperature corrosion of cobalt at a metal surface temperature of 900ºC. Corrosion rates are also being determined for the high temperature corrosion of carbon steel boiler tubes in a simulated waste combustion environment consisting of O2, CO2, N2, and water vapor. Tests are being conducted both isothermally and in the presence of a temperature gradient to verify the effects of a heat flux and to compare to isothermal oxidation.
A Gradient Descent Approximation for Graph Cuts
NASA Astrophysics Data System (ADS)
Yildiz, Alparslan; Akgul, Yusuf Sinan
Graph cuts have become very popular in many areas of computer vision including segmentation, energy minimization, and 3D reconstruction. Their ability to find optimal results efficiently and the convenience of usage are some of the factors of this popularity. However, there are a few issues with graph cuts, such as inherent sequential nature of popular algorithms and the memory bloat in large scale problems. In this paper, we introduce a novel method for the approximation of the graph cut optimization by posing the problem as a gradient descent formulation. The advantages of our method is the ability to work efficiently on large problems and the possibility of convenient implementation on parallel architectures such as inexpensive Graphics Processing Units (GPUs). We have implemented the proposed method on the Nvidia 8800GTS GPU. The classical segmentation experiments on static images and video data showed the effectiveness of our method.
Spin Gradient Demagnetization Cooling of Ultracold Atoms
Medley, Patrick; Weld, David M.; Miyake, Hirokazu; Pritchard, David E.; Ketterle, Wolfgang
2011-05-13
We demonstrate a new cooling method in which a time-varying magnetic field gradient is applied to an ultracold spin mixture. This enables preparation of isolated spin distributions at positive and negative effective spin temperatures of {+-}50 pK. The spin system can also be used to cool other degrees of freedom, and we have used this coupling to cool an apparently equilibrated Mott insulator of rubidium atoms to 350 pK. These are the lowest temperatures ever measured in any system. The entropy of the spin mixture is in the regime where magnetic ordering is expected.
3D Electromagnetic inversion using conjugate gradients
Newman, G.A.; Alumbaugh, D.L.
1997-06-01
In large scale 3D EM inverse problems it may not be possible to directly invert a full least-squares system matrix involving model sensitivity elements. Thus iterative methods must be employed. For the inverse problem, we favor either a linear or non-linear (NL) CG scheme, depending on the application. In a NL CG scheme, the gradient of the objective function is required at each relaxation step along with a univariate line search needed to determine the optimum model update. Solution examples based on both approaches will be presented.
A Compact High Gradient Pulsed Magnetic Quadpole
Shuman, D.; Faltens, A.; Kajiyama, Y.; Kireeff-Covo, M.; Seidl, P.
2005-07-05
A design for a high gradient, low inductance pulsed quadrupole magnet is presented. The magnet is a circular current dominated design with a circular iron return yoke. Conductor angles are determined by a method of direct multipole elimination which theoretically eliminates the first four higher order multipole field components. Coils are fabricated from solid round film-insulated conductor, wound as a single layer ''non-spiral bedstead'' coil having a diagonal leadout entirely within one upturned end. The coils are wound and stretched straight in a special winder, then bent in simple fixtures to form the upturned ends.
Separation of colloidal two dimensional materials by density gradient ultracentrifugation
Kuang, Yun; Song, Sha; Huang, Jinyang; Sun, Xiaoming
2015-04-15
Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials. Isopycnic separation was applied on thickness-dependent separation of graphene nanosheets. And rate-zonal separation, as a more versatile separation method, demonstrated its capability in sorting nanosheets of chemically modified single layered graphene, layered double hydroxide, and even metallic Ag. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing “reaction zones” during sedimentation of the colloids. - Graphical abstract: Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials according to their size of thickness difference. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing “reaction zones” during sedimentation of the colloids. - Highlights: • Density gradient ultracentrifugation was applied on size separation of 2D material. • Isopycnic separation was applied on separation of low density materials. • Rate-zonal separation was applied on separation of large density materials. • Size
A compact microfluidic gradient generator using passive pumping
Gao, Yandong; Sun, Jiashu; Lin, Wan-Hsin; Webb, Donna; Li, Deyu
2012-01-01
Creating and maintaining a precise molecular gradient which is stable in space and time are essential to studies of chemotaxis. This paper describes a simple, compact, and user-friendly microfluidic device using a passive pumping method to drive the liquid flow to generate a stable concentration gradient. A fluidic circuit is designed to offset the effects of the pressure imbalance between the two inlets. After loading approximately the same amount of culture media containing different concentrations of a certain chemotactic agent into the two inlet reservoirs, a linear concentration gradient will be automatically and quickly established at the downstream. Our device takes advantage of passive pumping and is compact enough to fit into a Petri dish, which is an attractive feature to biologists. Furthermore, this microfluidic gradient generator offers a platform for a facile way of long-term imaging and analysis using high resolution microscopy. PMID:22737106
Cancer-stroma evolutionary dynamics in stress-gradient microenvironment
NASA Astrophysics Data System (ADS)
Wu, Amy; Lambert, Guillaume; Austin, Robert; Sturm, James; Khin, Zayar; Silva, Ariosto
2012-02-01
In order to study the evolution of drug resistance in cancer, it is important to mimic the tumor microenvironment, in which cells are exposed to not uniform concentrations but rather gradients of drugs, nutrients, and other factors Compared to traditional in-vitro methods, microfluidic structure enables better control of the temporal and spatial profile of gradients. Here we demonstrate a microfluidic Doxorubicin gradient environment with heterogeneous landscape, and culture multiple myeloma (8226-S, expressing RFP) and bone marrow stroma (HS-5, expressing GFP) cell lines together. The myeloma cells are not directly motile, but they are able to migrate via the adhesion to motile stroma cells. The indirect motility mechanism of the myeloma cells is crucial for the adaptation to stress environment. Finally, we will report the co-culture dynamics under the stress of doxorubicin gradients, observing for cellular migrations and growth
Uniform Spinning Sampling Gradient Electron Paramagnetic Resonance Imaging
Johnson, David H.; Ahmad, Rizwan; Liu, Yangping; Chen, Zhiyu; Samouilov, Alexandre; Zweier, Jay L.
2014-01-01
Purpose To improve the quality and speed of electron paramagnetic resonance imaging (EPRI) acquisition by combining a uniform sampling distribution with spinning gradient acquisition. Theory and Methods A uniform sampling distribution was derived for spinning gradient EPRI acquisition (Uniform Spinning Sampling, USS) and compared to the existing (Equilinear Spinning Sampling, ESS) acquisition strategy. Novel corrections were introduced to reduce artifacts in experimental data. Results Simulations demonstrated that USS puts an equal number of projections near each axis whereas ESS puts excessive projections at one axis, wasting acquisition time. Artifact corrections added to the magnetic gradient waveforms reduced noise and correlation between projections. USS images had higher SNR (85.9±0.8 vs. 56.2±0.8) and lower mean-squared error than ESS images. The quality of the USS images did not vary with the magnetic gradient orientation, in contrast to ESS images. The quality of rat heart images was improved using USS compared to that with ESS or traditional fast-scan acquisitions. Conclusion A novel EPRI acquisition which combines spinning gradient acquisition with a uniform sampling distribution was developed. This USS spinning gradient acquisition offers superior SNR and reduced artifacts compared to prior methods enabling potential improvements in speed and quality of EPR imaging in biological applications. PMID:23475830
Piraino, Francesco; Camci-Unal, Gulden; Hancock, Matthew J.; Rasponi, Marco
2012-01-01
This technical note describes a new bench-top method for producing anisotropic hydrogels composed of gradient layers of soluble factors, particles, polymer concentrations or material properties. Each gradient layer was produced by a previous gradient method in which a droplet of one precursor solution was added to a thin layer of a second solution. The ensuing rapid capillary flow along the open channel generated a gradient precursor solution, which was then crosslinked to form a gradient gel. Repeating these steps allowed a layered gel to be iteratively constructed with as many gradient layers as desired. This technique renders the synthesis of multi-layered gradient gels accessible to virtually any researcher and should help simplify the production of more biologically relevant cellular microenvironments. PMID:22167009
Sensitivity of the resonant ultrasound spectroscopy to weak gradients of elastic properties.
Seiner, Hanuš; Sedlák, Petr; Bodnárová, Lucie; Kruisová, Alena; Landa, Michal; de Pablos, Angel; Belmonte, Manuel
2012-05-01
The applicability of resonant ultrasound spectroscopy on materials with weak spatial gradients in elastic coefficients and density is analyzed. It is shown that such gradients do not affect measurably the resonant spectrum but have a significant impact on the modal shapes. A numerical inverse procedure is proposed to explore the possibility of reconstructing the gradients from experimentally obtained modal shapes. This procedure is tested on synthetic data and applied to determine the gradient of the shear modulus in a continuously graded silicon nitride ceramic material. The results are in a good agreement with the gradient calculated for the examined material theoretically as well as with the results of other experimental methods. PMID:22559353
High gradient directional solidification furnace
NASA Technical Reports Server (NTRS)
Aldrich, B. R.; Whitt, W. D. (Inventor)
1985-01-01
A high gradient directional solidification furnace is disclosed which includes eight thermal zones throughout the length of the furnace. In the hot end of the furnace, furnace elements provide desired temperatures. These elements include Nichrome wire received in a grooved tube which is encapsulated y an outer alumina core. A booster heater is provided in the hot end of the furnace which includes toroidal tungsten/rhenium wire which has a capacity to put heat quickly into the furnace. An adiabatic zone is provided by an insulation barrier to separate the hot end of the furnace from the cold end. The old end of the furnace is defined by additional heating elements. A heat transfer plate provides a means by which heat may be extracted from the furnace and conducted away through liquid cooled jackets. By varying the input of heat via the booster heater and output of heat via the heat transfer plate, a desired thermal gradient profile may be provided.
Carbon and Oxygen Galactic Gradients
NASA Astrophysics Data System (ADS)
Carigi, L.; Peimbert, M.; Esteban, C.; García-Rojas, J.
2006-06-01
A chemical evolution model of the Galaxy has been computed to reproduce the O/H gradients from Galactic HII regions. This model solves the C enrichment problem because it fits the C/H and C/O gradients and the C and O histories of the solar vicinity. The model is based on C yields dependent on metallicity (Z) owing to stellar winds. The C yields of massive stars (MS) increase with Z and those of low and intermediate mass stars (LIMS) decrease with Z. An important result is that the fraction of carbon in the interstellar medium (ISM) due to MS and LIMS is strongly dependent on Z of the ISM, therefore, that fraction depends on time and on the Galactocentric distance. At present and in the solar vicinity about half of the C in the interstellar medium has been produced by MS and half by LIMS.
A gyrokinetic continuum code based on the numerical Lie transform (NLT) method
NASA Astrophysics Data System (ADS)
Ye, Lei; Xu, Yingfeng; Xiao, Xiaotao; Dai, Zongliang; Wang, Shaojie
2016-07-01
In this work, we report a novel gyrokinetic simulation method named numerical Lie transform (NLT), which depends on a new physical model derived from the I-transform theory. In this model, the perturbed motion of a particle is decoupled from the unperturbed motion. Due to this property, the unperturbed orbit can be computed in advance and saved as numerical tables for real-time computation. A 4D tensor B-spline interpolation module is developed and applied with the semi-Lagrangian scheme to avoid operator splitting. The NLT code is verified by the Rosenbluth-Hinton test and the linear ITG Cyclone test.
Growth and deformation structure of gradient and layer-gradient Ti-Al-Si-Cu-N coatings
Ovchinnikov, Stanislav V. Pinzhin, Yurii P.; Korotaev, Alexandr D.
2014-11-14
The features of the growth structure and modification of gradient and layer-gradient Ti-Al-Si-Cu-N coatings in the areas of deformation and fracture during indentation and scratch testing were investigated using transmission and scanning electron microscopy methods. The influence of the concentration of alloying elements and displacement potential in the substrate on the secondary sputtering, phase composition and the level of combined torsion and bending of the crystal lattice of doped TiN were determined. It was found out that the size of the crystals in deformation location bands grows with deformation of gradient nanocrystal coatings. The article shows that layer-gradient coatings combining submicrocrystalline and nanocrystalline structures have the increased plasticity and fracture toughness due to enhanced density of interfaces and formation of the soft metal phase (Cu) in the surface layer.
Snyder, James W; Hohenstein, Edward G; Luehr, Nathan; Martínez, Todd J
2015-10-21
We recently presented an algorithm for state-averaged complete active space self-consistent field (SA-CASSCF) orbital optimization that capitalizes on sparsity in the atomic orbital basis set to reduce the scaling of computational effort with respect to molecular size. Here, we extend those algorithms to calculate the analytic gradient and nonadiabatic coupling vectors for SA-CASSCF. Combining the low computational scaling with acceleration from graphical processing units allows us to perform SA-CASSCF geometry optimizations for molecules with more than 1000 atoms. The new approach will make minimal energy conical intersection searches and nonadiabatic dynamics routine for molecular systems with O(10(2)) atoms. PMID:26493897
Snyder, James W.; Hohenstein, Edward G.; Luehr, Nathan; Martínez, Todd J.
2015-10-21
We recently presented an algorithm for state-averaged complete active space self-consistent field (SA-CASSCF) orbital optimization that capitalizes on sparsity in the atomic orbital basis set to reduce the scaling of computational effort with respect to molecular size. Here, we extend those algorithms to calculate the analytic gradient and nonadiabatic coupling vectors for SA-CASSCF. Combining the low computational scaling with acceleration from graphical processing units allows us to perform SA-CASSCF geometry optimizations for molecules with more than 1000 atoms. The new approach will make minimal energy conical intersection searches and nonadiabatic dynamics routine for molecular systems with O(10{sup 2}) atoms.
Superdirective and gradient sensor arrays
NASA Astrophysics Data System (ADS)
Merklinger, Harold M.
2003-10-01
During the late 1960s and the 1970s, underwater acoustic investigators examined superdirective and gradient sensor systems in order to enhance submarine detection capabilities for surface ships and maritime aircraft. Simple gradient processing had already been used in both in-air acoustic systems (cardioid and super-cardioid microphones) as well as radio and radar applications. Superdirective techniques were known [R. L. Pritchard, J. Acoust. Soc. Am. 25, 879 (1953)] and sometimes exploited in radar systems. It was quickly demonstrated that simple gradient sensors and modest degrees of superdirective array processing were possible, although self-noise and the ability to calibrate hydrophones limited the processing gains achievable. Circular superdirective arrays were used extensively by the Defence Research Establishment Atlantic for noise directionality measurements in the frequency range 4 Hz to about 1 kHz and considered for naval ASW applications until the superiority of oil-filled conventional arrays became apparent. Nevertheless, the significant theoretical and practical development of spatial harmonic beamforming and direction finding was completed. Although much of this work was not considered classified, neither was it widely published. This presentation will review the concepts developed and progress made. Beamforming, noise mitigation and calibration issues are covered.
Density-Gradient Determination of Osmotic Potential in Plant Cells
ERIC Educational Resources Information Center
Nabors, Murray W.
1973-01-01
Describes a method for measuring osmotic potential which is suitable for high school and college biology classes. This method introduces students to the hard-to-visualize technique of using density gradients to separate cells or cell constituents of differing densities. (JR)
Research on RTP aeromagnetic gradient data and its applicability in different latitudes
NASA Astrophysics Data System (ADS)
Li, Lin; Guo, Hua; Wang, Ping; Jia, Wei-Jie
2016-03-01
Aeromagnetic gradient data needs to be reduced to the pole so that it can be better applied to geological interpretation through theoretical derivation. In this paper, we conduct research on the morphological characteristics of the total and horizontal gradient modules before and after reduction to the pole and design models at different latitudes, with consistent and inconsistent magnetic field direction and geological body magnetization direction. We discuss how to use the total gradient module and horizontal gradient module in geological interpretation. The reduced-to-the-pole (RTP) method is required for the horizontal gradient module method but not for the total gradient module. Finally, the conclusions derived from the theoretical models are verified through analysis of real data. The position determination of a geological body using the total gradient method, gradient data, or total-field data works better without RTP, ensuring data primitive authenticity. However, the horizontal gradient module should be reduced to the pole to determine the boundary of the geological body. Finally, the theoretical model is verified by actual data analysis. Both the total and horizontal gradient methods can be applied to geological interpretation.
NASA Astrophysics Data System (ADS)
Raza, Nauman; Sial, Sultan; Siddiqi, Shahid S.
2009-04-01
The Sobolev gradient technique has been discussed previously in this journal as an efficient method for finding energy minima of certain Ginzburg-Landau type functionals [S. Sial, J. Neuberger, T. Lookman, A. Saxena, Energy minimization using Sobolev gradients: application to phase separation and ordering, J. Comput. Phys. 189 (2003) 88-97]. In this article a Sobolev gradient method for the related time evolution is discussed.
Continuous stationary phase gradients for planar chromatographic media.
Kannan, Balamurali; Marin, Michael A; Shrestha, Kushal; Higgins, Daniel A; Collinson, Maryanne M
2011-12-30
A simple, elegant method for the formation of a continuous stationary phase gradient for use in chromatographic separations is described. Its applicability to separation science is demonstrated using thin-layer chromatography as a test case. Gradient stationary phases were formed on activated High Performance Thin-Layer Chromatography (HP-TLC) plates using a newly developed methodology termed "controlled rate infusion". Specifically, the SiOH groups on the activated HP-TLC plates were reacted with 3-aminopropyltriethoxysilane (APTEOS) in a time dependent fashion by using a programmable syringe pump to control the rate of APTEOS infusion into the deposition reservoir. The shape (profile) of the gradient was controlled by the rate of infusion and imaged by taking advantage of the concentration-dependent color formation reaction between amine groups and ninhydrin. The advantages of such gradients in optimizing the retention and separation of various components in different mixtures were illustrated using mixtures of (1) four weak acids and bases and (2) three widely used over-the-counter drugs. The separation of the individual components on the gradient stationary phase was clearly improved relative to those on either traditional normal-phase TLC plates or uniformly amine-modified TLC plates. Precise control over component retention and separation was also demonstrated by strategically modifying the steepness of the gradient. PMID:22119610
An education gradient in health, a health gradient in education, or a confounded gradient in both?
Lynch, Jamie L; von Hippel, Paul T
2016-04-01
There is a positive gradient associating educational attainment with health, yet the explanation for this gradient is not clear. Does higher education improve health (causation)? Do the healthy become highly educated (selection)? Or do good health and high educational attainment both result from advantages established early in the life course (confounding)? This study evaluates these competing explanations by tracking changes in educational attainment and Self-rated Health (SRH) from age 15 to age 31 in the National Longitudinal Study of Youth, 1997 cohort. Ordinal logistic regression confirms that high-SRH adolescents are more likely to become highly educated. This is partly because adolescent SRH is associated with early advantages including adolescents' academic performance, college plans, and family background (confounding); however, net of these confounders adolescent SRH still predicts adult educational attainment (selection). Fixed-effects longitudinal regression shows that educational attainment has little causal effect on SRH at age 31. Completion of a high school diploma or associate's degree has no effect on SRH, while completion of a bachelor's or graduate degree have effects that, though significant, are quite small (less than 0.1 points on a 5-point scale). While it is possible that educational attainment would have greater effect on health at older ages, at age 31 what we see is a health gradient in education, shaped primarily by selection and confounding rather than by a causal effect of education on health. PMID:26943010
Single-Image Vignetting Correction from Gradient Distribution Symmetries
Zheng, Yuanjie; Lin, Stephen; Kang, Sing Bing; Xiao, Rui; Gee, James C.; Kambhamettu, Chandra
2014-01-01
We present novel techniques for single-image vignetting correction based on symmetries of two forms of image gradients: semicircular tangential gradients (SCTG) and radial gradients (RG). For a given image pixel, an SCTG is an image gradient along the tangential direction of a circle centered at the presumed optical center and passing through the pixel. An RG is an image gradient along the radial direction with respect to the optical center. We observe that the symmetry properties of SCTG and RG distributions are closely related to the vignetting in the image. Based on these symmetry properties we develop an automatic optical center estimation algorithm by minimizing the asymmetry of SCTG distributions, and also present two methods for vignetting estimation based on minimizing the asymmetry of RG distributions. In comparison to prior approaches to single-image vignetting correction, our methods do not rely on image segmentation and they produce more accurate results. Experiments show our techniques to work well for a wide range of images while achieving a speed-up of 3-5 times compared to a state-of-the-art method. PMID:23599060
Single-image vignetting correction from gradient distribution symmetries.
Zheng, Yuanjie; Lin, Stephen; Kang, Sing Bing; Xiao, Rui; Gee, James C; Kambhamettu, Chandra
2013-06-01
We present novel techniques for single-image vignetting correction based on symmetries of two forms of image gradients: semicircular tangential gradients (SCTG) and radial gradients (RG). For a given image pixel, an SCTG is an image gradient along the tangential direction of a circle centered at the presumed optical center and passing through the pixel. An RG is an image gradient along the radial direction with respect to the optical center. We observe that the symmetry properties of SCTG and RG distributions are closely related to the vignetting in the image. Based on these symmetry properties, we develop an automatic optical center estimation algorithm by minimizing the asymmetry of SCTG distributions, and also present two methods for vignetting estimation based on minimizing the asymmetry of RG distributions. In comparison to prior approaches to single-image vignetting correction, our methods do not rely on image segmentation and they produce more accurate results. Experiments show our techniques to work well for a wide range of images while achieving a speed-up of 3-5 times compared to a state-of-the-art method. PMID:23599060
Principal patterns of fractional-order differential gradients for face recognition
NASA Astrophysics Data System (ADS)
Yu, Lei; Cao, Qi; Zhao, Anping
2015-01-01
We investigate the ability of fractional-order differentiation (FD) for facial texture representation and present a local descriptor, called the principal patterns of fractional-order differential gradients (PPFDGs), for face recognition. In PPFDG, multiple FD gradient patterns of a face image are obtained utilizing multiorientation FD masks. As a result, each pixel of the face image can be represented as a high-dimensional gradient vector. Then, by employing principal component analysis to the gradient vectors over the centered neighborhood of each pixel, we capture the principal gradient patterns and meanwhile compute the corresponding orientation patterns from which oriented gradient magnitudes are computed. Histogram features are finally extracted from these oriented gradient magnitude patterns as the face representation using local binary patterns. Experimental results on face recognition technology, A.M. Martinez and R. Benavente, Extended Yale B, and labeled faces in the wild face datasets validate the effectiveness of the proposed method.
Accurate pressure gradient calculations in hydrostatic atmospheric models
NASA Technical Reports Server (NTRS)
Carroll, John J.; Mendez-Nunez, Luis R.; Tanrikulu, Saffet
1987-01-01
A method for the accurate calculation of the horizontal pressure gradient acceleration in hydrostatic atmospheric models is presented which is especially useful in situations where the isothermal surfaces are not parallel to the vertical coordinate surfaces. The present method is shown to be exact if the potential temperature lapse rate is constant between the vertical pressure integration limits. The technique is applied to both the integration of the hydrostatic equation and the computation of the slope correction term in the horizontal pressure gradient. A fixed vertical grid and a dynamic grid defined by the significant levels in the vertical temperature distribution are employed.
Peak-Seeking Control Using Gradient and Hessian Estimates
NASA Technical Reports Server (NTRS)
Ryan, John J.; Speyer, Jason L.
2010-01-01
A peak-seeking control method is presented which utilizes a linear time-varying Kalman filter. Performance function coordinate and magnitude measurements are used by the Kalman filter to estimate the gradient and Hessian of the performance function. The gradient and Hessian are used to command the system toward a local extremum. The method is naturally applied to multiple-input multiple-output systems. Applications of this technique to a single-input single-output example and a two-input one-output example are presented.
Acoustic characteristics of the medium with gradient change of impedance
NASA Astrophysics Data System (ADS)
Hu, Bo; Yang, Desen; Sun, Yu; Shi, Jie; Shi, Shengguo; Zhang, Haoyang
2015-10-01
The medium with gradient change of acoustic impedance is a new acoustic structure which developed from multiple layer structures. In this paper, the inclusion is introduced and a new set of equations is developed. It can obtain better acoustic properties based on the medium with gradient change of acoustic impedance. Theoretical formulation has been systematically addressed which demonstrates how the idea of utilizing this method. The sound reflection and absorption coefficients were obtained. At last, the validity and the correctness of this method are assessed by simulations. The results show that appropriate design of parameters of the medium can improve underwater acoustic properties.
Temperature Gradient in Hall Thrusters
D. Staack; Y. Raitses; N.J. Fisch
2003-11-24
Plasma potentials and electron temperatures were deduced from emissive and cold floating probe measurements in a 2 kW Hall thruster, operated in the discharge voltage range of 200-400 V. An almost linear dependence of the electron temperature on the plasma potential was observed in the acceleration region of the thruster both inside and outside the thruster. This result calls into question whether secondary electron emission from the ceramic channel walls plays a significant role in electron energy balance. The proportionality factor between the axial electron temperature gradient and the electric field is significantly smaller than might be expected by models employing Ohmic heating of electrons.
Generalized Gradient Approximation Made Simple
Perdew, J.P.; Burke, K.; Ernzerhof, M.
1996-10-01
Generalized gradient approximations (GGA{close_quote}s) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other than those in LSD) are fundamental constants. Only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential. {copyright} {ital 1996 The American Physical Society.}
Electron Temperature Gradient Mode Transport
Horton, W.; Kim, J.-H.; Hoang, G. T.; Park, H.; Kaye, S. M.; LeBlanc, B. P.
2008-05-14
Anomalous electron thermal losses plays a central role in the history of the controlled fusion program being the first and most persistent form of anomalous transport across all toroidal magnetic confinement devices. In the past decade the fusion program has made analysis and simulations of electron transport a high priority with the result of a clearer understanding of the phenomenon, yet still incomplete. Electron thermal transport driven by the electron temperature gradient is examined in detail from theory, simulation and power balance studies in tokamaks with strong auxiliary heating.
Thermally tailored gradient topography surface on elastomeric thin films.
Roy, Sudeshna; Bhandaru, Nandini; Das, Ritopa; Harikrishnan, G; Mukherjee, Rabibrata
2014-05-14
We report a simple method for creating a nanopatterned surface with continuous variation in feature height on an elastomeric thin film. The technique is based on imprinting the surface of a film of thermo-curable elastomer (Sylgard 184), which has continuous variation in cross-linking density introduced by means of differential heating. This results in variation of viscoelasticity across the length of the surface and the film exhibits differential partial relaxation after imprinting with a flexible stamp and subjecting it to an externally applied stress for a transient duration. An intrinsic perfect negative replica of the stamp pattern is initially created over the entire film surface as long as the external force remains active. After the external force is withdrawn, there is partial relaxation of the applied stresses, which is manifested as reduction in amplitude of the imprinted features. Due to the spatial viscoelasticity gradient, the extent of stress relaxation induced feature height reduction varies across the length of the film (L), resulting in a surface with a gradient topography with progressively varying feature heights (hF). The steepness of the gradient can be controlled by varying the temperature gradient as well as the duration of precuring of the film prior to imprinting. The method has also been utilized for fabricating wettability gradient surfaces using a high aspect ratio biomimetic stamp. The use of a flexible stamp allows the technique to be extended for creating a gradient topography on nonplanar surfaces as well. We also show that the gradient surfaces with regular structures can be used in combinatorial studies related to pattern directed dewetting. PMID:24697617
Why molecules move along a temperature gradient
Duhr, Stefan; Braun, Dieter
2006-01-01
Molecules drift along temperature gradients, an effect called thermophoresis, the Soret effect, or thermodiffusion. In liquids, its theoretical foundation is the subject of a long-standing debate. By using an all-optical microfluidic fluorescence method, we present experimental results for DNA and polystyrene beads over a large range of particle sizes, salt concentrations, and temperatures. The data support a unifying theory based on solvation entropy. Stated in simple terms, the Soret coefficient is given by the negative solvation entropy, divided by kT. The theory predicts the thermodiffusion of polystyrene beads and DNA without any free parameters. We assume a local thermodynamic equilibrium of the solvent molecules around the molecule. This assumption is fulfilled for moderate temperature gradients below a fluctuation criterion. For both DNA and polystyrene beads, thermophoretic motion changes sign at lower temperatures. This thermophilicity toward lower temperatures is attributed to an increasing positive entropy of hydration, whereas the generally dominating thermophobicity is explained by the negative entropy of ionic shielding. The understanding of thermodiffusion sets the stage for detailed probing of solvation properties of colloids and biomolecules. For example, we successfully determine the effective charge of DNA and beads over a size range that is not accessible with electrophoresis. PMID:17164337
Asymmetric Uncertainty Expression for High Gradient Aerodynamics
NASA Technical Reports Server (NTRS)
Pinier, Jeremy T
2012-01-01
When the physics of the flow around an aircraft changes very abruptly either in time or space (e.g., flow separation/reattachment, boundary layer transition, unsteadiness, shocks, etc), the measurements that are performed in a simulated environment like a wind tunnel test or a computational simulation will most likely incorrectly predict the exact location of where (or when) the change in physics happens. There are many reasons for this, includ- ing the error introduced by simulating a real system at a smaller scale and at non-ideal conditions, or the error due to turbulence models in a computational simulation. The un- certainty analysis principles that have been developed and are being implemented today do not fully account for uncertainty in the knowledge of the location of abrupt physics changes or sharp gradients, leading to a potentially underestimated uncertainty in those areas. To address this problem, a new asymmetric aerodynamic uncertainty expression containing an extra term to account for a phase-uncertainty, the magnitude of which is emphasized in the high-gradient aerodynamic regions is proposed in this paper. Additionally, based on previous work, a method for dispersing aerodynamic data within asymmetric uncer- tainty bounds in a more realistic way has been developed for use within Monte Carlo-type analyses.
Transverse agarose pore gradient gel electrophoresis of DNA.
Fawcett, J S; Wheeler, D; Chrambach, A
1992-06-01
Transverse agarose pore gradient gels were prepared on GelBond in the concentration range of nominally 0.2-1.5% SeaKem GTG agarose, using density stabilization by glycerol and incorporation of a dye to define the gel concentration at each point on the pore gradient gel. The distribution of the dye was evaluated by photography, video-acquisition and digitization of the gradient mixture and by densitometry of the gel. The gel was applied to the electrophoresis of a 1-kb standard ladder of DNA fragments, using standard submarine apparatus. The method extends to agarose gel electrophoresis the benefits of semi-automated analysis of 'Ferguson curves' described in application to polyacrylamide gel by Wheeler et al. (J. Biochem. Biophys. Methods 24, 171-180). PMID:1640052
Convective flows in enclosures with vertical temperature or concentration gradients
NASA Technical Reports Server (NTRS)
Wang, L. W.; Chai, A. T.; Sun, D. J.
1988-01-01
The transport process in the fluid phase during the growth of a crystal has a profound influence on the structure and quality of the solid phase. In vertical growth techniques the fluid phase is often subjected to vertical temperature and concentration gradients. The main objective is to obtain more experimental data on convective flows in enclosures with vertical temperature or concentration gradients. Among actual crystal systems the parameters vary widely. The parametric ranges studied for mass transfer are mainly dictated by the electrochemical system employed to impose concentration gradients. Temperature or concentration difference are maintained between two horizontal end walls. The other walls are kept insulated. Experimental measurements and observations were made of the heat transfer or mass transfer, flow patterns, and the mean and fluctuating temperature distribution. The method used to visualize the flow pattern in the thermal cases is an electrochemical pH-indicator method. Laser shadowgraphs are employed to visualize flow patterns in the solutal cases.
Combinatorial MAPLE gradient thin film assemblies signalling to human osteoblasts.
Axente, Emanuel; Sima, Felix; Elena Sima, Livia; Erginer, Merve; Eroglu, Mehmet S; Serban, Natalia; Ristoscu, Carmen; Petrescu, Stefana M; Toksoy Oner, Ebru; Mihailescu, Ion N
2014-09-01
There is increased interest in smart bioactive materials to control tissue regeneration for the engineering of cell instructive scaffolds. We introduced combinatorial matrix-assisted pulsed laser evaporation (C-MAPLE) as a new method for the fabrication of organic thin films with a compositional gradient. Synchronized C-MAPLE of levan and oxidized levan was employed to assemble a two-compound biopolymer film structure. The gradient of the film composition was validated by fluorescence microscopy. In this study, we investigated the cell response induced by the compositional gradient using imaging of early osteoblast attachment and analysis of signalling phosphoprotein expression. Cells attached along the gradient in direct proportion to oxidized levan concentration. During this process distinct areas of the binary gradient have been shown to modulate the osteoblasts' extracellular signal-regulated kinase signalling with different propensity. The proposed fabrication method results in the preparation of a new bioactive material, which could control the cell signalling response. This approach can be extended to screen new bioactive interfaces for tissue regeneration. PMID:24867882
Support vector classifiers via gradient systems with discontinuous righthand sides.
Ferreira, Leonardo V; Kaszkurewicz, Eugenius; Bhaya, Amit
2006-12-01
Gradient dynamical systems with discontinuous righthand sides are designed using Persidskii-type nonsmooth Lyapunov functions to work as support vector machines (SVMs) for the discrimination of nonseparable classes. The gradient systems are obtained from an exact penalty method applied to the constrained quadratic optimization problems, which are formulations of two well known SVMs. Global convergence of the trajectories of the gradient dynamical systems to the solution of the corresponding constrained problems is shown to be independent of the penalty parameters and of the parameters of the SVMs. The proposed gradient systems can be implemented as simple analog circuits as well as using standard software for integration of ODEs, and in order to use efficient integration methods with adaptive stepsize selection, the discontinuous terms are smoothed around a neighborhood of the discontinuity surface by means of the boundary layer technique. The scalability of the proposed gradient systems is also shown by means of an implementation using parallel computers, resulting in smaller processing times when compared with traditional SVM packages. PMID:17011165
NASA Astrophysics Data System (ADS)
Kawano, H.; Pilipenko, V.; Mann, I. R.; Milling, D. K.; Saita, S.; Kitamura, K.; Yumoto, K.; Yoshikawa, A.
2014-12-01
The Improved Hodograph Method (IHM below) and the Amplitude-Phase Gradient Method (APGM below) are both applied to data from two ground magnetometers latitudinally separated by ~100km and yield the field-line-resonance (FLR) frequency and the ionospheric resonance width as functions of the latitude; from the FLR frequency we can estimate the magnetospheric plasma mass density, and from the resonance width we can estimate the damping rate of FLR, which is related to how much of the FLR-generated ULF waves are absorbed by the ionosphere. The both methods apply FFT to the two magnetometers' data, and calculate the amplitude ratio and the cross phase from the two stations' data as functions of the frequency. From there the two methods use different approaches: IHM fits a curve to the obtained ratio (as a complex number including both the amplitude ratio and the cross phase) on the complex plane to separate out the non-FLR signal in the data, while APGM assumes that the obtained amplitude ratio and cross phase include the FLR signal only and obtains the FLR frequency and the resonance width in an algebraic manner. In this paper we apply the two methods to simultaneously observed data from ground station pairs of WAD (CGM latitude and longitude: 61.3 and 318.3) - WEYB (58.6, 320.9), LGRR (61.8, 332.4) - PINA (60.0, 331.8), and PINA - THRF (57.8, 331.5), where WAD belongs to MAGDAS/CPMN while the other four belong to CARISMA. We show that IHM can properly estimate the latitudinal profile of the resonance width (which is the improved point of IHM over the original Hodograph Method) by comparing the results of applying IHM to the LGRR-PINA and PINA-THRF pairs, located along the same meridian. We also compare the IHM and APGM results to support the above-stated advantage of IHM over APGM. In addition, comparing the results of applying IHM and APGM to WAD-WEYB and LGRR-PINA-THRF, having similar latitudes but different longitudes, we discuss the longitude dependence of the FLR
Strength gradient enhances fatigue resistance of steels.
Ma, Zhiwei; Liu, Jiabin; Wang, Gang; Wang, Hongtao; Wei, Yujie; Gao, Huajian
2016-01-01
Steels are heavily used in infrastructure and the transportation industry, and enhancing their fatigue resistance is a major challenge in materials engineering. In this study, by introducing a gradient microstructure into 304 austenitic steel, which is one of the most widely used types of stainless steel, we show that a strength gradient substantially enhances the fatigue life of the material. Pre-notched samples with negative strength gradients in front of the notch's tip endure many more fatigue cycles than do samples with positive strength gradients during the crack initiation stage, and samples with either type of gradient perform better than do gradient-free samples with the same average yield strength. However, as a crack grows, samples with positive strength gradients exhibit better resistance to fatigue crack propagation than do samples with negative gradients or no gradient. This study demonstrates a simple and promising strategy for using gradient structures to enhance the fatigue resistance of materials and complements related studies of strength and ductility. PMID:26907708
Strength gradient enhances fatigue resistance of steels
Ma, Zhiwei; Liu, Jiabin; Wang, Gang; Wang, Hongtao; Wei, Yujie; Gao, Huajian
2016-01-01
Steels are heavily used in infrastructure and the transportation industry, and enhancing their fatigue resistance is a major challenge in materials engineering. In this study, by introducing a gradient microstructure into 304 austenitic steel, which is one of the most widely used types of stainless steel, we show that a strength gradient substantially enhances the fatigue life of the material. Pre-notched samples with negative strength gradients in front of the notch’s tip endure many more fatigue cycles than do samples with positive strength gradients during the crack initiation stage, and samples with either type of gradient perform better than do gradient-free samples with the same average yield strength. However, as a crack grows, samples with positive strength gradients exhibit better resistance to fatigue crack propagation than do samples with negative gradients or no gradient. This study demonstrates a simple and promising strategy for using gradient structures to enhance the fatigue resistance of materials and complements related studies of strength and ductility. PMID:26907708
Strength gradient enhances fatigue resistance of steels
NASA Astrophysics Data System (ADS)
Ma, Zhiwei; Liu, Jiabin; Wang, Gang; Wang, Hongtao; Wei, Yujie; Gao, Huajian
2016-02-01
Steels are heavily used in infrastructure and the transportation industry, and enhancing their fatigue resistance is a major challenge in materials engineering. In this study, by introducing a gradient microstructure into 304 austenitic steel, which is one of the most widely used types of stainless steel, we show that a strength gradient substantially enhances the fatigue life of the material. Pre-notched samples with negative strength gradients in front of the notch’s tip endure many more fatigue cycles than do samples with positive strength gradients during the crack initiation stage, and samples with either type of gradient perform better than do gradient-free samples with the same average yield strength. However, as a crack grows, samples with positive strength gradients exhibit better resistance to fatigue crack propagation than do samples with negative gradients or no gradient. This study demonstrates a simple and promising strategy for using gradient structures to enhance the fatigue resistance of materials and complements related studies of strength and ductility.
Gradient scaling for nonuniform meshes
Margolin, L.G.; Ruppel, H.M.; Demuth, R.B.
1985-01-01
This paper is concerned with the effect of nonuniform meshes on the accuracy of finite-difference calculations of fluid flow. In particular, when a simple shock propagates through a nonuniform mesh, one may fail to model the jump conditions across the shock even when the equations are differenced in manifestly conservative fashion. We develop an approximate dispersion analysis of the numerical equations and identify the source of the mesh dependency with the form of the artificial viscosity. We then derive an algebraic correction to the numerical equations - a scaling factor for the pressure gradient - to essentially eliminate the mesh dependency. We present several calculations to illustrate our theory. We conclude with an alternate interpretation of our results. 14 refs., 5 figs.
Observation of temperature-gradient-induced magnetization.
Hou, Dazhi; Qiu, Zhiyong; Iguchi, R; Sato, K; Vehstedt, E K; Uchida, K; Bauer, G E W; Saitoh, E
2016-01-01
Applying magnetic fields has been the method of choice to magnetize non-magnetic materials, but they are difficult to focus. The magneto-electric effect and voltage-induced magnetization generate magnetization by applied electric fields, but only in special compounds or heterostructures. Here we demonstrate that a simple metal such as gold can be magnetized by a temperature gradient or magnetic resonance when in contact with a magnetic insulator by observing an anomalous Hall-like effect, which directly proves the breakdown of time-reversal symmetry. Such Hall measurements give experimental access to the spectral spin Hall conductance of the host metal, which is closely related to other spin caloritronics phenomena such as the spin Nernst effect and serves as a reference for theoretical calculation. PMID:27457185
Observation of temperature-gradient-induced magnetization
Hou, Dazhi; Qiu, Zhiyong; Iguchi, R.; Sato, K.; Vehstedt, E. K.; Uchida, K.; Bauer, G. E. W.; Saitoh, E.
2016-01-01
Applying magnetic fields has been the method of choice to magnetize non-magnetic materials, but they are difficult to focus. The magneto-electric effect and voltage-induced magnetization generate magnetization by applied electric fields, but only in special compounds or heterostructures. Here we demonstrate that a simple metal such as gold can be magnetized by a temperature gradient or magnetic resonance when in contact with a magnetic insulator by observing an anomalous Hall-like effect, which directly proves the breakdown of time-reversal symmetry. Such Hall measurements give experimental access to the spectral spin Hall conductance of the host metal, which is closely related to other spin caloritronics phenomena such as the spin Nernst effect and serves as a reference for theoretical calculation. PMID:27457185
A fast, preconditioned conjugate gradient Toeplitz solver
NASA Technical Reports Server (NTRS)
Pan, Victor; Schrieber, Robert
1989-01-01
A simple factorization is given of an arbitrary hermitian, positive definite matrix in which the factors are well-conditioned, hermitian, and positive definite. In fact, given knowledge of the extreme eigenvalues of the original matrix A, an optimal improvement can be achieved, making the condition numbers of each of the two factors equal to the square root of the condition number of A. This technique is to applied to the solution of hermitian, positive definite Toeplitz systems. Large linear systems with hermitian, positive definite Toeplitz matrices arise in some signal processing applications. A stable fast algorithm is given for solving these systems that is based on the preconditioned conjugate gradient method. The algorithm exploits Toeplitz structure to reduce the cost of an iteration to O(n log n) by applying the fast Fourier Transform to compute matrix-vector products. Matrix factorization is used as a preconditioner.
High gradient lens for charged particle beam
Chen, Yu-Jiuan
2014-04-29
Methods and devices enable shaping of a charged particle beam. A dynamically adjustable electric lens includes a series of alternating a series of alternating layers of insulators and conductors with a hollow center. The series of alternating layers when stacked together form a high gradient insulator (HGI) tube to allow propagation of the charged particle beam through the hollow center of the HGI tube. A plurality of transmission lines are connected to a plurality of sections of the HGI tube, and one or more voltage sources are provided to supply an adjustable voltage value to each transmission line of the plurality of transmission lines. By changing the voltage values supplied to each section of the HGI tube, any desired electric field can be established across the HGI tube. This way various functionalities including focusing, defocusing, acceleration, deceleration, intensity modulation and others can be effectuated on a time varying basis.
Yoshikawa, Shuji; Yasokawa, Daisuke; Nagashima, Koji; Yamazaki, Koji; Kurihara, Hideyuki; Ohta, Tomoki; Kawai, Yuji
2010-06-01
Nine different combinations of mugi koji (barley steamed and molded with Aspergillus oryzae) and halotolerant microorganisms (HTMs), Zygosaccharomyces rouxii, Candida versatilis, and Tetragenococcus halophilus, were inoculated into chum salmon sauce mash under a non-aseptic condition used in industrial fish sauce production and fermented at 35 +/- 2.5 degrees C for 84 days to elucidate the microbial dynamics (i.e., microbial count and microbiota) during fermentation. The viable count of halotolerant yeast (HTY) in fermented chum salmon sauce (FCSS) mash showed various time courses dependent on the combination of the starter microorganisms. Halotolerant lactic acid bacteria (HTL) were detected morphologically and physiologically only from FCSS mash inoculated with T. halophilus alone or with T. halophilus and C. versatilis during the first 28 days of fermentation. Only four fungal species, Z. rouxii, C. versatilis, Pichia guilliermondii, and A. oryzae, were detected throughout the fermentation by PCR-denaturing gradient gel electrophoresis (PCR-DGGE). In FCSS mash, dominant HTMs, especially eumycetes, were nonexistent. However, under the non-aseptic conditions, undesirable wild yeast such as P. guilliermondii grew fortuitously. Therefore, HTY inoculation into FCSS mash at the beginning of fermentation is effective in preventing the growth of wild yeast and the resultant unfavorable flavor. PMID:20417400
Hayamizu, Kikuko; Matsuda, Yasuaki; Matsui, Masaki; Imanishi, Nobuyuki
2015-09-01
The garnet-type solid conductor Li7-xLa3Zr2-xTaxO12 is known to have high ionic conductivity. We synthesized a series of compositions of this conductor and found that cubic Li6.6La3Zr1.6Ta0.4O12 (LLZO-Ta) has a high ionic conductivity of 3.7×10(-4)Scm(-1) at room temperature. The (7)Li NMR spectrum of LLZO-Ta was composed of narrow and broad components, and the linewidth of the narrow component varied from 0.69kHz (300K) to 0.32kHz (400K). We carried out lithium ion diffusion measurements using pulsed-field spin-echo (PGSE) NMR spectroscopy and found that echo signals were observed at T≥313K with reasonable sensitivity. The lithium diffusion behavior was measured by varying the observation time and pulsed-field gradient (PFG) strength between 313 and 384K. We found that lithium diffusion depended significantly on the observation time and strength of the PFG, which is quite different from lithium ion diffusion in liquids. It was shown that lithium ion migration in the solid conductor was distributed widely in both time and space. PMID:26051010
Controlled droplet transport on a gradient adhesion surface.
Feng, Shile; Wang, Sijie; Liu, Chengcheng; Zheng, Yongmei; Hou, Yongping
2015-04-01
A surface with continuously changed adhesion from ultrahigh to ultralow is fabricated by an integrated method of anodic oxidation combined with octafluorocyclobutane (C4F8) plasma. The control of droplet transport along the direction of the adhesion gradient in length is achieved, as the surface is submitted to either tilted angle or vibration frequency. PMID:25740352
Conjugate-Gradient Algorithms For Dynamics Of Manipulators
NASA Technical Reports Server (NTRS)
Fijany, Amir; Scheid, Robert E.
1993-01-01
Algorithms for serial and parallel computation of forward dynamics of multiple-link robotic manipulators by conjugate-gradient method developed. Parallel algorithms have potential for speedup of computations on multiple linked, specialized processors implemented in very-large-scale integrated circuits. Such processors used to stimulate dynamics, possibly faster than in real time, for purposes of planning and control.
Determination of Acidity Constants by Gradient Flow-Injection Titration
ERIC Educational Resources Information Center
Conceicao, Antonio C. L.; Minas da Piedade, Manuel E.
2006-01-01
A three-hour laboratory experiment, designed for an advanced undergraduate course in instrumental analysis that illustrates the application of the gradient chamber flow-injection titration (GCFIT) method with spectrophotometric detection to determine acidity constants is presented. The procedure involves the use of an acid-base indicator to obtain…
Accuracy of Gradient Reconstruction on Grids with High Aspect Ratio
NASA Technical Reports Server (NTRS)
Thomas, James
2008-01-01
Gradient approximation methods commonly used in unstructured-grid finite-volume schemes intended for solutions of high Reynolds number flow equations are studied comprehensively. The accuracy of gradients within cells and within faces is evaluated systematically for both node-centered and cell-centered formulations. Computational and analytical evaluations are made on a series of high-aspect-ratio grids with different primal elements, including quadrilateral, triangular, and mixed element grids, with and without random perturbations to the mesh. Both rectangular and cylindrical geometries are considered; the latter serves to study the effects of geometric curvature. The study shows that the accuracy of gradient reconstruction on high-aspect-ratio grids is determined by a combination of the grid and the solution. The contributors to the error are identified and approaches to reduce errors are given, including the addition of higher-order terms in the direction of larger mesh spacing. A parameter GAMMA characterizing accuracy on curved high-aspect-ratio grids is discussed and an approximate-mapped-least-square method using a commonly-available distance function is presented; the method provides accurate gradient reconstruction on general grids. The study is intended to be a reference guide accompanying the construction of accurate and efficient methods for high Reynolds number applications
Protein electrophoretic migration data from custom and commercial gradient gels.
Miller, Andrew J; Roman, Brandon; Norstrom, Eric M
2016-12-01
This paper presents data related to the article "A method for easily customizable gradient gel electrophoresis" (A.J. Miller, B. Roman, E.M. Norstrom, 2016) [1]. Data is presented on the rate of electrophoretic migration of proteins in both hand-poured and commercially acquired acrylamide gradient gels. For each gel, migration of 9 polypeptides of various masses was measured upon completion of gel electrophoresis. Data are presented on the migration of proteins within separate lanes of the same gel as well as migration rates from multiple gels. PMID:27622203
Gradient descent learning algorithm overview: a general dynamical systems perspective.
Baldi, P
1995-01-01
Gives a unified treatment of gradient descent learning algorithms for neural networks using a general framework of dynamical systems. This general approach organizes and simplifies all the known algorithms and results which have been originally derived for different problems (fixed point/trajectory learning), for different models (discrete/continuous), for different architectures (forward/recurrent), and using different techniques (backpropagation, variational calculus, adjoint methods, etc.). The general approach can also be applied to derive new algorithms. The author then briefly examines some of the complexity issues and limitations intrinsic to gradient descent learning. Throughout the paper, the author focuses on the problem of trajectory learning. PMID:18263297
Akar, Banu; Jiang, Bin; Somo, Sami I; Appel, Alyssa A; Larson, Jeffery C; Tichauer, Kenneth M; Brey, Eric M
2015-12-01
Gradients of soluble factors play an important role in many biological processes, including blood vessel assembly. Gradients can be studied in detail in vitro, but methods that enable the study of spatially distributed soluble factors and multi-cellular processes in vivo are limited. Here, we report on a method for the generation of persistent in vivo gradients of growth factors in a three-dimensional (3D) biomaterial system. Fibrin loaded porous poly (ethylene glycol) (PEG) scaffolds were generated using a particulate leaching method. Platelet derived growth factor BB (PDGF-BB) was encapsulated into poly (lactic-co-glycolic acid) (PLGA) microspheres which were placed distal to the tissue-material interface. PLGA provides sustained release of PDGF-BB and its diffusion through the porous structure results in gradient formation. Gradients within the scaffold were confirmed in vivo using near-infrared fluorescence imaging and gradients were present for more than 3 weeks. The diffusion of PDGF-BB was modeled and verified with in vivo imaging findings. The depth of tissue invasion and density of blood vessels formed in response to the biomaterial increased with magnitude of the gradient. This biomaterial system allows for generation of sustained growth factor gradients for the study of tissue response to gradients in vivo. PMID:26344364
Efficient Sensor Placement Optimization Using Gradient Descent and Probabilistic Coverage
Akbarzadeh, Vahab; Lévesque, Julien-Charles; Gagné, Christian; Parizeau, Marc
2014-01-01
We are proposing an adaptation of the gradient descent method to optimize the position and orientation of sensors for the sensor placement problem. The novelty of the proposed method lies in the combination of gradient descent optimization with a realistic model, which considers both the topography of the environment and a set of sensors with directional probabilistic sensing. The performance of this approach is compared with two other black box optimization methods over area coverage and processing time. Results show that our proposed method produces competitive results on smaller maps and superior results on larger maps, while requiring much less computation than the other optimization methods to which it has been compared. PMID:25196164
Two New PRP Conjugate Gradient Algorithms for Minimization Optimization Models
Yuan, Gonglin; Duan, Xiabin; Liu, Wenjie; Wang, Xiaoliang; Cui, Zengru; Sheng, Zhou
2015-01-01
Two new PRP conjugate Algorithms are proposed in this paper based on two modified PRP conjugate gradient methods: the first algorithm is proposed for solving unconstrained optimization problems, and the second algorithm is proposed for solving nonlinear equations. The first method contains two aspects of information: function value and gradient value. The two methods both possess some good properties, as follows: 1)βk ≥ 0 2) the search direction has the trust region property without the use of any line search method 3) the search direction has sufficient descent property without the use of any line search method. Under some suitable conditions, we establish the global convergence of the two algorithms. We conduct numerical experiments to evaluate our algorithms. The numerical results indicate that the first algorithm is effective and competitive for solving unconstrained optimization problems and that the second algorithm is effective for solving large-scale nonlinear equations. PMID:26502409
Separation of colloidal two dimensional materials by density gradient ultracentrifugation
NASA Astrophysics Data System (ADS)
Kuang, Yun; Song, Sha; Huang, Jinyang; Sun, Xiaoming
2015-04-01
Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials. Isopycnic separation was applied on thickness-dependent separation of graphene nanosheets. And rate-zonal separation, as a more versatile separation method, demonstrated its capability in sorting nanosheets of chemically modified single layered graphene, layered double hydroxide, and even metallic Ag. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing "reaction zones" during sedimentation of the colloids.
New Langevin and gradient thermostats for rigid body dynamics
NASA Astrophysics Data System (ADS)
Davidchack, R. L.; Ouldridge, T. E.; Tretyakov, M. V.
2015-04-01
We introduce two new thermostats, one of Langevin type and one of gradient (Brownian) type, for rigid body dynamics. We formulate rotation using the quaternion representation of angular coordinates; both thermostats preserve the unit length of quaternions. The Langevin thermostat also ensures that the conjugate angular momenta stay within the tangent space of the quaternion coordinates, as required by the Hamiltonian dynamics of rigid bodies. We have constructed three geometric numerical integrators for the Langevin thermostat and one for the gradient thermostat. The numerical integrators reflect key properties of the thermostats themselves. Namely, they all preserve the unit length of quaternions, automatically, without the need of a projection onto the unit sphere. The Langevin integrators also ensure that the angular momenta remain within the tangent space of the quaternion coordinates. The Langevin integrators are quasi-symplectic and of weak order two. The numerical method for the gradient thermostat is of weak order one. Its construction exploits ideas of Lie-group type integrators for differential equations on manifolds. We numerically compare the discretization errors of the Langevin integrators, as well as the efficiency of the gradient integrator compared to the Langevin ones when used in the simulation of rigid TIP4P water model with smoothly truncated electrostatic interactions. We observe that the gradient integrator is computationally less efficient than the Langevin integrators. We also compare the relative accuracy of the Langevin integrators in evaluating various static quantities and give recommendations as to the choice of an appropriate integrator.
New Langevin and gradient thermostats for rigid body dynamics.
Davidchack, R L; Ouldridge, T E; Tretyakov, M V
2015-04-14
We introduce two new thermostats, one of Langevin type and one of gradient (Brownian) type, for rigid body dynamics. We formulate rotation using the quaternion representation of angular coordinates; both thermostats preserve the unit length of quaternions. The Langevin thermostat also ensures that the conjugate angular momenta stay within the tangent space of the quaternion coordinates, as required by the Hamiltonian dynamics of rigid bodies. We have constructed three geometric numerical integrators for the Langevin thermostat and one for the gradient thermostat. The numerical integrators reflect key properties of the thermostats themselves. Namely, they all preserve the unit length of quaternions, automatically, without the need of a projection onto the unit sphere. The Langevin integrators also ensure that the angular momenta remain within the tangent space of the quaternion coordinates. The Langevin integrators are quasi-symplectic and of weak order two. The numerical method for the gradient thermostat is of weak order one. Its construction exploits ideas of Lie-group type integrators for differential equations on manifolds. We numerically compare the discretization errors of the Langevin integrators, as well as the efficiency of the gradient integrator compared to the Langevin ones when used in the simulation of rigid TIP4P water model with smoothly truncated electrostatic interactions. We observe that the gradient integrator is computationally less efficient than the Langevin integrators. We also compare the relative accuracy of the Langevin integrators in evaluating various static quantities and give recommendations as to the choice of an appropriate integrator. PMID:25877569
Engineering spatial gradients of signaling proteins using magnetic nanoparticles.
Bonnemay, L; Hostachy, S; Hoffmann, C; Gautier, J; Gueroui, Z
2013-11-13
Intracellular biochemical reactions are often localized in space and time, inducing gradients of enzymatic activity that may play decisive roles in determining cell's fate and functions. However, the techniques available to examine such enzymatic gradients of activity remain limited. Here, we propose a new method to engineer a spatial gradient of signaling protein concentration within Xenopus egg extracts using superparamagnetic nanoparticles. We show that, upon the application of a magnetic field, a concentration gradient of nanoparticles with a tunable length extension is established within confined egg extracts. We then conjugate the nanoparticles to RanGTP, a small G-protein controlling microtubule assembly. We found that the generation of an artificial gradient of Ran-nanoparticles modifies the spatial positioning of microtubule assemblies. Furthermore, the spatial control of the level of Ran concentration allows us to correlate the local fold increase in Ran-nanoparticle concentration with the spatial positioning of the microtubule-asters. Our assay provides a bottom-up approach to examine the minimum ingredients generating polarization and symmetry breaking within cells. More generally, these results show how magnetic nanoparticles and magnetogenetic tools can be used to control the spatiotemporal dynamics of signaling pathways. PMID:24111679
Analysis and correction of gradient nonlinearity bias in ADC measurements
Malyarenko, Dariya I.; Ross, Brian D.; Chenevert, Thomas L.
2013-01-01
Purpose Gradient nonlinearity of MRI systems leads to spatially-dependent b-values and consequently high non-uniformity errors (10–20%) in ADC measurements over clinically relevant field-of-views. This work seeks practical correction procedure that effectively reduces observed ADC bias for media of arbitrary anisotropy in the fewest measurements. Methods All-inclusive bias analysis considers spatial and time-domain cross-terms for diffusion and imaging gradients. The proposed correction is based on rotation of the gradient nonlinearity tensor into the diffusion gradient frame where spatial bias of b-matrix can be approximated by its Euclidean norm. Correction efficiency of the proposed procedure is numerically evaluated for a range of model diffusion tensor anisotropies and orientations. Results Spatial dependence of nonlinearity correction terms accounts for the bulk (75–95%) of ADC bias for FA = 0.3–0.9. Residual ADC non-uniformity errors are amplified for anisotropic diffusion. This approximation obviates need for full diffusion tensor measurement and diagonalization to derive a corrected ADC. Practical scenarios are outlined for implementation of the correction on clinical MRI systems. Conclusions The proposed simplified correction algorithm appears sufficient to control ADC non-uniformity errors in clinical studies using three orthogonal diffusion measurements. The most efficient reduction of ADC bias for anisotropic medium is achieved with non-lab-based diffusion gradients. PMID:23794533
Constrained optimization of gradient waveforms for generalized diffusion encoding
NASA Astrophysics Data System (ADS)
Sjölund, Jens; Szczepankiewicz, Filip; Nilsson, Markus; Topgaard, Daniel; Westin, Carl-Fredrik; Knutsson, Hans
2015-12-01
Diffusion MRI is a useful probe of tissue microstructure. The conventional diffusion encoding sequence, the single pulsed field gradient, has recently been challenged as more general gradient waveforms have been introduced. Out of these, we focus on q-space trajectory imaging, which generalizes the scalar b-value to a tensor valued entity. To take full advantage of its capabilities, it is imperative to respect the constraints imposed by the hardware, while at the same time maximizing the diffusion encoding strength. We provide a tool that achieves this by solving a constrained optimization problem that accommodates constraints on maximum gradient amplitude, slew rate, coil heating and positioning of radio frequency pulses. The method's efficacy and flexibility is demonstrated both experimentally and by comparison with previous work on optimization of isotropic diffusion sequences.
Constrained optimization of gradient waveforms for generalized diffusion encoding.
Sjölund, Jens; Szczepankiewicz, Filip; Nilsson, Markus; Topgaard, Daniel; Westin, Carl-Fredrik; Knutsson, Hans
2015-12-01
Diffusion MRI is a useful probe of tissue microstructure. The conventional diffusion encoding sequence, the single pulsed field gradient, has recently been challenged as more general gradient waveforms have been introduced. Out of these, we focus on q-space trajectory imaging, which generalizes the scalar b-value to a tensor valued entity. To take full advantage of its capabilities, it is imperative to respect the constraints imposed by the hardware, while at the same time maximizing the diffusion encoding strength. We provide a tool that achieves this by solving a constrained optimization problem that accommodates constraints on maximum gradient amplitude, slew rate, coil heating and positioning of radio frequency pulses. The method's efficacy and flexibility is demonstrated both experimentally and by comparison with previous work on optimization of isotropic diffusion sequences. PMID:26583528
Polarization-dependent ponderomotive gradient force in a standing wave
Smorenburg, P. W.; Kanters, J. H. M.; Lassise, A.; Brussaard, G. J. H.; Kamp, L. P. J.; Luiten, O. J.
2011-06-15
The ponderomotive force is derived for a relativistic charged particle entering an electromagnetic standing wave with a general three-dimensional field distribution and a nonrelativistic intensity, using a perturbation expansion method. It is shown that the well-known ponderomotive gradient force expression does not hold for this situation. The modified expression is still of simple gradient form but contains additional polarization-dependent terms. These terms arise because the relativistic translational velocity induces a quiver motion in the direction of the magnetic force, which is the direction of large field gradients. Consistent perturbation expansion of the equation of motion leads to an effective doubling of this magnetic contribution. The derived ponderomotive force generalizes the polarization-dependent electron motion in a standing wave obtained earlier [A. E. Kaplan and A. L. Pokrovsky, Phys. Rev. Lett. 95, 053601 (2005)]. Comparison with simulations in the case of a realistic, nonidealized, three-dimensional field configuration confirms the general validity of the analytical results.
Experiments with conjugate gradient algorithms for homotopy curve tracking
NASA Technical Reports Server (NTRS)
Irani, Kashmira M.; Ribbens, Calvin J.; Watson, Layne T.; Kamat, Manohar P.; Walker, Homer F.
1991-01-01
There are algorithms for finding zeros or fixed points of nonlinear systems of equations that are globally convergent for almost all starting points, i.e., with probability one. The essence of all such algorithms is the construction of an appropriate homotopy map and then tracking some smooth curve in the zero set of this homotopy map. HOMPACK is a mathematical software package implementing globally convergent homotopy algorithms with three different techniques for tracking a homotopy zero curve, and has separate routines for dense and sparse Jacobian matrices. The HOMPACK algorithms for sparse Jacobian matrices use a preconditioned conjugate gradient algorithm for the computation of the kernel of the homotopy Jacobian matrix, a required linear algebra step for homotopy curve tracking. Here, variants of the conjugate gradient algorithm are implemented in the context of homotopy curve tracking and compared with Craig's preconditioned conjugate gradient method used in HOMPACK. The test problems used include actual large scale, sparse structural mechanics problems.
Mathematics of Experimentally Generated Chemoattractant Gradients.
Postma, Marten; van Haastert, Peter J M
2016-01-01
Many eukaryotic cells move in the direction of a chemical gradient. Several assays have been developed to measure this chemotactic response, but no complete mathematical models of the spatial and temporal gradients are available to describe the fundamental principles of chemotaxis. Here we provide analytical solutions for the gradients formed by release of chemoattractant from a point source by passive diffusion or forced flow (micropipettes) and gradients formed by laminar diffusion in a Zigmond chamber. The results show that gradients delivered with a micropipette are formed nearly instantaneously, are very steep close to the pipette, and have a steepness that is strongly dependent on the distance from the pipette. In contrast, gradients in a Zigmond chamber are formed more slowly, are nearly independent of the distance from the source, and resemble the temporal and spatial properties of the natural cAMP wave that Dictyostelium cells experience during cell aggregation. PMID:27271915
Phase Behavior of Gradient Copolymer Solution
NASA Astrophysics Data System (ADS)
Pandav, Gunja; Gallow, Keith; Loo, Yueh-Lin; Ganesan, Venkat
2012-02-01
We study the behavior of amphiphilic linear gradient copolymer chains under poor solvent conditions. Using Bond Fluctuation model and parallel tempering algorithm, we explore qualitative behavior of this class of polymers with varying gradient strength; which is the largest difference in the instantaneous composition along the polymer chain. Under poor solvent conditions, the chains collapse to form micelles. We find a linear dependence of hydrophilic to hydrophobic transition temperature on gradient strength. Systematic analysis of these clusters reveals a strong dependence of micelle properties on gradient strength. Also, we discuss our results with reference to recent experiments on synthesis and cloud point depression in gradient copolymers confirming gradient strength as key parameter in tuning micelle properties.
Biomimetic Gradient Polymers with Enhanced Damping Capacities.
Wang, Dong; Zhang, Huan; Guo, Jing; Cheng, Beichen; Cao, Yuan; Lu, Shengjun; Zhao, Ning; Xu, Jian
2016-04-01
Designing gradient structures, mimicking biological materials, such as pummelo peels and tendon, is a promising strategy for developing advanced materials with superior energy damping capacities. Here a facile and effective approach for fabricating polymers with composition gradients at millimeter length scale is presented. The gradient thiol-ene polymers (TEPs) are created by the use of density difference of ternary thiol-ene-ene precursors and the subsequent photo-crosslinking via thiol-ene reaction. The compositional gradients are analyzed via differential scanning calorimeter (DSC), compressive modulus testing, atomic force microscopy (AFM) indentation, and swelling measurements. In contrast to homogeneous TEPs networks, the resultant gradient polymer shows a broader effective damping temperature range combining with good mechanical properties. The present result provides an effective route toward high damping materials by the fabrication of gradient structures. PMID:26776353
Ant colony optimization and stochastic gradient descent.
Meuleau, Nicolas; Dorigo, Marco
2002-01-01
In this article, we study the relationship between the two techniques known as ant colony optimization (ACO) and stochastic gradient descent. More precisely, we show that some empirical ACO algorithms approximate stochastic gradient descent in the space of pheromones, and we propose an implementation of stochastic gradient descent that belongs to the family of ACO algorithms. We then use this insight to explore the mutual contributions of the two techniques. PMID:12171633
Finite sample effect in temperature gradient focusing.
Lin, Hao; Shackman, Jonathan G; Ross, David
2008-06-01
Temperature gradient focusing (TGF) is a new and promising equilibrium gradient focusing method which can provide high concentration factors for improved detection limits in combination with high-resolution separation. In this technique, temperature-dependent buffer chemistry is employed to generate a gradient in the analyte electrophoretic velocity. By the application of a convective counter-flow, a zero-velocity point is created within a microchannel, at which location the ionic analytes accumulate or focus. In general, the analyte concentration is small when compared with buffer ion concentrations, such that the focusing mechanism works in the ideal, linearized regime. However, this presumption may at times be violated due to significant sample concentration growth or the use of a low-concentration buffer. Under these situations the sample concentration becomes non-negligible and can induce strong nonlinear interactions with buffer ions, which eventually lead to peak shifting and distortion, and the loss of detectability and resolution. In this work we combine theory, simulation, and experimental data to present a detailed study on nonlinear sample-buffer interactions in TGF. One of the key results is the derivation of a generalized Kohlrausch regulating function (KRF) that is valid for systems in which the electrophoretic mobilities are not constant but vary spatially. This generalized KRF greatly facilitates analysis, allowing reduction of the problem to a single equation describing sample concentration evolution, and is applicable to other problems with heterogeneous electrophoretic mobilities. Using this sample evolution equation we have derived an understanding of the nonlinear peak deformation phenomenon observed experimentally in TGF. We have used numerical simulations to validate our theory and to quantitatively predict TGF. Our simulation results demonstrate excellent agreement with experimental data, and also indicate that the proper inclusion of
NASA Astrophysics Data System (ADS)
Tchikaya, Euloge Budet; Chouteau, Michel; Keating, Pierre; Shamsipour, Pejman
2016-02-01
We present an inversion tool for airborne gravity gradient data that yields a 3D density model using stochastic methods i.e. cokriging and conditional simulation. This method uses geostatistical properties of the measured gravity gradient to estimate a 3D density model whose gravity response fits the measured gravity gradient anomaly. Linearity between gravity gradient data and density allows estimation of the model (density) covariance using observed data, i.e. we adjust iteratively the density covariance matrix by fitting experimental and theoretical gravity gradient covariance matrices. Inversion can be constrained by including densities known at some locations. In addition we can explore various reasonable solutions that honour both the estimated density covariance model and the gravity gradient data using geostatistical simulation. The proposed method is first tested with two synthetic datasets generated from a sharp-boundary model and a smooth stochastic model respectively. The results show the method to be capable of retrieving models compatible with the true models; it also allows the integration of complex a priori information. The technique is then applied to gravity gradient survey data collected for the Geological Survey of Canada in the area of McFaulds Lake (Ontario, Canada) using the Falcon airborne gravity system. Unconstrained inversion returns a density model that is geologically plausible and the computed response exactly fits the observed gravity gradient anomaly.
Face recognition using local gradient binary count pattern
NASA Astrophysics Data System (ADS)
Zhao, Xiaochao; Lin, Yaping; Ou, Bo; Yang, Junfeng; Wu, Zhelun
2015-11-01
A local feature descriptor, the local gradient binary count pattern (LGBCP), is proposed for face recognition. Unlike some current methods that extract features directly from a face image in the spatial domain, LGBCP encodes the local gradient information of the face's texture in an effective way and provides a more discriminative code than other methods. We compute the gradient information of a face image through convolutions with compass masks. The gradient information is encoded using the local binary count operator. We divide a face into several subregions and extract the distribution of the LGBCP codes from each subregion. Then all the histograms are concatenated into a vector, which is used for face description. For recognition, the chi-square statistic is used to measure the similarity of different feature vectors. Besides directly calculating the similarity of two feature vectors, we provide a weighted matching scheme in which different weights are assigned to different subregions. The nearest-neighborhood classifier is exploited for classification. Experiments are conducted on the FERET, CAS-PEAL, and AR face databases. LGBCP achieves 96.15% on the Fb set of FERET. For CAS-PEAL, LGBCP gets 96.97%, 98.91%, and 90.89% on the aging, distance, and expression sets, respectively.
Pressure Gradient Effects on Hypersonic Cavity Flow Heating
NASA Technical Reports Server (NTRS)
Everhart, Joel L.; Alter, Stephen J.; Merski, N. Ronald; Wood, William A.; Prabhu, Ramdas K.
2007-01-01
The effect of a pressure gradient on the local heating disturbance of rectangular cavities tested at hypersonic freestream conditions has been globally assessed using the two-color phosphor thermography method. These experiments were conducted in the Langley 31-Inch Mach 10 Tunnel and were initiated in support of the Space Shuttle Return-To-Flight Program. Two blunted-nose test surface geometries were developed, including an expansion plate test surface with nearly constant negative pressure gradient and a flat plate surface with nearly zero pressure gradient. The test surface designs and flow characterizations were performed using two-dimensional laminar computational methods, while the experimental boundary layer state conditions were inferred using the measured heating distributions. Three-dimensional computational predictions of the entire model geometry were used as a check on the design process. Both open-flow and closed-flow cavities were tested on each test surface. The cavity design parameters and the test condition matrix were established using the computational predictions. Preliminary conclusions based on an analysis of only the cavity centerline data indicate that the presence of the pressure gradient did not alter the open cavity heating for laminar-entry/laminar-exit flows, but did raise the average floor heating for closed cavities. The results of these risk-reduction studies will be used to formulate a heating assessment of potential damage scenarios occurring during future Space Shuttle flights.
Pressure Gradient Effects on Hypersonic Cavity Flow Heating
NASA Technical Reports Server (NTRS)
Everhart, Joel L.; Alter, Stephen J.; Merski, N. Ronald; Wood, William A.; Prabhu, Ramadas K.
2006-01-01
The effect of a pressure gradient on the local heating disturbance of rectangular cavities tested at hypersonic freestream conditions has been globally assessed using the two-color phosphor thermography method. These experiments were conducted in the Langley 31-Inch Mach 10 Tunnel and were initiated in support of the Space Shuttle Return-To-Flight Program. Two blunted-nose test surface geometries were developed, including an expansion plate test surface with nearly constant negative pressure gradient and a flat plate surface with nearly zero pressure gradient. The test surface designs and flow characterizations were performed using two-dimensional laminar computational methods, while the experimental boundary layer state conditions were inferred using the measured heating distributions. Three-dimensional computational predictions of the entire model geometry were used as a check on the design process. Both open-flow and closed-flow cavities were tested on each test surface. The cavity design parameters and the test condition matrix were established using the computational predictions. Preliminary conclusions based on an analysis of only the cavity centerline data indicate that the presence of the pressure gradient did not alter the open cavity heating for laminar-entry/laminar-exit flows, but did raise the average floor heating for closed cavities. The results of these risk-reduction studies will be used to formulate a heating assessment of potential damage scenarios occurring during future Space Shuttle flights.
Polymer brush gradients grafted from plasma-polymerized surfaces.
Coad, Bryan R; Bilgic, Tugba; Klok, Harm-Anton
2014-07-22
A new method for generating a surface density gradient of polymer chains is presented. A substrate-independent polymer deposition technique was used to coat materials with a chemical gradient based on plasma copolymerization of 1,7-octadiene and allylamine. This provided a uniform chemical gradient to which initiators for atom transfer radical polymerization (ATRP) were immobilized. After surface-initiated atom transfer radical polymerization (SI-ATRP), poly(2-hydroxyethyl methacrylate) (PHEMA) chains were grafted from the surface and the measured thickness profiles provided direct evidence for how surface crowding provides an entropic driving force resulting in chain extension away from the surface. Film thicknesses were found to increase with the position along the gradient surface, reflecting the gradual transition from collapsed to more extended surface-tethered polymer chains as the grafting density increased. The method described is novel in that the approach provides covalent linkages from the polymer coating to the substrate and is not limited to a particular surface chemistry of the starting material. PMID:24967529
Gradient Improvement by Removal of Identified Local Defects
R.L. Geng, W.A. Clemens, C.A. Cooper, H. Hayano, K. Watanabe
2011-07-01
Recent experience of ILC cavity processing and testing at Jefferson Lab has shown that some 9-cell cavities are quench limited at a gradient in the range of 15-25 MV/m. Further studies reveal that these quench limits are often correlated with sub-mm sized and highly localized geometrical defects at or near the equator weld. There are increasing evidence to show that these genetic defects have their origin in the material or in the electron beam welding process (for example due to weld irregularities or splatters on the RF surface and welding porosity underneath the surface). A local defect removal method has been proposed at Jefferson Lab by locally re-melting the niobium material. Several 1-cell cavities with known local defects have been treated by using the JLab local e-beam re-melting method, resulting in gradient and Q0 improvement. We also sent 9-cell cavities with known gradient limiting local defects to KEK for local grinding and to FNAL for global mechanical polishing. We report on the results of gradient improvements by removal of local defects in these cavities.
Gradient Sensing: Engineering the Yeast Love Affair.
Goryachev, Andrew B; Leda, Marcin
2016-06-01
A new study in fission yeasts promotes the notion that transient polarity patches that wander the cell surface at the onset of mating are discrete agents of gradient sensing. This concept unexpectedly bridges the modes of gradient sensing in eukaryotes and prokaryotes. PMID:27269722
An Inexpensive Digital Gradient Controller for HPLC.
ERIC Educational Resources Information Center
Brady, James E.; Carr, Peter W.
1983-01-01
Use of gradient elution techniques in high performance liquid chromatography (HPLC) is often essential for direct separation of complex mixtures. Since most commercial controllers have features that are of marginal value for instructional purposes, a low-cost controller capable of illustrating essential features of gradient elution was developed.…
Microinstabilities in weak density gradient tokamak systems
Tang, W.M.; Rewoldt, G.; Chen, L.
1986-04-01
A prominent characteristic of auxiliary-heated tokamak discharges which exhibit improved (''H-mode type'') confinement properties is that their density profiles tend to be much flatter over most of the plasma radius. Depsite this favorable trend, it is emphasized here that, even in the limit of zero density gradient, low-frequency microinstabilities can persist due to the nonzero temperature gradient.
Ren, Y; Mazzucato, E; Guttenfelder, W; Bell, R E; Domier, C W; LeBlanc, B P; Lee, K C; Luhmann Jr, N C; Smith, D R
2011-03-21
In this letter we report the first clear experimental observation of density gradient stabilization of electron temperature gradient driven turbulence in a fusion plasma. It is observed that longer wavelength modes, k⊥ρs ≤10, are most stabilized by density gradient, and the stabilization is accompanied by about a factor of two decrease in the plasma effective thermal diffusivity.
Ren, Y; Kaye, S M; Mazzucato, E; Guttenfelder, W; Bell, R E; Domier, C W; LeBlanc, B P; Lee, K C; Luhmann, N C; Smith, D R; Yuh, H
2011-04-22
In this Letter we report the first clear experimental observation of density gradient stabilization of electron temperature gradient driven turbulence in a fusion plasma. It is observed that longer wavelength modes, k(⊥)ρ(s) ≲ 10, are most stabilized by density gradient, and the stabilization is accompanied by about a factor of 2 decrease in the plasma effective thermal diffusivity. PMID:21599377
Can Molecular Gradients Wire the Brain?
Goodhill, Geoffrey J
2016-04-01
Concentration gradients are believed to play a key role in guiding axons to their appropriate targets during neural development. However, there are fundamental physical constraints on gradient detection, and these strongly limit the fidelity with which axons can respond to gradient cues. I discuss these constraints and argue they suggest that many axon guidance events in vivo cannot be explained solely in terms of gradient-based mechanisms. Rather, precise wiring requires the collaboration of gradients with other types of guidance cues. Since we know relatively little about how this might work, I argue that our understanding of how the brain becomes wired up during development is still at an early stage. PMID:26927836
Docherty, Paul D; Schranz, Christoph; Chase, J Geoffrey; Chiew, Yeong Shiong; Möller, Knut
2014-05-01
Accurate model parameter identification relies on accurate forward model simulations to guide convergence. However, some forward simulation methodologies lack the precision required to properly define the local objective surface and can cause failed parameter identification. The role of objective surface smoothness in identification of a pulmonary mechanics model was assessed using forward simulation from a novel error-stepping method and a proprietary Runge-Kutta method. The objective surfaces were compared via the identified parameter discrepancy generated in a Monte Carlo simulation and the local smoothness of the objective surfaces they generate. The error-stepping method generated significantly smoother error surfaces in each of the cases tested (p<0.0001) and more accurate model parameter estimates than the Runge-Kutta method in three of the four cases tested (p<0.0001) despite a 75% reduction in computational cost. Of note, parameter discrepancy in most cases was limited to a particular oblique plane, indicating a non-intuitive multi-parameter trade-off was occurring. The error-stepping method consistently improved or equalled the outcomes of the Runge-Kutta time-integration method for forward simulations of the pulmonary mechanics model. This study indicates that accurate parameter identification relies on accurate definition of the local objective function, and that parameter trade-off can occur on oblique planes resulting prematurely halted parameter convergence. PMID:23910223
Induced population gradients in galaxy merger remnants
NASA Technical Reports Server (NTRS)
Mihos, J. Christopher; Hernquist, Lars
1994-01-01
We use numerical models to investigate the nature of induced population gradients in merger remnants. As noted by White, we find that the population mixing in stellar-dynamical mergers is rather moderate, leading to metallicity gradients in the remnant that are closely tied to gradients in the progenitor galaxies. Furthermore, the resultant metallicity gradients are poorly fitted by power laws, showing significant nonlinearities within an effective radius. If constant metallicity bulges are added to the progenitor disks, the strong relation between final and initial metallicity gradients is diluted, but the final gradients are still not well fitted by power laws. Detailed studies of the shape of the metallicity gradients in elliptical galaxies should help determine the degree to which stellar-dynamical mergers have contributed to the population of present-day ellipticals. We also consider the effects of centrally concentrated starbursts on metallicity gradients. Using simple models for metallicity enhancement, we find that addition of a metal-rich starburst population can reproduce the magnitude and shape of metallicity gradients observed in elliptical galaxies. However, even in such cases the metallicity gradients in the merger remnant should steepen significantly beyond an effective radius. Modelling such merger-induced starbursts with population synthesis techniques, we find that if the starburst is characterized by solar metallicity, it should be detectable as a bluing of the nuclear regions for several Gyr. However, if the starburst is metal-rich, the reddening effects of higher metallicity makes the broad-band signature of the starburst much more difficult to detect.