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NASA NTRS1976

Polynominal Interpolation Methods for Viscous Flow Calculations

Higher-order collocation procedures resulting in tridiagonal matrix systems are derived from polynomial spline interpolation and by Hermitian (Taylor series) finite-difference discretization. The similarities and special features of these different developments are discussed. The governing systems apply for both uniform and variable meshes. Hybrid schemes resulting from two different polynomial approximations for the first and second derivatives lead to a nonuniform mesh extension of the so-called compact or Pad? difference technique (Hermite 4). A variety of fourth-order methods are described and the Hermitian approach is extended to sixth-order (Hermite 6). The appropriate spline boundary conditions are derived for all procedures. For central finite differences, this leads to a two-point, second-order accurate generalization of the commonly used three-point end-difference formula. Solutions with several spline and Hermite procedures are presented for the boundary layer equations, with and without mass transfer, and for the incompressible viscous flow in a driven cavity. Divergence and nondivergence equations are considered for the cavity. Among the fourth-order techniques, it is shown that spline 4 has the smallest truncation error. The spline 4 procedure generally requires one-quarter the number of mesh points in a given coordinate direction as a central finite-difference calculation of equal accuracy. The Hermite 6 procedure leads to remarkably accurate boundary layer solutions.

Rubin, S. G.↗

NASA NTRS1991

An evaluation of HEMT potential for millimeter-wave signal sources using interpolation and harmonic balance techniques

A large-signal analysis method based on an harmonic balance technique and a 2-D cubic spline interpolation function has been developed and applied to the prediction of InP-based HEMT oscillator performance for frequencies extending up to the submillimeter-wave range. The large-signal analysis method uses a limited number of DC and small-signal S-parameter data and allows the accurate characterization of HEMT large-signal behavior. The method has been validated experimentally using load-pull measurement. Oscillation frequency, power performance, and load requirements are discussed, with an operation capability of 300 GHz predicted using state-of-the-art devices (fmax is approximately equal to 450 GHz).

Kwon, Youngwoo↗

NASA NTRS1992

Program For Logarithmic Interpolation Of Test Data

DATASPACE program establishes logarithmically increasing time interval in relaxation data. First takes logarithm of abscissa values, then uses cubic-spline interpolation routine to create evenly spaced array from log values. As result of interpolation, data increasingly spaced. Experimental data curve retained, and interpolated points reflect desired spacing. Applicable to any situation with need for increasingly spaced abscissa values in set of data. Written in FORTRAN 77.

Ledbetter, Frank E., II↗

DOE OSTI2020

A Hybrid Lagrangian/Eulerian Collocated Velocity Advection and Projection Method for Fluid Simulation

Abstract We present a hybrid particle/grid approach for simulating incompressible fluids on collocated velocity grids. Our approach supports both particle‐based Lagrangian advection in very detailed regions of the flow and efficient Eulerian grid‐based advection in other regions of the flow. A novel Backward Semi‐Lagrangian method is derived to improve accuracy of grid based advection. Our approach utilizes the implicit formula associated with solutions of the inviscid Burgers’ equation. We solve this equation using Newton's method enabled by C 1 continuous grid interpolation. We enforce incompressibility over collocated, rather than staggered grids. Our projection technique is variational and designed for B‐spline interpolation over regular grids where multiquadratic interpolation is used for velocity and multilinear interpolation for pressure. Despite our use of regular grids, we extend the variational technique to allow for cut‐cell definition of irregular flow domains for both Dirichlet and free surface boundary conditions.

Gagniere, S.↗

DOE OSTI2016

DNDO Report: Predicting Solar Modulation Potentials for Modeling Cosmic Background Radiation

The modeling of the detectability of special nuclear material (SNM) at ports and border crossings requires accurate knowledge of the background radiation at those locations. Background radiation originates from two main sources, cosmic and terrestrial. Cosmic background is produced by high-energy galactic cosmic rays (GCR) entering the atmosphere and inducing a cascade of particles that eventually impact the earth’s surface. The solar modulation potential represents one of the primary inputs to modeling cosmic background radiation. Usosokin et al. formally define solar modulation potential as “the mean energy loss [per unit charge] of a cosmic ray particle inside the heliosphere…” Modulation potential, a function of elevation, location, and time, shares an inverse relationship with cosmic background radiation. As a result, radiation detector thresholds require adjustment to account for differing background levels, caused partly by differing solar modulations. Failure to do so can result in higher rates of false positives and failed detection of SNM for low and high levels of solar modulation potential, respectively. This study focuses on solar modulation’s time dependence, and seeks the best method to predict modulation for future dates using Python. To address the task of predicting future solar modulation, we utilize both non-linear least squares sinusoidal curve fitting and cubic spline interpolation. This material will be published in transactions of the ANS winter meeting of November, 2016.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1990

Application of the operator spline technique to nonlinear estimation and control of moving elastic systems

A bilinear model of the vibrational dynamics of a deformable maneuvering body is described. Estimates of the deformation state are generated through a low dimensional operator spline interpolator of bilinear systems combined with a feedback linearized based observer. Upper bounds on error estimates are also generated through the operator spline, and potential application to shaping control purposes is highlighted.

Karray, Fakhreddine↗

NASA NTRS1995

Elliptic surface grid generation on minimal and parmetrized surfaces

An elliptic grid generation method is presented which generates excellent boundary conforming grids in domains in 2D physical space. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the familiar Poisson grid generation system with control functions specified by the algebraic transformation. New expressions are given for the control functions. Grid orthogonality at the boundary is achieved by modification of the algebraic transformation. It is shown that grid generation on a minimal surface in 3D physical space is in fact equivalent to grid generation in a domain in 2D physical space. A second elliptic grid generation method is presented which generates excellent boundary conforming grids on smooth surfaces. It is assumed that the surfaces are parametrized and that the grid only depends on the shape of the surface and is independent of the parametrization. Concerning surface modeling, it is shown that bicubic Hermite interpolation is an excellent method to generate a smooth surface which is passing through a given discrete set of control points. In contrast to bicubic spline interpolation, there is extra freedom to model the tangent and twist vectors such that spurious oscillations are prevented.

Spekreijse, S. P.↗

DOE OSTI2020

Numerical integrators for Lagrangian oceanography

Abstract. A common task in Lagrangian oceanography is to calculate a large number of drifter trajectories from a velocity field precalculated with an ocean model. Mathematically, this is simply numerical integration of an ordinary differential equation (ODE), for which a wide range of different methods exist. However, the discrete nature of the modelled ocean currents requires interpolation of the velocity field in both space and time, and the choice of interpolation scheme has implications for the accuracy and efficiency of the different numerical ODE methods. We investigate trajectory calculation in modelled ocean currents with 800 m, 4 km, and 20 km horizontal resolution, in combination with linear, cubic and quintic spline interpolation. We use fixed-step Runge–Kutta integrators of orders 1–4, as well as three variable-step Runge–Kutta methods (Bogacki–Shampine 3(2), Dormand–Prince 5(4) and 8(7)). Additionally, we design and test modified special-purpose variants of the three variable-step integrators, which are better able to handle discontinuous derivatives in an interpolated velocity field. Our results show that the optimal choice of ODE integrator depends on the resolution of the ocean model, the degree of interpolation, and the desired accuracy. For cubic interpolation, the commonly used Dormand–Prince 5(4) is rarely the most efficient choice. We find that in many cases, our special-purpose integrators can improve accuracy by many orders of magnitude over their standard counterparts, with no increase in computational effort. Equivalently, the special-purpose integrators can provide the same accuracy as standard methods at a reduced computational cost. The best results are seen for coarser resolutions (4 and 20 km), thus the special-purpose integrators are particularly advantageous for research using regional to global ocean models to compute large numbers of trajectories. Our results are also applicable to trajectory computations on data from atmospheric models.

58 GEOSCIENCES↗

NASA NTRS1991

Algebraic grid generation for complex geometries

An efficient computer program called GRID2D/3D has been developed to generate single and composite grid systems within geometrically complex two- and three-dimensional (2D and 3D) spatial domains that can deform with time. GRID2D/3D generates single grid systems by using algebraic grid generation methods based on transfinite interpolation. The distribution of grid points within the spatial domain is controlled by stretching functions and grid lines can intersect boundaries of the spatial domain orthogonally. GRID2D/3D generates composite grid systems by patching together two or more single grid systems. The patching can be discontinuous or continuous. For 2D spatial domains the boundary curves are constructed by using either cubic or tension spline interpolation. For 3D spatial domains the boundary surfaces are constructed by using a new technique, developed in this study, referred to as 3D bidirectional Hermite interpolation.

Shih, T. I.-P.↗

NASA NTRS1972

Interpolation using surface splines.

A surface spline is a mathematical tool for interpolating a function of two variables. It is based upon the small deflection equation of an infinite plate. The surface spline depends upon the solution of a system of linear equations, and thus, will ordinarily require the use of a digital computer. The closed form solution involves no functions more complicated than logarithms, and is easily coded. Several modifications which can be incorporated are discussed.

Harder, R. L.↗

DOE OSTI2014

SU-E-I-41: Non-Cartesian MR Image Reconstruction with Integrated Gradient Non-Linearity Correction

Purpose: Nonlinearities in the spatial encoding gradients of MRI systems cause geometric distortion in images. Typically, this is retrospectively corrected via image-domain interpolation (a.k.a., “gradwarp”) albeit with a loss of spatial resolution. For non-Cartesian MRI, the latter problem is exaggerated by noise and undersampling artifact. In this study, we describe a novel correction strategy that accounts for gradient nonlinearities during — rather than after — non-Cartesian MRI reconstruction, and demonstrate that this approach mitigates the resolution loss that can occur with standard methods. Methods: To test the proposed method, the American College of Radiology (ACR) quality control phantom was scanned on at 1.5 T (General Electric, v16.0, “zoom” gradient) using a 1.6x undersampled 3D non- Cartesian Shells trajectory (GRE, FOV=24 cm3, 120 shells, 16552 shots, 512 readout, matrix=2403). Image reconstruction was first performed via standard k-space density-compensated gridding and retrospectively corrected via cubic spline interpolation. Image reconstruction was then separately performed using a k-space and image-domain densitycompensated type-3 non-uniform fast Fourier transform (NUFFT), which provides a direct mapping between non-Cartesian k-space samples and warped image space voxel locations. Thus, no separate distortion correction procedure is needed for the proposed approach. The gradient distortion field was determined using vendor provided calibration data. Results: Phantom scan results show that both processing approaches successfully correct geometric distortion. However, visual inspection of the ACR phantom spatial resolution inserts shows that the proposed strategy preserves the resolution of the nominal (uncorrected) reconstruction while “gradwarp” imparts marked spatial blurring (especially for the 1.0 and 1.1 mm inserts) and thus resolution loss. Conclusion: We've presented a novel reconstruction strategy for non-Cartesian MRI that corrects for gradient nonlinearities during — rather than after — reconstruction, and thus better preserves image resolution than traditional interpolation-based methods. This approach is expected to be especially advantageous when imaging with non-standard magnet geometries. NIH RR018898; NIH EB10065.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2018

Detection of Lung Contour with Closed Principal Curve and Machine Learning

Radiation therapy plays an essential role in the treatment of cancer. In radiation therapy, the ideal radiation doses are delivered to the observed tumor while not affecting neighboring normal tissues. In three-dimensional computed tomography (3D-CT) scans, the contours of tumors and organs-at-risk (OARs) are often manually delineated by radiologists. The task is complicated and time-consuming, and the manually delineated results will be variable from different radiologists. We propose a semi-supervised contour detection algorithm, which firstly uses a few points of region of interest (ROI) as an approximate initialization. Then the data sequences are achieved by the closed polygonal line (CPL) algorithm, where the data sequences consist of the ordered projection indexes and the corresponding initial points. Finally, the smooth lung contour can be obtained, when the data sequences are trained by the backpropagation neural network model (BNNM). We use the private clinical dataset and the public Lung Image Database Consortium and Image Database Resource Initiative (LIDC-IDRI) dataset to measure the accuracy of the presented method, respectively. To the private dataset, experimental results on the initial points which are as low as 15% of the manually delineated points show that the Dice coefficient reaches up to 0.95 and the global error is as low as 1.47 × 10{sup −2}. The performance of the proposed algorithm is also better than the cubic spline interpolation (CSI) algorithm. While on the public LIDC-IDRI dataset, our method achieves superior segmentation performance with average Dice of 0.83.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2019

The numerical investigation of colliding optical solitons as an all-optical-gate using the method of Lines

The bidirectional propagation and collision of counter-propagating optical solitons in a two-level resonant medium is analyzed. For sufficiently short duration of the pulses and sufficiently high power levels, self-induced transparency allows the pulses to propagate without losses at anomalously low velocities. Here, we use an extended semiclassical approach, called Maxwell–Bloch model. The quantization of the electromagnetic field is neglected, however, a full quantum mechanical formulation is used to describe the behavior of the matter. The numerical simulations are performed by using the method of lines. For improved accuracy, spline interpolation of the fields is introduced. Results are presented to demonstrate the use of soliton collision for all-optical switching, in particular, as OR- and XOR-gates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Inclusion Capture Probability Prediction Model for Bubble Floatation in Turbulent Steel Flow

The turbulent flow around bubbles is simulated for the fixed turbulent kinetic energy. Inclusion motion through the flow field is studied by considering the stochastic effect of turbulence to calculate the capture probability of inclusions with different sizes to a fixed-size individual bubble according to the redefinition. Using the cubic spline interpolation, the capture probability is predicted as functions of the bubble size, inclusion size and turbulent kinetic energy.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A numerical approach for solving a class of variable-order fractional functional integral equations

This paper proposes new discretization techniques to estimate variable-order fractional integral operators based on the piecewise integro quadratic spline interpolation. The proposed methods are modified to solve a class of variable-order fractional functional integral equations. Moreover, we investigate the performance of the proposed methods by solving the variable-order fractional pantograph and Emden–Fowler functional integral equations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Canonical Approach To Generate Multidimensional Potential Energy Surfaces

A new force-based canonical approach for the accurate generation of multidimensional potential energy surfaces is demonstrated. Canonical transformations previously developed for diatomic molecules are used to construct accurate approximations to the 3-dimensional potential energy surface of the water molecule from judiciously chosen (adopting the right coordinate system) 1-dimensional planar slices that are shown to have the same canonical shape as the classical Lennard-Jones potential curve. Spline interpolation is then used to piece together the 1-dimensional canonical potential curves, to obtain the full 3-dimensional potential energy surface of a water molecule with a relative error less than 0.01. This work provides an approach to greatly reduce the computational cost of constructing potential energy surfaces in molecules from ab initio calculations. The canonical transformation techniques developed in this work illuminate a pathway to deepening our understanding of chemical bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Scattering study of the Ne + NeH{sup +}(v{sub 0} = 0, j{sub 0} = 0) → NeH{sup +} + Ne reaction on an ab initio based analytical potential energy surface

Initial state selected dynamics of the Ne + NeH{sup +}(v{sub 0} = 0, j{sub 0} = 0) → NeH{sup +} + Ne reaction is investigated by quantum and statistical quantum mechanical (SQM) methods on the ground electronic state. The three-body ab initio energies on a set of suitably chosen grid points have been computed at CCSD(T)/aug-cc-PVQZ level and analytically fitted. The fitting of the diatomic potentials, computed at the same level of theory, is performed by spline interpolation. A collinear [NeHNe]{sup +} structure lying 0.72 eV below the Ne + NeH{sup +} asymptote is found to be the most stable geometry for this system. Energies of low lying vibrational states have been computed for this stable complex. Reaction probabilities obtained from quantum calculations exhibit dense oscillatory structures, particularly in the low energy region and these get partially washed out in the integral cross section results. SQM predictions are devoid of oscillatory structures and remain close to 0.5 after the rise at the threshold thus giving a crude average description of the quantum probabilities. Statistical cross sections and rate constants are nevertheless in sufficiently good agreement with the quantum results to suggest an important role of a complex-forming dynamics for the title reaction.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

A general reconstruction of the recent expansion history of the universe

Distance measurements are currently the most powerful tool to study the expansion history of the universe without specifying its matter content nor any theory of gravitation. Assuming only an isotropic, homogeneous and flat universe, in this work we introduce a model-independent method to reconstruct directly the deceleration function via a piecewise function. Including a penalty factor, we are able to vary continuously the complexity of the deceleration function from a linear case to an arbitrary (n+1)-knots spline interpolation. We carry out a Monte Carlo (MC) analysis to determine the best penalty factor, evaluating the bias-variance trade-off, given the uncertainties of the SDSS-II and SNLS supernova combined sample (JLA), compilations of baryon acoustic oscillation (BAO) and H(z) data. The bias-variance analysis is done for three fiducial models with different features in the deceleration curve. We perform the MC analysis generating mock catalogs and computing their best-fit. For each fiducial model, we test different reconstructions using, in each case, more than 10{sup 4} catalogs in a total of about 5× 10{sup 5}. This investigation proved to be essential in determining the best reconstruction to study these data. We show that, evaluating a single fiducial model, the conclusions about the bias-variance ratio are misleading. We determine the reconstruction method in which the bias represents at most 10% of the total uncertainty. In all statistical analyses, we fit the coefficients of the deceleration function along with four nuisance parameters of the supernova astrophysical model. For the full sample, we also fit H{sub 0} and the sound horizon r{sub s}(z{sub d}) at the drag redshift. The bias-variance trade-off analysis shows that, apart from the deceleration function, all other estimators are unbiased. Finally, we apply the Ensemble Sampler Markov Chain Monte Carlo (ESMCMC) method to explore the posterior of the deceleration function up to redshift 1.3 (using only JLA) and 2.3 (JLA+BAO+H(z)). We obtain that the standard cosmological model agrees within 3σ level with the reconstructed results in the whole studied redshift intervals. Since our method is calibrated to minimize the bias, the error bars of the reconstructed functions are a good approximation for the total uncertainty.

79 ASTRONOMY AND ASTROPHYSICS↗