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DOE OSTI2020

The effects of introducing elasticity using different interpolation schemes to the grand potential phase field model

Introducing elastic energy in the phase field method has been shown to influence interfacial energy, depending on the elastic interpolation scheme. This study investigates the impact of the elastic energy when using a grand potential-based phase field method, comparing the result of Khachaturyan’s strain interpolation scheme (KHS) and Voight-Taylor’s elastic energy interpolation scheme (VTS). The KHS model leads to a decrease in the interfacial energy, while the VTS model leads to an increase. The change in interfacial energy is greater with the VTS model than the KHS model, which suggests that the KHS model is more appropriate to limit the artificial impact of the elastic energy on the interfacial energy. When the contribution at the interface is not negligible, it is shown that both the microstructure evolution kinetics and the equilibrium microstructure can be influenced by the choice of the elastic scheme being used. In addition, this paper shows that the grand potential model might not be appropriate when the system requires the introduction of a composition-dependent term in the elastic energy contribution. This limitation is due to the need for an explicit and invertible relation between the total potential and the composition.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Stabilized bases for high-order, interpolation semi-Lagrangian, element-based tracer transport

In a computational fluid model of the atmosphere, the advective transport of trace species, or tracers, can be computationally expensive. For efficiency, models often use semi-Lagrangian advection methods. High-order interpolation semi-Lagrangian (ISL) methods, in particular, can be extremely efficient, if the problem of property preservation specific to them can be addressed. Atmosphere models often use geometrically and logically nonuniform grids for efficiency and, as a result, element-based discretizations. Such grids and discretizations make stability a particular problem for ISL methods. Generally, high-order, element-based ISL methods that use the natural polynomial interpolant associated with a nodal finite-element discretization are unstable. Here, we derive new bases having order of accuracy up to nine, with positive nodal weights, that stabilize the element-based ISL method. We use these bases to construct the linear advection operator in the property-preserving Interpolation Semi-Lagrangian Element-based Transport (Islet) method. Then we discuss key software implementation details. Finally, we show performance results for the Energy Exascale Earth System Model's atmosphere dynamical core, comparing the original and new transport methods. These simulations used up to 27,600 Graphical Processing Units (GPU) on the Oak Ridge Leadership Computing Facility's Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Dimensional interpolation for metallic hydrogen

In this work, we employ a simple and mostly accurate dimensional interpolation formula using dimensional limits D = 1 and D = ∞ to obtain D = 3 ground-state energy of metallic hydrogen. We also present results describing the phase transitions for different symmetries of three-dimensional structure lattices. The interpolation formula not only predicts fairly accurate energies but also predicts a correct functional form of the energy as a function of the lattice parameters. That allows us to calculate different physical quantities such as the bulk modulus, Debye temperature, and critical transition temperature, from the gradient and the curvature of the energy curve as a function of the lattice parameters. These theoretical calculations suggest that metallic hydrogen is a likely candidate for high temperature superconductivity. The dimensional interpolation formula is robust and might be useful to obtain the energies of complex many-body systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Interpolating individual line-of-sight neutron spectrometer measurements onto the “sky” at the National Ignition Facility (NIF)

Nuclear diagnostics provide measurements of inertial confinement fusion implosions used as metrics of performance for the shot. The interpretation of these measurements for shots with low mode asymmetries requires a way of combining the data to produce a “sky map” where the individual line-of-sight values are used to interpolate to other positions in the sky. These interpolations can provide information regarding the orientation of the low mode asymmetries. We describe the interpolation method, associated uncertainties, and correlations between different metrics, e.g., Tion, down scatter ratio, and hot-spot velocity direction. This work is also related to recently reported studies [H. G. Rinderknecht et al., Phys. Rev. Lett. 124, 145002 (2020) and K. M. Woo et al., Phys. Plasmas 27, 062702 (2020)] of low mode asymmetries. We report an analysis that makes use of a newly commissioned line of sight, a scheme for incorporating multiple neutron spectrum measurement types, and recent work on the sources of implosion asymmetry to provide a more complete picture of implosion performance.

Hartouni, E. P. (ORCID:0000000198694351)↗

DOE OSTI2025

Least H 2 norm updating of quadratic interpolation models for derivative-free trust-region algorithms

One particular class of derivative-free optimization algorithms is trust-region algorithms based on quadratic models given by the under-determined interpolation. Different techniques in updating the quadratic model from iteration to iteration will give different interpolation models. We propose a new way to update the quadratic model by minimizing the $H^{2}$ norm of the difference between neighboring quadratic models. The motivation for applying the $H^{2}$ norm is given. The theoretical properties of our new updating technique are also presented. We propose the projection in the sense of $H^{2}$ norm and the interpolation error analysis of our model function. We obtain the coefficients of the quadratic model function using the Karush–Kuhn–Tucker (KKT) conditions. Numerical results show the advantages of our model on the test set considered, and the derivative-free algorithms based on our least $H^{2}$ norm updating quadratic model functions can solve test problems with fewer function evaluations than the algorithm based on the least Frobenius norm updating model and the other compared methods.

derivative-free optimization↗

DOE OSTI2022

Interpolating between small- and large-$\mathscr{g}$ expansions using Bayesian model mixing

Bayesian model mixing (BMM) is a statistical technique that can be used to combine models that are predictive in different input domains into a composite distribution that has improved predictive power over the entire input space. We explore the application of BMM to the mixing of two expansions of a function of a coupling constant $\mathscr{g}$ that are valid at small and large values of $\mathscr{g}$ respectively. This type of problem is quite common in nuclear physics, where physical properties are straightforwardly calculable in strong and weak interaction limits or at low and high densities or momentum transfers, but difficult to calculate in between. Interpolation between these limits is often accomplished by a suitable interpolating function, e.g., Padé approximants, but it is then unclear how to quantify the uncertainty of the interpolant. We address this problem in the simple context of the partition function of zero-dimensional Φ 4 theory, for which the (asymptotic) expansion at small $\mathscr{g}$ and the (convergent) expansion at large $\mathscr{g}$ are both known. We consider three mixing methods: linear mixture BMM, localized bivariate BMM, and localized multivariate BMM with Gaussian processes. Here, we find that employing a Gaussian process in the intermediate region between the two predictive models leads to the best results of the three methods. The methods and validation strategies we present here should be generalizable to other nuclear physics settings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Interpolation Models and Error Bounds for Verifiable Scientific Machine Learning

This repository contains python scripts and numerical data accompanying the paper: "Leveraging Interpolation Models and Error Bounds for Verifiable Scientific Machine Learning," Tyler Chang, Andrew Gillette, Romit Maulik, 2024. The following subdirectories are included: - "interpolants" contains our interpolation scripts used for all studies - "experiments" contains scripts demonstrating our experiments with synthetic data - "airfoil" contains scripts demonstrating our experiments with the publicly available UIUC airfoil dataset. Further instructions are provided in READMEs within the sub-directories.

Gillette, Andrew↗

DOE OSTI2021

Algebraic Multigrid with Optimal Interpolation and Adaptive Smoothers (Final Report)

The project team continued with work on developing new bootstrap AMG techniques for solving symmetric and non-symmetric PDE systems. The focus of this work is to derive more reliable measures of the quality of the coarse space set than the convergence rate of the standard F-relaxation form of CR and a more robust form of interpolation than the so-called ideal form. We have successfully derived a sharp variant of CR that gives the precise convergence rate of the two-grid method using this optimal interpolation and, in addition, we derived a new Generalized Bootstrap AMG setup algorithm that uses as its main tool a multilevel eigensolver for the generalized eigenvalue problem involving the system matrix and the symmetrized smoother. In addition, the approach allows for general block smoothers with overlap. We have applied the method to scalar diffusion problems, linear elasticity, and Maxwell’s and the method shows marked improvements over existing AMG methods for these problems. In addition, the team worked with CASC members on new forms of ideal AMG interpolation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Scalable Interpolation on GPUs for Thermal Fluids Applications

The need for efficient interpolation arises in many use cases for spectral element simulations. Towards this end, we present a fast and robust GPU-enable interpolation utility for NekRS, a spectral-element, Navier-Stokes solver. This utility is based on the findpts and findpts eval routines from the gslib library. To demonstrate the functionality, we added support for particle tracking. The GPU implementation of the interpolation allows for tracking 100 times more particles for the same computational cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1973

Curvilinear bicubic spline fit interpolation scheme

Modification of the rectangular bicubic spline fit interpolation scheme so as to make it suitable for use with a polar grid pattern. In the proposed modified scheme the interpolation function is expressed in terms of the radial length and the arc length, and the shape of the patch, which is a wedge or a truncated wedge, is taken into account implicitly. Examples are presented in which the proposed interpolation scheme was used to reproduce the equations of a hemisphere.

Chi, C.↗

NASA NTRS1974

Error in interpolation and choice of the range of discreteness in measurements in a hydrophysical field

Errors in interpolation and the choosing of the range of discreteness when making measurements in a hydrophysical field are discussed. Equations for optimum interpolating based on the theory of linear interpolation of stationary random sequences are presented; analogous equations are derived for the case of data collected at stations located at the apices of a right triangle.

Zudin, O. F.↗

NASA NTRS1977

Spectral interpolation - Zero fill or convolution

Zero fill, or augmentation by zeros, is a method used in conjunction with fast Fourier transforms to obtain spectral spacing at intervals closer than obtainable from the original input data set. In the present paper, an interpolation technique (interpolation by repetitive convolution) is proposed which yields values accurate enough for plotting purposes and which lie within the limits of calibration accuracies. The technique is shown to operate faster than zero fill, since fewer operations are required. The major advantages of interpolation by repetitive convolution are that efficient use of memory is possible (thus avoiding the difficulties encountered in decimation in time FFTs) and that is is easy to implement.

Forman, M. L.↗

NASA NTRS1981

Interpolating for the location of remote sensor data

An interpolation algorithm is presented as a practical alternative to common interpolation and approximation methods when applied to the problem of determining the location of remote sensor data. This algorithm is based upon knowledge of the geometry of the problem and is shown to be inherently more accurate than common interpolation schemes which may be applied to all types of data. A practical location problem is used to demonstrate its accuracy and computational cost.

Puccinelli, E. F.↗

NASA NTRS1986

Image Interpolation With Dedicated Digital Hardware

Algorithm for interpolating two-dimensional image data to change picture-element spacing implemented in dedicated digital hardware for high-speed execution. System interpolates 100 times as fast as generalpurpose computer. Image resampling occurs first along one image axis and then along other, using two interpolation devices implemented in series.

Hartenstein, R.↗

NASA NTRS1986

The algorithms for rational spline interpolation of surfaces

Two algorithms for interpolating surfaces with spline functions containing tension parameters are discussed. Both algorithms are based on the tensor products of univariate rational spline functions. The simpler algorithm uses a single tension parameter for the entire surface. This algorithm is generalized to use separate tension parameters for each rectangular subregion. The new algorithm allows for local control of tension on the interpolating surface. Both algorithms are illustrated and the results are compared with the results of bicubic spline and bilinear interpolation of terrain elevation data.

Schiess, J. R.↗

NASA NTRS1988

A velocity-pressure integrated, mixed interpolation, Galerkin finite element method for high Reynolds number laminar flows

A velocity-pressure integrated, mixed interpolation, Galerkin finite element method for the Navier-Stokes equations is presented. In the method, the velocity variables were interpolated using complete quadratic shape functions and the pressure was interpolated using linear shape functions. For the two dimensional case, the pressure is defined on a triangular element which is contained inside the complete biquadratic element for velocity variables; and for the three dimensional case, the pressure is defined on a tetrahedral element which is again contained inside the complete tri-quadratic element. Thus the pressure is discontinuous across the element boundaries. Example problems considered include: a cavity flow for Reynolds number of 400 through 10,000; a laminar backward facing step flow; and a laminar flow in a square duct of strong curvature. The computational results compared favorable with those of the finite difference methods as well as experimental data available. A finite elememt computer program for incompressible, laminar flows is presented.

Kim, Sang-Wook↗

NASA NTRS1990

Spectral Analysis Of Linear, Shift-Invariant Interpolants

Method of analysis provides quantitative measure of reconstruction and interpolation performances of linear, shift-invariant interpolants. Criterion of performance based upon mean-square error of difference between sampled and reconstructed functions. Applicable to reconstruction algorithms used in processing of signals and images and to types of interpolants used in numerical analysis, computer-aided design, and computer graphics.

Lansing, Donald L.↗

NASA NTRS1989

Digital interpolators for polar format processing

The polar format approach to SAR image formation requires data to be interpolated from a warped grid onto a Cartesian lattice. In general, this requires that data be interpolated between varying sampling rates. In this paper, frequency-domain optimality criteria for polar format interpolators are defined and justified, and an approach to designing the corresponding digital filters is described.

Adams, John W.↗