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All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Schwarz Methods: To Symmetrize or not to Symmetrize

A preconditioning theory for Schwarz methods is presented. The theory establishes sufficient conditions for multiplicative and additive Schwarz algorithms to yield self-adjoint positive definite preconditioners. It allows for the analysis and use of non-variational and non-convergent linear methods as preconditioners for conjugate gradient methods, and it is applied to domain decomposition and multigrid. This paper illustrates why symmetrizing may be a bad idea for linear methods. Numerical examples are presented for a test problem.

Holst, Michael↗
NASA NTRS2020

Weak Spectral Features on (101995) Bennu from the OSIRIS-REx Visible and InfraRed Spectrometer

Context. The NASA Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer (OSIRIS-REx) mission has obtained thousands of spectra of asteroid (101955) Bennu with the OSIRIS-REx Visible and InfraRed Spectrometer (OVIRS). Aims. We present a spectral search for minor absorption bands and determine compositional variations on the surface of Bennu. Methods. Reflectance spectra with low and high spatial resolutions were analyzed for evidence of weak absorption bands. Spectra were also divided by a global average spectrum to isolate unique spectral features, and variations in the strongest band depths were mapped on a surface shape model. The global visible to near-IR spectrum of Bennu shows evidence of several weak absorption bands with depths of a few percent. Results. Several observed bands are consistent with phyllosilicates, and their distribution correlates with the stronger 2.74-μm hydration band. A 0.55-μm band is consistent with iron and is deepest in the spectrally reddest areas on Bennu. The presence of hydrated phyllosilicates and iron oxides indicates substantial aqueous alteration in Bennu’s past. Conclusions. Bennu’s spectra are not identical to a limited set of carbonaceous chondrite spectra, possibly due to compositional properties and spatial scale differences; however, returned samples should contain a mixture of common chondrite materials.

OSIRIS-REx↗
DOE OSTI2020

Development of Methods for In-line Monitoring of Yield Stress During the Transfer of Radioactive Waste - 20435

Radioactive waste slurries at the Savannah River Site (SRS) and Hanford often behave as non-Newtonian fluids with a yield stress. The yield stress increases the size of equipment needed to transport or mix these slurries and can increase the risk of process upsets. This property is often measured by collection of samples and transportation to a laboratory, which can increase the risk of personnel exposure and even change the rheology. In addition, slurry rheology has been observed to change with time. Real-time in-line monitoring (RTIM) of rheological properties of slurries can have substantial benefits to critical processes which are currently in operation or will be part of future plans in Department of Energy (DOE) complex processes. The need for an appropriate RTIM technology that can potentially minimize or eliminate numerous sampling operations was recently identified. This research at Florida International University focuses on addressing the need for a reliable RTIM technology at US Department of Energy sites. The objective of this work is to investigate and develop appropriate and reliable technologies that can perform accurate and easy measurements of yield stress with minimal changes to the flow conditions at US Department of Energy sites. Use of ultrasound in longitudinal and shear modes was considered as a method for monitoring of yield stress variations with no disturbance to the flow. Measurement of shear wave velocity (in shear mode) and monitoring of sound velocity variations with start of flow from rest (longitudinal mode) are the underlying principles. Measurement of pressure loss and liquid rise (due to static differential pressure) during flow of slurries were two other methods that were considered and investigated. In addition, analysis of stability depth of a penetrometer in slurry medium (penetrometer method) revealed a potential suitability. This paper presents efforts associated with investigation of different methods mentioned earlier for kaolin-water mixtures at different concentrations. Theoretical analysis showed that all methods under investigation were capable of monitoring yield stress in a desirable range of 0 to 70 pascal. A bench scale test setup was constructed for investigation of pressure loss and liquid rise methods. Simulants at different concentrations were created for initial testing campaigns. For ultrasonic testing, effects of yield stress on sound propagation speed in longitudinal and shear modes were investigated for simulants placed inside PVC pipes. Parameters such as simulant concentration and pipe diameter were varied to find optimal values. It was found that spacing (or medium thickness) of 1/8 inch or less was necessary to observe echoes with sufficient strength. In addition, a significant effect of yield stress on sound propagation velocity was observed. For the liquid rise method, kaolin-water simulant at 1.17 specific gravity was pumped through a 1/4 inch pipe and liquid height was measured in a vertical riser branching off a three-way connection. Static gauge pressure was varied within [0.3 to 1.1] psi range by increase of pumping pressure and flow. Results showed consistent yield stress data within 10% deviation from values reported by a rheometer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1985

Existence and stability, and discrete BB and rank conditions, for general mixed-hybrid finite elements in elasticity

In this paper, all possible forms of mixed-hybrid finite element methods that are based on multi-field variational principles are examined as to the conditions for existence, stability, and uniqueness of their solutions. The reasons as to why certain 'simplified hybrid-mixed methods' in general, and the so-called 'simplified hybrid-displacement method' in particular (based on the so-called simplified variational principles), become unstable, are discussed. A comprehensive discussion of the 'discrete' BB-conditions, and the rank conditions, of the matrices arising in mixed-hybrid methods, is given. Some recent studies aimed at the assurance of such rank conditions, and the related problem of the avoidance of spurious kinematic modes, are presented.

Xue, W.-M.↗
NASA NTRS2024

Leveraging Multi-Primary PS-InSAR Configurations for the Robust Estimation of Coastal Subsidence

InSAR is a key technique used to constrain contributions of diverse processes to coastal subsidence, also known as vertical land motion (VLM). However, coastal environments can pose major challenges for InSAR due to natural disturbances that degrade interferogram quality. We describe a new multi-primary pairing strategy for persistent scatterer InSAR (PS-InSAR) to estimate subsidence in challenging coastal environments. Our method retains only consistent PS candidates across multiprimary substacks and solves for redundant velocity observations using SVD-based inversion, similar to the conventional small baseline subset (SBAS) method. Through simulations and a case study comparing with single-primary PS-InSAR and conventional SBAS techniques, we show that our pairing strategy reduces temporal and spatial uncertainty in subsidence estimates in the presence of strong but temporary decorrelation loss, even with increased distance from the reference point. Moreover, our method visibly dampens time-series variation and decreases standard error in our time series fit by nearly 2x in our case study. Thus, we find that implementing a multi-primary PS-InSAR configuration is a simple method of increasing the robustness of VLM estimates in challenging coastal environments.

Persistent scatterer InSAR↗
DOE OSTI2022

Ultrasonic Testing of Mechanical Changes in a Water-Filled Pipe with Multi-Mode and Broadband Signals and Two-Level Compensation

Ultrasonic testing (UT) has been widely used for the Nondestructive Evaluation (NDE) of pipes due to its many favorable characteristics. However, one of the main challenges in the general use of UT for real-world pipelines is the sensitivity of this method to environmental and operational condition changes. This paper proposes a new UT method with enhanced compensation for environmental effects and operational condition changes. In particular, the effectiveness of the new method is tested in the presence of temperature variations, and changes in water flow rate inside a stainless-steel pipe. The proposed UT method uses multi-mode and broadband guided ultrasonic waves in the pipe walls, excited and received by single-element ultrasonic sensors that are spatially separated, forming a measurement zone between any pair of such transmit and receive sensors. Amplitude changes, time shifts, and frequency content variations in the ultrasonic signal due to temperature changes and water flow are evaluated and compensated for reliable UT of mechanical changes in the pipe. It is observed that spurious effects of water flow on ultrasonic response, if not properly compensated, can dominate over effects due to actual mechanical changes, but such liquid-boundary effects can be compensated effectively by the proposed time- and frequency-filtering method.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Randomized Preconditioned Solvers for Strong Constraint 4D-Var Data Assimilation

The Strong Constraint 4D Variational (SC-4DVAR) data assimilation method is widely used in climate and weather applications. SC-4DVAR involves solving a minimization problem to compute the maximum a posteriori estimate, which we tackle using the Gauss-Newton method. The computation of the descent direction is expensive since it involves the solution of a large-scale and potentially ill-conditioned linear system, solved using the preconditioned conjugate gradient (PCG) method. Here, to address this cost, we efficiently construct scalable preconditioners using three different randomization techniques, which all rely on a certain low-rank structure involving the Gauss-Newton Hessian. The proposed techniques come with theoretical guarantees on the condition number, and at the same time, are amenable to parallelization. We also develop an adaptive approach to estimate the sketch size and choose between the reuse or recomputation of the preconditioner. We demonstrate the performance and effectiveness of our methodology on two representative model problems—the Burgers and barotropic vorticity equation—showing a drastic reduction in both the number of PCG iterations and the number of Gauss-Newton Hessian products after including the preconditioner construction cost.

Gauss-Newton↗
NASA NTRS1973

Machine boundary finding and sample classification of remotely sensed agricultural data

A method based on the use of spectral variations in combination with spatial variations is developed for automatic boundary finding and sample classification of remotely sensed multispectral data. Preliminary applications of the method to agricultural data show significant improvements in accuracy as compared to the use of spectral data alone.

Gupta, J. N.↗
NASA NTRS1998

A Multi-Instrument Approach for Characterizing the Vertical Structure of Aerosol Properties: Case Studies in the Pacific Basin Troposphere

During February/March 1994, a series of aircraft-based aerosol measurements were carried out in the Pacific Basin troposphere using a differential absorption lidar system deployed by NASA Langley, and optical spectrometer probes and a wire-impactor system operated by NASA Ames. A modified Klett inversion algorithm was applied to extract altitude profiles of aerosol backscattering from the IR lidar signal. The algorithm that we have designed for this purpose utilizes the in situ aerosol measurements to normalize the lidar profile at the aircraft altitude and to supply the lidar ratio as a function of height. The lidar-derived aerosol backscattering coefficients were then compared to the backscattering coefficients calculated from the in situ measurements. During several local aircraft descents, we found good agreement between the remote lidar and in situ results for the absolute value of the aerosol backscattering coefficient and its altitude variation only when we allowed for several layers with different aerosol refractive indices. The agreement validates our lidar calibration method and provides an indication of the variation in aerosol refractive index as a function of altitude. Two of the three case studies performed in this paper reveal layers of anthropogenic aerosols transported long distances into the Pacific Basin troposphere. A third case implies the existence of a layer of dustlike aerosol particles in the lower troposphere, most likely of Asian origin.

Redemann, J.↗
NASA NTRS1982

Climatic influence of background and volcanic stratosphere aerosol models

A simple modelization of the earth atmosphere system including tropospheric and stratospheric aerosols has been derived and tested. Analytical expressions are obtained for the albedo variation due to a thin stratospheric aerosol layer. Also outlined are the physical procedures and the respective influence of the main parameters: aerosol optical thickness, single scattering albedo and asymmetry factor, and sublayer albedo. The method is applied to compute the variation of the zonal and planetary albedos due to a stratospheric layer of background H2SO4 particles and of volcanic ash.

Deschamps, P. Y.↗
NASA NTRS1989

Performance and test section flow characteristics of the National Full-Scale Aerodynamics Complex 40- by 80-foot wind tunnel

Results from the performance and test section flow calibration of the 40- by 80-Foot Wind Tunnel are presented. A flow calibration test was conducted in May and June 1987. The goal of the flow calibration test was to determine detailed spatial variations in the 40- by 80-ft test section flow quality throughout the tunnel operational envelope. Data were collected for test section speeds up to 300 knots and for air exchange rates of 0, 5, and 10 percent. The tunnel performance was also calibrated during the detailed mapping of the test section flow field. Experimental results presented indicate that the flow quality in the test section, with the exception of temperature, is relatively insensitive to the level of dynamic pressure and the air exchange rate. The dynamic pressure variation in the test section is within + or - 0.5 deg at all test section velocities. Cross-stream temperature gradients in the test section caused by the air exchange system were documented, and a correction method was established. Streamwise static pressure variation on the centerline is about 1 percent of test section dynamic pressure over 30 ft of the test section length.

Zell, Peter T.↗
DOE OSTI2023

A parallel, distributed memory implementation of the adaptive sampling configuration interaction method

The many-body simulation of quantum systems is an active field of research that involves several different methods targeting various computing platforms. Many methods commonly employed, particularly coupled cluster methods, have been adapted to leverage the latest advances in modern high-performance computing. Selected configuration interaction (sCI) methods have seen extensive usage and development in recent years. However, the development of sCI methods targeting massively parallel resources has been explored only in a few research works. Here, we present a parallel, distributed memory implementation of the adaptive sampling configuration interaction approach (ASCI) for sCI. In particular, we will address the key concerns pertaining to the parallelization of the determinant search and selection, Hamiltonian formation, and the variational eigenvalue calculation for the ASCI method. Load balancing in the search step is achieved through the application of memory-efficient determinant constraints originally developed for the ASCI-PT2 method. The presented benchmarks demonstrate near optimal speedup for ASCI calculations of Cr 2 (24e, 30o) with 10 6 , 10 7 , and 3 × 10 8 variational determinants on up to 16 384 CPUs. Importantly, to the best of the authors’ knowledge, this is the largest variational ASCI calculation to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Easy_PERT: a Python tool for writing PERT cards and parsing PERT card results [Slides]

This presentation begins by providing an overview of the PERT card. The PERT card uses differential operator method to compute first- and second-order tally variations due to density, composition, and reaction cross-sections. It is possible to have multiple PERT cards in one MCNP input deck to study tally variations for several sets of nuclides, reactions, and energy ranges. Furthermore, the METHOD option tells MCNP to calculate either the perturbed tally (METHOD=-1, -2, -3) or the change in the unperturbed tally (METHOD=1, 2, 3). In summation, a powerful use-case for the MCNP code PERT card is that it facilitates calculating tally sensitivities to nuclear data. Writing PERT card entries and parsing output MCTAL files is tedious and error prone. however, Easy_PERT makes use of existing tools (Faust and MCNPTools) to handle writing PERT card entries and parsing the output MCTAL files. The PERT card is early in the development process and planned upcoming capabilities include calculating sensitivities and combining MCTAL files from separate runs into one JSON file.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1978

An efficient, direct finite difference method for computing sound propagation in arbitrarily shaped two-dimensional and axisymmetric ducts without flow

An efficient, direct finite difference method is presented for computing sound propagation in non-stepped two-dimensional and axisymmetric ducts of arbitrarily varying cross section without mean flow. The method is not restricted by axial variation of acoustic impedance of the duct wall linings. The non-uniform two-dimensional or axisymmetric duct is conformally mapped numerically into a rectangular or cylindrical computational domain using a new procedure based on a method of fast direct solution of the Cauchy-Riemann equations. The resulting Helmholtz equation in the computational domain is separable. The solution to the governing equation and boundary conditions is expressed as a linear combination of fundamental solutions. The fundamental solutions are computed only once for each duct shape by means of the fast direct cyclic reduction method for the discrete solution of separable elliptic equations. Numerical results for several examples are presented to show the applicability and efficiency of the method.

Chakravarthy, S.↗
DOE OSTI2024

On Properties of Adjoint Systems for Evolutionary PDEs

We investigate the geometric structure of adjoint systems associated with evolutionary partial differential equations at the fully continuous, semi-discrete, and fully discrete levels and the relations between these levels. We show that the adjoint system associated with an evolutionary partial differential equation has an infinite-dimensional Hamiltonian structure, which is useful for connecting the fully continuous, semi-discrete, and fully discrete levels. We subsequently address the question of discretize-then-optimize versus optimize-then-discrete for both semi-discretization and time integration, by characterizing the commutativity of discretize-then-optimize methods versus optimize-then-discretize methods uniquely in terms of an adjoint-variational quadratic conservation law. For Galerkin semi-discretizations and one-step time integration methods in particular, we explicitly construct these commuting methods by using structure-preserving discretization techniques.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Geostationary satellite position determination for common-view two-way time transfer measurements

In common-view two-way time transfer, each earth station receives an unwanted return signal from its own transmission as well as the desired signal from the other earth station. National Institute of Standards and Technology (NIST), the National Research Council (NRC), and the U.S. Naval Observatory (USNO) have been cooperating in a three-corner common-view two-way time transfer experiment. Some systematic effects are known to depend on the position of the satellite (Sagnac effect and the cross-correlation pulling of the pseudo-random codes). A method is presented for deriving accurate satellite ranges from each of three stations doing common-view two-way satellite time transfer measurements, when one (and only one) station also takes ranging measurements on its 'unwanted return signal' for a brief period. The method is applied to determine the variations in position of the satellite used over the course of the NIST/NRC/USNO SBS-3 experiment, with ranging data taken at NRC, where no additional hardware was required to automate the process. The fit and extrapolation which are employed in this method have an estimated precision of 2 m. If the delays of SBS-3 satellite KU band transponder and earth station equipment were measured accurately as well as the tropospheric refractions were well modeled and corrected, we would expect a ranging accuracy of 2.5 m and satellite positioning accuracy would be 200 m (latitude) 50 m (longitude) and 20 m (height above ellipsoid).

Zhuang, Qixiang↗
NASA NTRS1989

Vector potential methods

Vector potential and related methods, for the simulation of both inviscid and viscous flows over aerodynamic configurations, are briefly reviewed. The advantages and disadvantages of several formulations are discussed and alternate strategies are recommended. Scalar potential, modified potential, alternate formulations of Euler equations, least-squares formulation, variational principles, iterative techniques and related methods, and viscous flow simulation are discussed.

Hafez, M.↗
DOE OSTI2023

Combining variational autoencoders and physical bias for improved microscopy data analysis *

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as electron energy loss spectroscopy or 4D scanning transmission electron microscope, that contain information on a wide range of structural, physical, and chemical properties of materials. To extract valuable insights from these data, it is crucial to identify physically separate regions in the data, such as phases, ferroic variants, and boundaries between them. In order to derive an easily interpretable feature analysis, combining with well-defined boundaries in a principled and unsupervised manner, here we present a physics augmented machine learning method which combines the capability of variational autoencoders to disentangle factors of variability within the data and the physics driven loss function that seeks to minimize the total length of the discontinuities in images corresponding to latent representations. Our method is applied to various materials, including NiO-LSMO, BiFeO 3 , and graphene. The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data. The customized codes of the required functions and classes to develop phyVAE is available at https://github.com/arpanbiswas52/phy-VAE.

97 MATHEMATICS AND COMPUTING↗