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DOE OSTI2025

Open Specy 1.0: Automated (Hyper)spectroscopy for Microplastics

Microplastic spectral analysis is one of the most time-consuming processes in studying microplastic pollution, often requiring days per sample. Researchers are transitioning to automated batch and hyperspectral image analysis techniques to enhance efficiency. Open Specy, initially aimed at manual single-spectrum analysis, has now integrated automated methods. This updated version, Open Specy 1.0, introduces several new features, including two algorithms for automated processing (smoothing and particle compression), an extensive library containing over 40,000 open-source Raman and FTIR spectra, and two machine learning classifiers (logistic regression and k medoids) developed from this library. Furthermore, it includes a revamped user interface, an R package, and a benchmark data set for testing future advancements in automated techniques. Researchers evaluated various configurations for hyperspectral smoothing, particle identification, compression, and splitting, to achieve combined recovery rates between 50 and 150% particle counts, identities, and sizes with a coefficient of variation (CV) of less than 40% (the accredited standard). Mean absorbance times the standard deviation provided a consistent particle identification. Hyperspectral smoothing led to a 96% combined recovery rate and reduced variability (CV = 38%) compared to the 86% recovery (CV = 83%) of nonsmoothed controls. Additionally, compressing spectra for particles was significantly faster (>3x) and showed similar accuracy but with reduced variability than processing each pixel individually. Key challenges persist in automating spectral analysis, particularly in refining particle splitting algorithms, and improving identification routines to minimize false positives and negatives. In conclusion, new methods in sample preparation for better stabilization and dispersion of particles could overcome some of these issues.

13 HYDRO ENERGY↗

DOE OSTI2020

Application of the Approximate Bayesian Computation Algorithm to Gamma-Ray Spectroscopy

Radioisotope identification (RIID) algorithms for gamma-ray spectroscopy aim to infer what isotopes are present and in what amounts in test items. RIID algorithms either use all energy channels in the analysis region or only energy channels in and near identified peaks. Because many RIID algorithms rely on locating peaks and estimating each peak’s net area, peak location and peak area estimation algorithms continue to be developed for gamma-ray spectroscopy. This paper shows that approximate Bayesian computation (ABC) can be effective for peak location and area estimation. Algorithms to locate peaks can be applied to raw or smoothed data, and among several smoothing options, the iterative bias reduction algorithm (IBR) is recommended; the use of IBR with ABC is shown to potentially reduce uncertainty in peak location estimation. Extracted peak locations and areas can then be used as summary statistics in a new ABC-based RIID. ABC allows for easy experimentation with candidate summary statistics such as goodness-of-fit scores and peak areas that are extracted from relatively high dimensional gamma spectra with photopeaks (1024 or more energy channels) consisting of count rates versus energy for a large number of gamma energies.

Burr, Tom↗

NASA NTRS2001

Use of a genetic algorithm for the analysis of eye movements from the linear vestibulo-ocular reflex

It is common in vestibular and oculomotor testing to use a single-frequency (sine) or combination of frequencies [sum-of-sines (SOS)] stimulus for head or target motion. The resulting eye movements typically contain a smooth tracking component, which follows the stimulus, in which are interspersed rapid eye movements (saccades or fast phases). The parameters of the smooth tracking--the amplitude and phase of each component frequency--are of interest; many methods have been devised that attempt to identify and remove the fast eye movements from the smooth. We describe a new approach to this problem, tailored to both single-frequency and sum-of-sines stimulation of the human linear vestibulo-ocular reflex. An approximate derivative is used to identify fast movements, which are then omitted from further analysis. The remaining points form a series of smooth tracking segments. A genetic algorithm is used to fit these segments together to form a smooth (but disconnected) wave form, by iteratively removing biases due to the missing fast phases. A genetic algorithm is an iterative optimization procedure; it provides a basis for extending this approach to more complex stimulus-response situations. In the SOS case, the genetic algorithm estimates the amplitude and phase values of the component frequencies as well as removing biases.

Non-NASA Center↗

NASA NTRS1974

Error detection and data smoothing based on local procedures

An algorithm is presented which is able to locate isolated bad points and correct them without contaminating the rest of the good data. This work has been greatly influenced and motivated by what is currently done in the manual loft. It is not within the scope of this work to handle small random errors characteristic of a noisy system, and it is therefore assumed that the bad points are isolated and relatively few when compared with the total number of points. Motivated by the desire to imitate the loftsman a visual experiment was conducted to determine what is considered smooth data. This criterion is used to determine how much the data should be smoothed and to prove that this method produces such data. The method utimately converges to a set of points that lies on the polynomial that interpolates the first and last points; however convergence to such a set is definitely not the purpose of our algorithm. The proof of convergence is necessary to demonstrate that oscillation does not take place and that in a finite number of steps the method produces a set as smooth as desired.

Guerra, V. M.↗

NASA NTRS1990

Formulation of boundary conditions for the multigrid acceleration of the Euler and Navier Stokes equations

An explicit, Multigrid algorithm was written to solve the Euler and Navier-Stokes equations with special consideration given to the coarse mesh boundary conditions. These are formulated in a manner consistent with the interior solution, utilizing forcing terms to prevent coarse-mesh truncation error from affecting the fine-mesh solution. A 4-Stage Hybrid Runge-Kutta Scheme is used to advance the solution in time, and Multigrid convergence is further enhanced by using local time-stepping and implicit residual smoothing. Details of the algorithm are presented along with a description of Jameson's standard Multigrid method and a new approach to formulating the Multigrid equations.

Jentink, Thomas Neil↗

NASA NTRS2022

A Novel Atmospheric Correction Algorithm to Exploit the Diurnal Variability in Hypertemporal Geostationary Observations

This study developed a new atmospheric correction algorithm, GeoNEX-AC, that is independent from the traditional use of spectral band ratios but dedicated to exploiting information from the diurnal variability in the hypertemporal geostationary observations. The algorithm starts by evaluating smooth segments of the diurnal time series of the top-of-atmosphere (TOA) reflectance to identify clear-sky and snow-free observations. It then attempts to retrieve the Ross-Thick–Li-Sparse (RTLS) surface bi-directional reflectance distribution function (BRDF) parameters and the daily mean atmospheric optical depth (AOD) with an atmospheric radiative transfer model (RTM) to optimally simulate the observed diurnal variability in the clear-sky TOA reflectance. Once the initial RTLS parameters are retrieved after the algorithm’s burn-in period, they serve as the prior information to estimate the AOD levels for the following days and update the surface BRDF information with the new clear-sky observations. This process is iterated through the full time span of the observations, skipping only totally cloudy days or when surface snow is detected. We tested the algorithm over various Aerosol Robotic Network (AERONET) sites and the retrieved results well agree with the ground-based measurements. This study demonstrates that the high-frequency diurnal geostationary observations contain unique information that can help to address the atmospheric correction problem from new directions.

atmospheric correction↗

NASA NTRS1990

An adaptive grid algorithm for one-dimensional nonlinear equations

Richards' equation, which models the flow of liquid through unsaturated porous media, is highly nonlinear and difficult to solve. Step gradients in the field variables require the use of fine grids and small time step sizes. The numerical instabilities caused by the nonlinearities often require the use of iterative methods such as Picard or Newton interation. These difficulties result in large CPU requirements in solving Richards equation. With this in mind, adaptive and multigrid methods are investigated for use with nonlinear equations such as Richards' equation. Attention is focused on one-dimensional transient problems. To investigate the use of multigrid and adaptive grid methods, a series of problems are studied. First, a multigrid program is developed and used to solve an ordinary differential equation, demonstrating the efficiency with which low and high frequency errors are smoothed out. The multigrid algorithm and an adaptive grid algorithm is used to solve one-dimensional transient partial differential equations, such as the diffusive and convective-diffusion equations. The performance of these programs are compared to that of the Gauss-Seidel and tridiagonal methods. The adaptive and multigrid schemes outperformed the Gauss-Seidel algorithm, but were not as fast as the tridiagonal method. The adaptive grid scheme solved the problems slightly faster than the multigrid method. To solve nonlinear problems, Picard iterations are introduced into the adaptive grid and tridiagonal methods. Burgers' equation is used as a test problem for the two algorithms. Both methods obtain solutions of comparable accuracy for similar time increments. For the Burgers' equation, the adaptive grid method finds the solution approximately three times faster than the tridiagonal method. Finally, both schemes are used to solve the water content formulation of the Richards' equation. For this problem, the adaptive grid method obtains a more accurate solution in fewer work units and less computation time than required by the tridiagonal method. The performance of the adaptive grid method tends to degrade as the solution process proceeds in time, but still remains faster than the tridiagonal scheme.

Gutierrez, William E.↗

DOE OSTI2022

INITIAL EXPLORATION OF A NOVEL TRANSIENT ARREST SYSTEM INVOLVING FUEL HEATING

A preliminary analysis on a novel accident response system to diminish the severity of supercritical transients was conducted. The novel accident response system, called the instant shock arrest system, involves using electricity to heat the nuclear fuel at the onset of a large accidental reactivity insertion. This system is specifically designed for reactors with metallic fuel, such that the fuel is capable of conducting electricity, and being resistively heated. A reactor dynamics model of the advanced test reactor was created using the point kinetics equations and a linear reactivity feedback model to simulate how the system would effect the maximum fuel temperatures experienced during the transient. Transients with the instant shock arrest system were compare to those without it. It was found that the instant shock arrest system initially heated the fuel more than the unaffected transient but the negative reactivity inserted from such heating was enough to lower the maximum fuel temperature experienced during the transient. After simulating six different accident scenarios with reactivity insertions ranging from 0.5 \$ to 1.3 \$, it was found that the an optimal system response could reduce peak fuel temperatures during the transient by 3.5\% to 5\%. Furthermore, discussion was given on how the optimal system response could be obtained using relatively simple numerical optimization algorithms due to the smoothness of the optimization problem.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1972

A geometrical interpretation of the 2n-th central difference

Many algorithms used for data smoothing, data classification and error detection require the calculation of the distance from a point to the polynomial interpolating its 2n neighbors (n on each side). This computation, if performed naively, would require the solution of a system of equations and could create numerical problems. This note shows that if the data is equally spaced, then this calculation can be performed using a simple recursion formula.

Tapia, R. A.↗

NASA NTRS1980

Equations for determining aircraft motions for accident data

Procedures for determining a comprehensive accident scenario from a limited data set are reported. The analysis techniques accept and process data from either an Air Traffic Control radar tracking system or a foil flight data recorder. Local meteorological information at the time of the accident and aircraft performance data are also utilized. Equations for the desired aircraft motions and forces are given in terms of elements of the measurement set and certain of their time derivatives. The principal assumption made is that aircraft side force and side-slip angle are negligible. An estimation procedure is outlined for use with each data source. For the foil case, a discussion of exploiting measurement redundancy is given. Since either formulation requires estimates of measurement time derivatives, an algorithm for least squares smoothing is provided.

Bach, R. E., Jr.↗

NASA NTRS1982

Terminal area automatic navigation, guidance, and control research using the Microwave Landing System (MLS). Part 3: A comparison of waypoint guidance algorithms for RNAV/MLS transition

The results of an investigation carried out for the Langley Research Center Terminal Configured Vehicle Program are presented. The investigation generated and compared three path update algorithms designed to provide smooth transition for an aircraft guidance system from DME, VORTAC, and barometric navaids to the more precise MLS by modifying the desired 3-D flight path. The first, called the Zero Cross Track, eliminates the discontinuity in cross track and altitude error by designating the first valid MLS aircraft position as the desired first waypoint, while retaining all subsequent waypoints. The discontinuity in track angle is left unaltered. The second, called the Tangent Path also eliminates the discontinuity in cross track and altitude and choose a new desired heading to be tangent to the next oncoming circular arc turn. The third, called the Continued Track eliminates the discontinuity in cross track, altitude and track angle by accepting the current MLS position and track angle as the desired ones and recomputes the location of the next waypoint. A method is presented for providing a waypoint guidance path reconstruction which treats turns of less than, and greater than, 180 degrees in a uniform manner to construct the desired path.

Pines, S.↗

NASA NTRS1997

Dynamic Forms: Application to Aircraft Guidance - Part 2

The paper describes a method for guiding a dynamic system through a given set of points. The paradigm is a fully automatic aircraft subject to air traffic control (ATC). The ATC provides a sequence of waypoints through which the aircraft trajectory must pass. The waypoints typically specify time, position, and velocity. The guidance problem is to synthesize a system state trajectory that satisfies both the ATC and aircraft constraints. Complications arise because the controlled process is multidimensional, multiaxis, nonlinear, highly coupled, and the state space is not flat. In addition, there is a multitude of operating modes, which may number in the hundreds. Each such mode defines a distinct state space model of the process by specifying the state space coordinatization, the partition of the controls into active controls and configuration controls, and the output map. Furthermore, mode transitions are required to be smooth. The proposed guidance algorithm is based on the inversion of the pure feedback approximation, followed by correction for the effects of zero dynamics. The paper describes the structure and major modules of the algorithm, and the performance is illustrated by several example aircraft maneuvers.

Meyer, George↗

NASA NTRS1999

Brain segmentation and the generation of cortical surfaces

This paper describes methods for white matter segmentation in brain images and the generation of cortical surfaces from the segmentations. We have developed a system that allows a user to start with a brain volume, obtained by modalities such as MRI or cryosection, and constructs a complete digital representation of the cortical surface. The methodology consists of three basic components: local parametric modeling and Bayesian segmentation; surface generation and local quadratic coordinate fitting; and surface editing. Segmentations are computed by parametrically fitting known density functions to the histogram of the image using the expectation maximization algorithm [DLR77]. The parametric fits are obtained locally rather than globally over the whole volume to overcome local variations in gray levels. To represent the boundary of the gray and white matter we use triangulated meshes generated using isosurface generation algorithms [GH95]. A complete system of local parametric quadratic charts [JWM+95] is superimposed on the triangulated graph to facilitate smoothing and geodesic curve tracking. Algorithms for surface editing include extraction of the largest closed surface. Results for several macaque brains are presented comparing automated and hand surface generation. Copyright 1999 Academic Press.

NASA Discipline Neuroscience↗

DOE OSTI2022

Initial exploration of a novel transient arrest system involving fuel heating

A preliminary analysis on a novel accident response system to diminish the severity of super- critical transients was conducted. The novel accident response system, called the instant shock arrest system, involves using electricity to heat the nuclear fuel at the onset of a large accidental reactivity insertion. This system is specifically designed for reactors with metallic fuel, such that the fuel is capable of conducting electricity, and being resistively heated. A reactor dynamics model of the advanced test reactor was created using the point kinetics equations and a linear reactivity feedback model to simulate how the system would effect the maximum fuel temperatures experienced during the transient. Transients with the instant shock arrest system were compared to those without it. It was found that the instant shock arrest system initially heated the fuel more than the unaffected transient but the negative reactivity inserted from such heating was enough to lower the maximum fuel temperature experienced during the transient. After simulating six different accident scenarios with reactivity insertions ranging from 0.5 to 1.3 dollar, it was found that an optimal system response could reduce peak fuel temperatures during the transient by 3.5% to 5%. Furthermore, discussion was given on how the optimal system response could be obtained using relatively simple numerical optimization algorithms due to the smoothness of the optimization problem. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

INITIAL EXPLORATION OF A NOVEL TRANSIENT ARREST SYSTEM INVOLVING FUEL HEATING (Presentation)

A preliminary analysis on a novel accident response system to diminish the severity of supercritical transients was conducted. The novel accident response system, called the instant shock arrest system, involves using electricity to heat the nuclear fuel at the onset of a large accidental reactivity insertion. This system is specifically designed for reactors with metallic fuel, such that the fuel is capable of conducting electricity, and being resistively heated. A reactor dynamics model of the advanced test reactor was created using the point kinetics equations and a linear reactivity feedback model to simulate how the system would effect the maximum fuel temperatures experienced during the transient. Transients with the instant shock arrest system were compare to those without it. It was found that the instant shock arrest system initially heated the fuel more than the unaffected transient but the negative reactivity inserted from such heating was enough to lower the maximum fuel temperature experienced during the transient. After simulating six different accident scenarios with reactivity insertions ranging from 0.5 \$ to 1.3 \$, it was found that the an optimal system response could reduce peak fuel temperatures during the transient by 3.5% to 5%. Furthermore, discussion was given on how the optimal system response could be obtained using relatively simple numerical optimization algorithms due to the smoothness of the optimization problem.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

MFANS 2024 - Formally Proving Characteristics of Cyber-Physical Systems

Cyber-physical systems (CPS) are engineered systems that rely on the smooth integration of computational algorithms and physical elements. This integration presents new challenges for verifying that systems will behave as expected. The goal of this presentation is to present current challenges and potential solutions for the formal verification of cyber-physical systems. For cyber systems, formal methods refer to systematically rigorous mathematical techniques employed in the specification, development, analysis, and verification of both software and hardware systems. Recent advancements in computer science have yielded sophisticated tools specifically designed to address challenges associated with formal methods in complex systems. These tools leverage various foundational concepts such as logic, formal languages, program semantics, type systems, type theory, and automata theory. A notable achievement in the application of formal methods is the seL4 microkernel, claimed to be the first general-purpose operating-system kernel to be verified. Its proof implies the absence of bugs and guarantees that the kernel meets specifications. For physical systems, dynamic and control theory has a history of using rigorous analytic techniques to prove functional correctness. Lyapunov, optimal, classical, modern, and robust control theories all provide rigorous mathematical methods both to analyze system performance and to design controller that can be guaranteed to meet certain objectives. Recent computational techniques like level set theory and reachability analysis provide assertions that a system's state will avoid unsafe regions. Even though success has been independently achieved for cyber systems and physical systems, the integration of such systems creates new challenges. In particular, there is an obvious discrepancy between finite-state machines and infinite-state systems, resulting in different approaches for modeling and analyzing these system. While it is possible to simulate hybrid systems, this provides only a demonstration of a performance and not proof. For hybrid systems, current formal methods and system analysis approaches typically require a workarounds to work on hybrid systems like CPS. This paper will outline the state of the art and limits of current practice for formally verifying CPS and will identify possible research directions that require attention.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1989

Multigrid solution of the Navier-Stokes equations on triangular meshes

A Navier-Stokes algorithm for use on unstructured triangular meshes is presented. Spatial discretization of the governing equations is achieved using a finite element Galerkin approximation, which can be shown to be equivalent to a finite volume approximation for regular equilateral triangular meshes. Integration steady-state is performed using a multistage time-stepping scheme, and convergence is accelerated by means of implicit residual smoothing and an unstructured multigrid algorithm. Directional scaling of the artificial dissipation and the implicit residual smoothing operator is achieved for unstructured meshes by considering local mesh stretching vectors at each point. The accuracy of the scheme for highly stretched triangular meshes is validated by comparing computed flat-plate laminar boundary layer results with the well known similarity solution, and by comparing laminar airfoil results with those obtained from various well-established structured quadrilateral-mesh codes. The convergence efficiency of the present method is also shown to be competitive with those demonstrated by structured quadrilateral-mesh algorithms.

Mavriplis, Dimitri J.↗

NASA NTRS1990

Multigrid solution of the Navier-Stokes equations on triangular meshes

Mavriplis, D. J.↗