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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Resilience and fault tolerance in high-performance computing for numerical weather and climate prediction

Progress in numerical weather and climate prediction accuracy greatly depends on the growth of the available computing power. As the number of cores in top computing facilities pushes into the millions, increased average frequency of hardware and software failures forces users to review their algorithms and systems in order to protect simulations from breakdown. This report surveys hardware, application-level and algorithm-level resilience approaches of particular relevance to time-critical numerical weather and climate prediction systems. A selection of applicable existing strategies is analysed, featuring interpolation-restart and compressed checkpointing for the numerical schemes, in-memory checkpointing, user-level failure mitigation and backup-based methods for the systems. Numerical examples showcase the performance of the techniques in addressing faults, with particular emphasis on iterative solvers for linear systems, a staple of atmospheric fluid flow solvers. The potential impact of these strategies is discussed in relation to current development of numerical weather prediction algorithms and systems towards the exascale. Trade-offs between performance, efficiency and effectiveness of resiliency strategies are analysed and some recommendations outlined for future developments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Report on local data recovery approaches suitable for weather and climate prediction (Deliverable 1.3) (V.1.0)

Numerical weather and climate prediction rates as one of the scientific applications whose accuracy improvements greatly depend on the growth of the available computing power. As the number of cores in top computing facilities pushes into the millions, increasing average frequency of hardware and software failures forces users to review their algorithms and systems in order to protect simulations from breakdown. This report surveys approaches for fault-tolerance in numerical algorithms and system resilience in parallel simulations from the perspective of numerical weather and climate prediction systems. A selection of existing strategies is analyzed, featuring interpolation-restart and compressed checkpointing for the numerics, in-memory checkpointing, user-level failure mitigation-based and backup-based methods for the systems. Numerical examples showcase the performance of the techniques in addressing faults, with particular emphasis on iterative solvers for linear systems, a staple of atmospheric fluid flow solvers. The potential impact of these strategies is discussed in relation to current development of numerical weather prediction algorithms and systems towards the exascale. Trade-offs between performance, efficiency and effectiveness of resiliency strategies are analyzed and some recommendations outlined for future developments.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Propagation of high frequency jet noise using geometric acoustics

Spherical directivity of noise radiated from a convecting quadrupole source embedded in an arbitrary spreading jet is obtained by ray-tracing methods of geometrical acoustics. The six propagation equations are solved in their general form in a rectangular coordinate system. The noise directivity in the far field is calculated by applying an iteration scheme that finds the required radiation angles at the source resulting in propagation through a given observer point. Factors influencing the zone of silence are investigated. The caustics of geometrical acoustics and the exact locations where it forms is demonstrated by studying the variation in ray tube area obtained from transport equation. For a ring source convecting along the center-axis of an axisymmetric jet, the polar directivity of the radiated noise is obtained by an integration with respect to azimuthal directivity of compact quadrupole sources distributed on the ring. The Doppler factor is shown to vary slightly from point to point on the ring. Finally the scaling of the directivity pattern with power -3 of Doppler factor is investigated and compared with experimental data.

Khavaran, A.↗

NASA NTRS1993

Propagation of high frequency jet noise using geometric acoustics

Khavaran, A.↗

DOE OSTI2026

Integrated Approach to Ancillary PV Component Reliability Assessment (Final Report)

In this project, we have established a nondestructive, generalized methodology that (1) fuses rich field data with advanced ML for proactive reliability forecasting, (2) dramatically reduces experimental iterations via synthetic dataset generation, and (3) achieves unprecedented regression precision in both anomaly detection and component-level degradation assessment—paving the way for truly predictive maintenance of grid-tied PV inverters under diverse outdoor conditions.

14 SOLAR ENERGY↗

DOE OSTI2024

ParaStell: parametric modeling and neutronics support for stellarator fusion power plants

The three-dimensional variation inherent to stellarator geometries and fusion sources motivates three-dimensional modeling to obtain accurate results from computational modeling in support of design and analysis of first wall, blanket, and shield (FWBS) systems. Manually constructing stellarator fusion power plant geometries in computer-aided design (CAD) and defining the corresponding fusion source can be cumbersome and challenging. The open-source parametric modeling toolset ParaStell has been developed to automate construction of such geometries in low-fidelity. Low-fidelity modeling is useful during the conceptual phase of engineering design as a means of rapidly exploring the design space of a given device. The modeling capability of ParaStell includes in-vessel components and magnets, for any given stellarator configuration, using a parametric definition and plasma equilibrium data. Furthermore, the toolset automates the generation of detailed, tetrahedral neutron source definitions and DAGMC geometries for use in neutronics modeling. ParaStell assists rapid design iteration, parametric study, and design optimization of stellarator fusion cores. As a demonstration of the design iteration capability, the effect of the three-dimensional parameter space on tritium breeding and magnet shielding is investigated, using the WISTELL-D configuration as a design basis. Blanket and shield thicknesses are varied in three dimensions, using the space available between the plasma edge and magnet coils as a constraint. The corresponding effects on tritium breeding ratio and magnet heating are tallied using the open-source Monte Carlo particle transport code OpenMC. The inclusion of additional and higher-fidelity modeling capabilities is planned for ParaStell’s future, as well as its implementation in machine-driven optimization.

Moreno, Connor↗

NASA NTRS1998

Trellises and Trellis-Based Decoding Algorithms for Linear Block Codes

A code trellis is a graphical representation of a code, block or convolutional, in which every path represents a codeword (or a code sequence for a convolutional code). This representation makes it possible to implement Maximum Likelihood Decoding (MLD) of a code with reduced decoding complexity. The most well known trellis-based MLD algorithm is the Viterbi algorithm. The trellis representation was first introduced and used for convolutional codes [23]. This representation, together with the Viterbi decoding algorithm, has resulted in a wide range of applications of convolutional codes for error control in digital communications over the last two decades. There are two major reasons for this inactive period of research in this area. First, most coding theorists at that time believed that block codes did not have simple trellis structure like convolutional codes and maximum likelihood decoding of linear block codes using the Viterbi algorithm was practically impossible, except for very short block codes. Second, since almost all of the linear block codes are constructed algebraically or based on finite geometries, it was the belief of many coding theorists that algebraic decoding was the only way to decode these codes. These two reasons seriously hindered the development of efficient soft-decision decoding methods for linear block codes and their applications to error control in digital communications. This led to a general belief that block codes are inferior to convolutional codes and hence, that they were not useful. Chapter 2 gives a brief review of linear block codes. The goal is to provide the essential background material for the development of trellis structure and trellis-based decoding algorithms for linear block codes in the later chapters. Chapters 3 through 6 present the fundamental concepts, finite-state machine model, state space formulation, basic structural properties, state labeling, construction procedures, complexity, minimality, and sectionalization of trellises. Chapter 7 discusses trellis decomposition and subtrellises for low-weight codewords. Chapter 8 first presents well known methods for constructing long powerful codes from short component codes or component codes of smaller dimensions, and then provides methods for constructing their trellises which include Shannon and Cartesian product techniques. Chapter 9 deals with convolutional codes, puncturing, zero-tail termination and tail-biting.Chapters 10 through 13 present various trellis-based decoding algorithms, old and new. Chapter 10 first discusses the application of the well known Viterbi decoding algorithm to linear block codes, optimum sectionalization of a code trellis to minimize computation complexity, and design issues for IC (integrated circuit) implementation of a Viterbi decoder. Then it presents a new decoding algorithm for convolutional codes, named Differential Trellis Decoding (DTD) algorithm. Chapter 12 presents a suboptimum reliability-based iterative decoding algorithm with a low-weight trellis search for the most likely codeword. This decoding algorithm provides a good trade-off between error performance and decoding complexity. All the decoding algorithms presented in Chapters 10 through 12 are devised to minimize word error probability. Chapter 13 presents decoding algorithms that minimize bit error probability and provide the corresponding soft (reliability) information at the output of the decoder. Decoding algorithms presented are the MAP (maximum a posteriori probability) decoding algorithm and the Soft-Output Viterbi Algorithm (SOVA) algorithm. Finally, the minimization of bit error probability in trellis-based MLD is discussed.

Lin, Shu↗

DOE OSTI2024

IBR Short Circuit Modeling in ETAP

Mohammad Zadeh from ETAP presented various modeling improvements that included the following: • Address convergence issues by using complete Norton Equivalent model including the IBR series filter impedance. • Fault ride through identification within iterations while short circuit results have not been converged and how that may impact final SC results. • Options for FRT curve 1- using a timer to lock FRT logic vs a hysteresis in FRT curve to avoid unwanted toggling. • Report recent co-operation between software vendors (Aspen, CAPE and ETAP) for adopting a C++ interface for IBR blackbox SC modeling. There was lot of interest to know about the model improvements that are being considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Building a DFT+U machine learning interatomic potential for uranium dioxide

Despite uranium dioxide (UO 2 ) being a widely used nuclear fuel, fuel performance models rely extensively on empirical correlations of material behavior, leveraging the historical operating experience of UO 2 . Mechanistic models that consider an atomistic understanding of the processes governing fuel performance (such as fission gas release and creep) will enable a better description of fuel behavior under non-prototypical conditions such as in new reactor concepts or for modified UO 2 fuel compositions. To this end, molecular dynamics simulation is a powerful tool for rapidly predicting physical properties of proposed fuel candidates. However, the reliability of these simulations depends largely on the accuracy of the atomic forces. Traditionally, these forces are computed using either a classical force field (FF) or density functional theory (DFT). While DFT is relatively accurate, the computational cost is burdensome, especially for f-electron elements, such as actinides. By contrast, classical FFs are computationally efficient but are less accurate. For these reasons, we report a new accurate machine learning interatomic potential (MLIP) for UO 2 that provides high-fidelity reproduction of DFT forces at a similar low cost to classical FFs. We employ an active learning approach that autonomously augments the DFT training data set to iteratively refine the MLIP. To further improve the quality of our predictions, we utilize transfer learning to retrain our MLIP to higher-accuracy DFT+U data. We validate our MLIPs by comparing predicted physical properties (e.g., thermal expansion and elastic properties) with those from existing classical FFs and DFT/DFT+U calculations, as well as with experimental data when available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1975

Stepwise Iterative Fourier Transform: The SIFT

A program, designed specifically to study the respective effects of some common data problems on results obtained through stepwise iterative Fourier transformation of synthetic data with known waveform composition, was outlined. Included in this group were the problems of gaps in the data, different time-series lengths, periodic but nonsinusoidal waveforms, and noisy (low signal-to-noise) data. Results on sinusoidal data were also compared with results obtained on narrow band noise with similar characteristics. The findings showed that the analytic procedure under study can reliably reduce data in the nature of (1) sinusoids in noise, (2) asymmetric but periodic waves in noise, and (3) sinusoids in noise with substantial gaps in the data. The program was also able to analyze narrow-band noise well, but with increased interpretational problems. The procedure was shown to be a powerful technique for analysis of periodicities, in comparison with classical spectrum analysis techniques. However, informed use of the stepwise procedure nevertheless requires some background of knowledge concerning characteristics of the biological processes under study.

Benignus, V. A.↗

NASA NTRS1990

Fast secant methods for the iterative solution of large nonsymmetric linear systems

A family of secant methods based on general rank-1 updates was revisited in view of the construction of iterative solvers for large non-Hermitian linear systems. As it turns out, both Broyden's good and bad update techniques play a special role, but should be associated with two different line search principles. For Broyden's bad update technique, a minimum residual principle is natural, thus making it theoretically comparable with a series of well known algorithms like GMRES. Broyden's good update technique, however, is shown to be naturally linked with a minimum next correction principle, which asymptotically mimics a minimum error principle. The two minimization principles differ significantly for sufficiently large system dimension. Numerical experiments on discretized partial differential equations of convection diffusion type in 2-D with integral layers give a first impression of the possible power of the derived good Broyden variant.

Deuflhard, Peter↗

NASA NTRS1992

Thermal mechanical analysis of sprag clutches

Work done at Case Western Reserve University on the Thermal Mechanical analysis of sprag helicopter clutches is reported. The report is presented in two parts. The first part is a description of a test rig for the measurement of the heat generated by high speed sprag clutch assemblies during cyclic torsional loading. The second part describes a finite element modeling procedure for sliding contact. The test rig provides a cyclic torsional load of 756 inch-pounds at 5000 rpm using a four-square arrangement. The sprag clutch test unit was placed between the high speed pinions of the circulating power loop. The test unit was designed to have replaceable inner ad outer races, which contain the instrumentation to monitor the sprag clutch. The torque loading device was chosen to be a water cooled magnetic clutch, which is controlled either manually or through a computer. In the second part, a Generalized Eulerian-Lagrangian formulation for non-linear dynamic problems is developed for solid materials. This formulation is derived from the basic laws and axioms of continuum mechanics. The novel aspect of this method is that we are able to investigate the physics in the spatial region of interest as material flows through it without having to follow material points. A finite element approximation to the governing equations is developed. Iterative Methods for the solution of the discrete finite element equations are explored. A FORTRAN program to implement this formulation is developed and a number of solutions to problems of sliding contact are presented.

Mullen, Robert L.↗

NASA NTRSDate not supplied

ELISA: A Tool for Optimization of Rotor Hover Performance at Low Reynolds Number in the Mars Atmosphere

The Evolutionary aLgorithm for Iterative Studies of Aeromechanics (ELISA) was developed in support of the Rotorcraft Optimization for the Advancement of Mars eXploration (ROAMX) project. ELISA was developed to enable aerodynamic rotor hover optimization for low Reynolds number flows in the Mars atmosphere. The first objective of the algorithm allows for unconventional airfoil parameterization and multi-objective airfoil geometry optimization using OVERFLOW. The Pareto-optimal airfoil sets are converted to a set of Pareto-optimal airfoil decks, providing the lowest drag air foil geometry for each angle of attack, removing the need to arbitrarily select the airfoils to be used in the rotor optimization. The second objective allows for rotor geometry optimization with simultaneous maximization of blade loading and minimization of rotor power using the comprehensive analysis CAMRADII. The result is a Pareto-optimal rotor set, providing the lowest power rotor for each attainable blade loading, and one of the first tools for hover-optimized rotors for high-subsonic low Reynolds number conditions. The airfoil thickness can be modified after the airfoil optimization is complete, allowing for a post-airfoil-optimization adjustment of blade thickness to facilitate conforming to external structural analyses requirements. The relevance of the code is demonstrated with case studies for the ROAMX rotor optimization for Ingenuity-sized single rotors in the Mars atmosphere, a performance study optimizing the chord and twist of Ingenuity’s coaxial rotor resulting in the Sample Recovery Helicopters candidate rotor, and high-subsonic low Reynolds number airfoil optimization providing novel insights for higher-efficiency low Reynolds number airfoil geometries and flow physics.

ELISA↗

DOE OSTI2023

A multiplexed bacterial two-hybrid for rapid characterization of protein–protein interactions and iterative protein design

Protein-protein interactions (PPIs) are crucial for biological functions and have applications ranging from drug design to synthetic cell circuits. Coiled-coils have been used as a model to study the sequence determinants of specificity. However, building well-behaved sets of orthogonal pairs of coiled-coils remains challenging due to inaccurate predictions of orthogonality and difficulties in testing at scale. To address this, we develop the next-generation bacterial two-hybrid (NGB2H) method, which allows for the rapid exploration of interactions of programmed protein libraries in a quantitative and scalable way using next-generation sequencing readout. We design, build, and test large sets of orthogonal synthetic coiled-coils, assayed over 8,000 PPIs, and used the dataset to train a more accurate coiled-coil scoring algorithm (iCipa). After characterizing nearly 18,000 new PPIs, we identify to the best of our knowledge the largest set of orthogonal coiled-coils to date, with fifteen on-target interactions. Our approach provides a powerful tool for the design of orthogonal PPIs.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2013

Motorized Beam Alignment of a Commercial X-ray Diffractometer

X-ray diffraction (XRD) is a powerful analysis method that allows researchers to noninvasively probe the crystalline structure of a material. This includes the ability to determine the crystalline phases present, quantify surface residual stresses, and measure the distribution of crystallographic orientations. The Structures and Materials Division at the NASA Glenn Research Center (GRC) heavily uses the on-site XRD lab to characterize advanced metal alloys, ceramics, and polymers. One of the x-ray diffractometers in the XRD lab (Bruker D8 Discover) uses three different x-ray tubes (Cu, Cr, and Mn) for optimal performance over numerous material types and various experimental techniques. This requires that the tubes be switched out and aligned between experiments. This alignment maximizes the x-ray tube s output through an iterative process involving four set screws. However, the output of the x-ray tube cannot be monitored during the adjustment process due to standard radiation safety engineering controls that prevent exposure to the x-ray beam when the diffractometer doors are open. Therefore, the adjustment process is a very tedious series of blind adjustments, each followed by measurement of the output beam using a PIN diode after the enclosure doors are shut. This process can take up to 4 hr to perform. This technical memorandum documents an in-house project to motorize this alignment process. Unlike a human, motors are not harmed by x-ray radiation of the energy range used in this instrument. Therefore, using motors to adjust the set screws will allow the researcher to monitor the x-ray tube s output while making interactive adjustments from outside the diffractometer. The motorized alignment system consists of four motors, a motor controller, and a hand-held user interface module. Our goal was to reduce the alignment time to less than 30 min. The time available was the 10-week span of the Lewis' Educational and Research Collaborative Internship Project (LERCIP) summer internship program and the budget goal was $1200. In this report, we will describe our motorization design and discuss the results of its implementation.

Van Zandt, Noah R.↗

DOE OSTI2025

PSEC5 Physical Verification

Ultra-Fast timing detectors, having a time resolution of 10pSec or less, are becoming increasingly important for many scientific disciplines, including High Energy Physics, Nuclear Physics, Medical Imaging and more. When developing ultra-fast detectors such as MCPs, LAPPDs, LGADs, SNSPDs, it is necessary to have access to a readout system that is low power, can support many channels and is cost effective. The PSEC5 chip was an application specific integrated circuit (ASIC) developed by the pioneering group of Prof. Henry Frisch at University of Chicago and micro electronic engineers at Fermi National Accelerator Laboratory. Three boards were designed, two to implement the readout system for an LAPPD and one to only characterize the PSEC1 chip. The main goal of the project shifted to setting up a testing environment to focus on the characterization of the chip. My student and I tested and characterized this ASIC using the third chip-on-board printed circuit board. Results show the successful fabrication and operation of some of the key building blocks and lead to the suggestions on modification for the second iteration of the chip.

Rico Aniles, H. D. [Unlisted]↗

NASA NTRS2004

Serial-Turbo-Trellis-Coded Modulation with Rate-1 Inner Code

Serially concatenated turbo codes have been proposed to satisfy requirements for low bit- and word-error rates and for low (in comparison with related previous codes) complexity of coding and decoding algorithms and thus low complexity of coding and decoding circuitry. These codes are applicable to such high-level modulations as octonary phase-shift keying (8PSK) and 16-state quadrature amplitude modulation (16QAM); the signal product obtained by applying one of these codes to one of these modulations is denoted, generally, as serially concatenated trellis-coded modulation (SCTCM). These codes could be particularly beneficial for communication systems that must be designed and operated subject to limitations on bandwidth and power. Some background information is prerequisite to a meaningful summary of this development. Trellis-coded modulation (TCM) is now a well-established technique in digital communications. A turbo code combines binary component codes (which typically include trellis codes) with interleaving. A turbo code of the type that has been studied prior to this development is composed of parallel concatenated convolutional codes (PCCCs) implemented by two or more constituent systematic encoders joined through one or more interleavers. The input information bits feed the first encoder and, after having been scrambled by the interleaver, enter the second encoder. A code word of a parallel concatenated code consists of the input bits to the first encoder followed by the parity check bits of both encoders. The suboptimal iterative decoding structure for such a code is modular, and consists of a set of concatenated decoding modules one for each constituent code connected through an interleaver identical to the one in the encoder side. Each decoder performs weighted soft decoding of the input sequence. PCCCs yield very large coding gains at the cost of a reduction in the data rate and/or an increase in bandwidth.

Divsalar, Dariush↗

NASA NTRS2016

NASA's Space Launch System: A Transformative Capability for Exploration

Currently making rapid progress toward first launch in 2018, NASA's exploration-class Space Launch System (SLS) represents a game-changing new spaceflight capability, enabling mission profiles that are currently impossible. Designed to launch human deep-space missions farther into space than ever before, the initial configuration of SLS will be able to deliver more than 70 metric tons of payload to low Earth orbit (LEO), and will send NASA's new Orion crew vehicle into lunar orbit. Plans call for the rocket to evolve on its second flight, via a new upper stage, to a more powerful configuration capable of lofting 105 t to LEO or comanifesting additional systems with Orion on launches to the lunar vicinity. Ultimately, SLS will evolve to a configuration capable of delivering more than 130 t to LEO. SLS is a foundational asset for NASA's Journey to Mars, and has been recognized by the International Space Exploration Coordination Group as a key element for cooperative missions beyond LEO. In order to enable human deep-space exploration, SLS provides unrivaled mass, volume, and departure energy for payloads, offering numerous benefits for a variety of other missions. For robotic science probes to the outer solar system, for example, SLS can cut transit times to less than half that of currently available vehicles, producing earlier data return, enhancing iterative exploration, and reducing mission cost and risk. In the field of astrophysics, SLS' high payload volume, in the form of payload fairings with a diameter of up to 10 meters, creates the opportunity for launch of large-aperture telescopes providing an unprecedented look at our universe, and offers the ability to conduct crewed servicing missions to observatories stationed at locations beyond low Earth orbit. At the other end of the spectrum, SLS opens access to deep space for low-cost missions in the form of smallsats. The first launch of SLS will deliver beyond LEO 13 6U smallsat payloads, representing multiple disciplines, including three spacecraft competitively chosen through NASA's Centennial Challenges competition. Private organizations have also identified benefits of SLS for unique public-private partnerships. This paper will give an overview of SLS' capabilities and its current status, and discuss the vehicle's potential for human exploration of deep space and other game-changing utilization opportunities.

Robinson, Kimberly F.↗