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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21

On the use of neural networks for energy reconstruction in high-granularity calorimeters

We contrasted the performance of deep neural networks — Convolutional Neural Network (CNN) and Graph Neural Network (GNN) — to current state of the art energy regression methods in a finely 3D-segmented calorimeter simulated by GEANT4. This comparative benchmark gives us some insight to assess the particular latent signals neural network methods exploit to achieve superior resolution. A CNN trained solely on a pure sample of pions achieved substantial improvement in the energy resolution for both single pions and jets over the conventional approaches. It maintained good performance for electron and photon reconstruction. We also used the Graph Neural Network (GNN) with edge convolution to assess the importance of timing information in the shower development for improved energy reconstruction. We implement a simple simulation based correction to the energy sum derived from the fraction of energy deposited in the electromagnetic shower component. This serves as an approximate dual-readout analogue for our benchmark comparison. Although this study does not include the simulation of detector effects, such as electronic noise, the margin of improvement seems robust enough to suggest these benefits will endure in real-world application. We also find reason to infer that the CNN/GNN methods leverage latent features that concur with our current understanding of the physics of calorimeter measurement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Automatic in-orbit assembly of large space structures

The automated assembly of a large number of components required for the on-orbit erection of large tetrahedral space platforms is described. The assembly machine is a huge jig in which a multitude of mechanisms must operated continuously in the thermo vacuum environment of space and under the control of computers programmed to command every step of each motion. The concepts are presented to determine the most reliable solution. Continuous operation of mechanisms in space presents many unresolved problems, with regard to lubrication of unprotected devices, such as chain drives, which must maintain reasonable positioning tolerances.

Jacquemin, G. G.↗

Computation of Coupled Thermal-Fluid Problems in Distributed Memory Environment

The thermal-fluid coupling problems are very important to aerospace and engineering applications. Instead of analyzing heat transfer and fluid flow separately, this study merged two well-accepted engineering solution methods, SINDA for thermal analysis and FDNS for fluid flow simulation, into a unified multi-disciplinary thermal fluid prediction method. A fully conservative patched grid interface algorithm for arbitrary two-dimensional and three-dimensional geometry has been developed. The state-of-the-art parallel computing concept was used to couple SINDA and FDNS for the communication of boundary conditions through PVM (Parallel Virtual Machine) libraries. Therefore, the thermal analysis performed by SINDA and the fluid flow calculated by FDNS are fully coupled to obtain steady state or transient solutions. The natural convection between two thick-walled eccentric tubes was calculated and the predicted results match the experiment data perfectly. A 3-D rocket engine model and a real 3-D SSME geometry were used to test the current model, and the reasonable temperature field was obtained.

Wei, H.↗

Reliability Analysis for Unreliable FSM Computations

Finite State Machines (FSMs) are fundamental in both hardware design and software development. However, the reliability of FSM computations remains poorly understood. This becomes increasingly critical as the technology scaling becomes more aggressive. Existing reliability analyses are mainly designed for generic computations and are unaware of the special error tolerance characteristics in FSM computations. In this work, we introduce RelyFSM – a state-level reliability analysis framework for FSM computations. By qualitatively reasoning about the transition structures in FSM computations, RelyFSM can precisely capture their inherent error tolerance. Basically, RelyFSM takes an FSM specification as input and analyzes its reliability for a specific execution. At the core of the analysis is a set of mathematical models that accurately define the behaviors of unreliable FSM executions. Our evaluation with a spectrum of FSM benchmarks confirms the accuracy and efficiency of RelyFSM in analyzing the reliability of real-world FSM computations.

97 MATHEMATICS AND COMPUTING↗

The universal robot

Our artifacts are getting smarter, and a loose parallel with the evolution of animal intelligence suggests one future course for them. Computerless industrial machinery exhibits the behavioral flexibility of single-celled organisms. Today's best computer-controlled robots are like the simpler invertebrates. A thousand-fold increase in computer power in the next decade should make possible machines with reptile-like sensory and motor competence. Properly configured, such robots could do in the physical world what personal computers now do in the world of data - act on our behalf as literal-minded slaves. Growing computer power over the next half-century will allow this reptile stage to be surpassed, in stages producing robots that learn like mammals, model their world like primates, and eventually reason like humans. Depending on your point of view, humanity will then have produced a worthy successor, or transcended some of its inherited limitations and so transformed itself into something quite new.

Moravec, Hans↗

Microscopic and Macroscopic Characterization of Grain Boundary Energy and Strength in Silicon Carbide via Machine-Learning Techniques

Predicting the properties of grain boundaries poses a challenge because of the complex relationships between structural and chemical attributes both at the atomic and continuum scales. Grain boundary systems are typically characterized by parameters used to classify local atomic arrangements in order to extract features such as grain boundary energy or grain boundary strength. The present work utilizes a combination of high-throughput atomistic simulations, macroscopic and microscopic descriptors, and machine-learning techniques to characterize the energy and strength of silicon carbide grain boundaries. Additionally, a diverse data set of symmetric tilt and twist grain boundaries are described using macroscopic metrics such as misorientation, the alignment of critical low-index planes, and the Schmid factor, but also in terms of microscopic metrics, by quantifying the local atomic structure and chemistry at the interface. These descriptors are used to create random-forest regression models, allowing for their relative importance to the grain boundary energy and decohesion stress to be better understood. Results show that while the energetics of the grain boundary were best described using the microscopic descriptors, the ability of the macroscopic descriptors to reasonably predict grain boundaries with low energy suggests a link between the crystallographic orientation and the resultant atomic structure that forms at the grain boundary within this regime. For grain boundary strength, neither microscopic nor macroscopic descriptors were able to fully capture the response individually. However, when both descriptor sets were utilized, the decohesion stress of the grain boundary could be accurately predicted. These results highlight the importance of considering both macroscopic and microscopic factors when constructing constitutive models for grain boundary systems, which has significant implications for both understanding the fundamental mechanisms at work and the ability to bridge length scales.

36 MATERIALS SCIENCE↗

A Case Study of Multimodal, Multi-institutional Data Management for the Combinatorial Materials Science Community

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require addressing the deficiencies that currently exist in materials informatics, particularly a lack of standardized experimental data management. The challenges associated with experimental data management are especially true for combinatorial materials science, where advancements in automation of experimental workflows have produced datasets that are often too large and too complex for human reasoning. The data management challenge is further compounded by the multimodal and multi-institutional nature of these datasets, as they tend to be distributed across multiple institutions and can vary substantially in format, size, and content. Furthermore, modern materials engineering requires the tuning of not only composition but also of phase and microstructure to elucidate processing–structure–property–performance relationships. To adequately map a materials design space from such datasets, an ideal materials data infrastructure would contain data and metadata describing (i) synthesis and processing conditions, (ii) characterization results, and (iii) property and performance measurements. In this work, we present a case study for the low-barrier development of such a dashboard that enables standardized organization, analysis, and visualization of a large data lake consisting of combinatorial datasets of synthesis and processing conditions, X-ray diffraction patterns, and materials property measurements generated at several different institutions. While this dashboard was developed specifically for data-driven thermoelectric materials discovery, we envision the adaptation of this prototype to other materials applications, and, more ambitiously, future integration into an all-encompassing materials data management infrastructure.

36 MATERIALS SCIENCE↗

Uncertainty quantification of machine learning models to improve streamflow prediction under changing climate and environmental conditions

Machine learning (ML) models, and Long Short-Term Memory (LSTM) networks in particular, have demonstrated remarkable performance in streamflow prediction and are increasingly being used by the hydrological research community. However, most of these applications do not include uncertainty quantification (UQ). ML models are data driven and can suffer from large extrapolation errors when applied to changing climate/environmental conditions. UQ is required to quantify the influence of data noises on model predictions and avoid overconfident projections in extrapolation. In this work, we integrate a novel UQ method, called PI3NN, with LSTM networks for streamflow prediction. PI3NN calculates Prediction Intervals by training 3 Neural Networks. It can precisely quantify the predictive uncertainty caused by the data noise and identify out-of-distribution (OOD) data in a non-stationary condition to avoid overconfident predictions. We apply the PI3NN-LSTM method in the snow-dominant East River Watershed in the western US and in the rain-driven Walker Branch Watershed in the southeastern US. Results indicate that for the prediction data which have similar features as the training data, PI3NN precisely quantifies the predictive uncertainty with the desired confidence level; and for the OOD data where the LSTM network fails to make accurate predictions, PI3NN produces a reasonably large uncertainty indicating that the results are not trustworthy and should avoid overconfidence. PI3NN is computationally efficient, robust in performance, and generalizable to various network structures and data with no distributional assumptions. It can be broadly applied in ML-based hydrological simulations for credible prediction.

54 ENVIRONMENTAL SCIENCES↗

Characterization of Extreme Wave Conditions for Wave Energy Converter Design and Project Risk Assessment

Best practices and international standards for determining n-year return period extreme wave (sea states) conditions allow wave energy converter designers and project developers the option to apply simple univariate or more complex bivariate extreme value analysis methods. The present study compares extreme sea state estimates derived from univariate and bivariate methods and investigates the performance of spectral wave models for predicting extreme sea states at buoy locations within several regional wave climates along the US East and West Coasts. Two common third-generation spectral wave models are evaluated, a WAVEWATCH III® model with a grid resolution of 4 arc-minutes (6–7 km), and a Simulating WAves Nearshore model, with a coastal resolution of 200–300 m. Both models are used to generate multi-year hindcasts, from which extreme sea state statistics used for wave conditions characterization can be derived and compared to those based on in-situ observations at National Data Buoy Center stations. Comparison of results using different univariate and bivariate methods from the same data source indicates reasonable agreement on average. Discrepancies are predominantly random. Large discrepancies are common and increase with return period. There is a systematic underbias for extreme significant wave heights derived from model hindcasts compared to those derived from buoy measurements. This underbias is dependent on model spatial resolution. However, simple linear corrections can effectively compensate for this bias. A similar approach is not possible for correcting model-derived environmental contours, but other methods, e.g., machine learning, should be explored.

16 TIDAL AND WAVE POWER↗

Deriving Safety Cases from Automatically Constructed Proofs

Formal proofs provide detailed justification for the validity of claims and are widely used in formal software development methods. However, they are often complex and difficult to understand, because the formalism in which they are constructed and encoded is usually machine-oriented, and they may also be based on assumptions that are not justified. This causes concerns about the trustworthiness of using formal proofs as arguments in safety-critical applications. Here, we present an approach to develop safety cases that correspond to formal proofs found by automated theorem provers and reveal the underlying argumentation structure and top-level assumptions. We concentrate on natural deduction style proofs, which are closer to human reasoning than resolution proofs, and show how to construct the safety cases by covering the natural deduction proof tree with corresponding safety case fragments. We also abstract away logical book-keeping steps, which reduces the size of the constructed safety cases. We show how the approach can be applied to the proofs found by the Muscadet prover.

Basir, Nurlida↗

Using an Explainable Machine Learning Approach to Characterize Earth System Model Errors: Application of SHAP Analysis to Modeling Lightning Flash Occurrence

Abstract Computational models of the Earth System are critical tools for modern scientific inquiry. Efforts toward evaluating and improving errors in representations of physical and chemical processes in these large computational systems are commonly stymied by highly nonlinear and complex error behavior. Recent work has shown that these errors can be effectively predicted using modern Artificial Intelligence (A.I.) techniques. In this work, we go beyond these previous studies to apply an explainable A.I. technique to not only predict model errors but also move toward understanding the underlying reasons for successful error prediction. We use XGBoost classification trees and SHapley Additive exPlanations analysis to explore the errors in the prediction of lightning occurrence in the NASA Goddard Earth Observing System model, a widely used Earth System Model. This explainable error prediction system can effectively predict the model error and indicates that the errors are strongly related to convective processes and the characteristics of the land surface.

54 ENVIRONMENTAL SCIENCES↗

FY23 ION Based Approaches to Address Labor and Knowledge Retention

This study will seek to outline the current problem facing the nuclear industry related to staffing, training, and retaining the necessary workforce for long-term sustainability. A review of published reports and knowledge gained by working in the nuclear energy sector will form the basis for this scoping study. This study will not seek to draw any conclusions regarding the underlying causes of these personnel issues but will attempt to ask questions and help outline future research. The Integrated Operations for Nuclear business model provides opportunities to partially mitigate some of the current issues facing staffing the nuclear fleet. Upgrading safety and control systems from analog to digital as advocated by the Integrated Operations for Nuclear process allows the nuclear facility to compete for the best and brightest candidates and offers them a broad and sustainable career path where their skills can be valued and utilized in the broader industrial sectors. This study will seek to identify the primary reasons that the nuclear industry is facing this labor crisis and seek to identify possible solutions that will be fully evaluated in future research.

42 ENGINEERING↗

Applying AI/ML Techniques to U.S. Nuclear Operating Experience Program

Idaho National Laboratory (INL) has provided technical assistance to the U.S. Nuclear Regulatory Commission (NRC) in reliability and risk analysis including the operating experience (OpE) program since the 1980s. The U.S. nuclear OpE program provides input parameters to the NRC Standardized Plant Analysis Risk models and the industry probabilistic risk assessment (PRA) models. While earlier PRA focuses were on at-power, internal event analysis, the risks from external hazards and during low power shutdown (LPSD) operation could be significant and the needs to develop LPSD PRA and external hazards PRA are on the rise. One issue in developing LPSD PRA is the reasonable estimation of shutdown initiative event (SDIE) frequencies. INL has developed and is maintaining an SDIE database for the NRC. However, this database is based on the reviewing of Licensee Event Reports (LERs), which is believed to be only a subset of “actual” shutdown initiating events occurred in the industry. This paper investigates a new approach to identify and characterize shutdown initiating events from the Institute of Nuclear Power Operations (INPO) industry database using machine learning techniques. The main process in this approach is to find out the relationship between key words in event descriptions and the SDIE categories as in the NRC SDIE database. The relationship can then be applied to the INPO database and search for SDIEs.

99 GENERAL AND MISCELLANEOUS↗

Custom Machines Advance Composite Manufacturing

Here is a brief list of materials that NASA will not be using to construct spacecraft: wood, adobe, fiberglass, bone. While it might be obvious why these materials would not make for safe space travel, they do share a common characteristic with materials that may well be the future foundation of spacecraft design: They all are composites. Formed of two or more unlike materials - such as cellulose and lignin in the case of wood, or glass fibers and plastic resin in the case of fiberglass-composites provide enhanced mechanical and physical properties through the combination of their constituent materials. For this reason, composites are used in everything from buildings, bathtubs, and countertops to boats, racecars, and sports equipment. NASA continually works to develop new materials to enable future space missions - lighter, less expensive materials that can still withstand the extreme demands of space travel. Composites such as carbon fiber materials offer promising solutions in this regard, providing strength and stiffness comparable to metals like aluminum but with less weight, allowing for benefits like better fuel efficiency and simpler propulsion system design. Composites can also be made fatigue tolerant and thermally stable - useful in space where temperatures can swing hundreds of degrees. NASA has recently explored the use of composites for aerospace applications through projects like the Composite Crew Module (CCM), a composite-constructed version of the aluminum-lithium Multipurpose Crew Capsule. The CCM was designed to give NASA engineers a chance to gain valuable experience developing and testing composite aerospace structures.

Source record↗

LES of HCCI combustion of iso-octane/air in a flat-piston rapid compression machine

Homogeneous Charge Compression Ignition (HCCI) engines promise better efficiency and cleaner emissions than conventional piston engines, but can be challenging to control. Rapid compression machines (RCM) provide a simplified configuration for investigating HCCI combustion behavior, which is necessary for effective control of engine ignition timing and peak pressures. Here, in this study, we assess the utility of large eddy simulations (LES) for predicting HCCI combustion in a 3-D configuration. To this end, LES with finite-rate chemistry employing a 99-species iso-octane/air mechanism of two RCM operating conditions are performed. The RCM configuration under consideration was designed by Strozzi et al. with a flat piston to introduce large amounts of thermal stratification representative of realistic HCCI engine conditions, through the generation of corner vortices. It is shown that the simulation provides reasonable agreement with temperature fluctuations (7% difference), as well as ignition delay in the short ignition case (1 ms difference), while the long ignition case (35 ms difference) highlights more substantial deficiencies that are still within the expected uncertainty from the employed chemical mechanism. Flame propagation modes predicted by LES agree with experimental observations: spontaneous ignition is seen in the short ignition case, while deflagration is more prominent in the long ignition case. Analysis of global and local quantities classify the short ignition case in a mixed ignition regime, and the long ignition case in the mild ignition regime. These results demonstrate the utility of FRC-LES for investigations of multimode combustion regimes of HCCI combustion in a 3-D configuration.

33 ADVANCED PROPULSION SYSTEMS↗

Performance Evaluation and Modeling Techniques for Parallel Processors

In practice, the performance evaluation of supercomputers is still substantially driven by singlepoint estimates of metrics (e.g., MFLOPS) obtained by running characteristic benchmarks or workloads. With the rapid increase in the use of time-shared multiprogramming in these systems, such measurements are clearly inadequate. This is because multiprogramming and system overhead, as well as other degradations in performance due to time varying characteristics of workloads, are not taken into account. In multiprogrammed environments, multiple jobs and users can dramatically increase the amount of system overhead and degrade the performance of the machine. Performance techniques, such as benchmarking, which characterize performance on a dedicated machine ignore this major component of true computer performance. Due to the complexity of analysis, there has been little work done in analyzing, modeling, and predicting the performance of applications in multiprogrammed environments. This is especially true for parallel processors, where the costs and benefits of multi-user workloads are exacerbated. While some may claim that the issue of multiprogramming is not a viable one in the supercomputer market, experience shows otherwise. Even in recent massively parallel machines, multiprogramming is a key component. It has even been claimed that a partial cause of the demise of the CM2 was the fact that it did not efficiently support time-sharing. In the same paper, Gordon Bell postulates that, multicomputers will evolve to multiprocessors in order to support efficient multiprogramming. Therefore, it is clear that parallel processors of the future will be required to offer the user a time-shared environment with reasonable response times for the applications. In this type of environment, the most important performance metric is the completion of response time of a given application. However, there are a few evaluation efforts addressing this issue.

Dimpsey, Robert Tod↗

A Probabilistic Reasoner Based on Bayes Risk for Damage Detection in Structural Systems

Structural health monitoring (SHM) systems are used to inform operation of structural systems subject to loads and environments that may affect their integrity. SHM systems rely on continuous monitoring of the structure to determine its health state. These systems are often coupled with a model of the deployed structure to determine the consequences of changes in the system by forecasting the response to future states. These models, which may be thought of as digital twins, need to be updated to reflect the latest state of the structural system. This work makes use of an uncertainty-aware machine learning model that enforces distance preservation of the original input space to determine deviations from the training data input space distributions. This workflow enables domain shift detection to determine whether damage is present in the structure. The uncertainty metrics generated by this network are then used in a Bayes risk framework to design an optimal damage detector given cost and risk considerations. The approach is demonstrated on a computational example with simulated damage.

Najera-Flores, David [ATA Engineering, Inc.]↗

Hybrid Storage Solution

With the rise of artificial intelligence and machine learning, data sets used to train models have become increasingly large. The availability, accessibility and integrity of large data sets has become important to the research conducted at Los Alamos National Laboratory. Ceph is a storage solution suitable for use with critical data because of its distributed nature and ability to keep multiple copies of a file in different locations. The amount of data means that bandwidth, latency, and cost are important factors and the reason most storage solutions are on-premises. However, there are distinct advantages to hosting services in the cloud, namely scalability and ease-of-use. In this paper, we explore the possibility of provisioning a hybrid Ceph cluster that leverages the benefits of both cloud architectures and on-premise performance.

97 MATHEMATICS AND COMPUTING↗