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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings

Abstract Machine learning for materials discovery has largely focused on predicting an individual scalar rather than multiple related properties, where spectral properties are an important example. Fundamental spectral properties include the phonon density of states (phDOS) and the electronic density of states (eDOS), which individually or collectively are the origins of a breadth of materials observables and functions. Building upon the success of graph attention networks for encoding crystalline materials, we introduce a probabilistic embedding generator specifically tailored to the prediction of spectral properties. Coupled with supervised contrastive learning, our materials-to-spectrum (Mat2Spec) model outperforms state-of-the-art methods for predicting ab initio phDOS and eDOS for crystalline materials. We demonstrate Mat2Spec’s ability to identify eDOS gaps below the Fermi energy, validating predictions with ab initio calculations and thereby discovering candidate thermoelectrics and transparent conductors. Mat2Spec is an exemplar framework for predicting spectral properties of materials via strategically incorporated machine learning techniques.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

True random number generation using the spin crossover in LaCoO 3

While digital computers rely on software-generated pseudo-random number generators, hardware-based true random number generators (TRNGs), which employ the natural physics of the underlying hardware, provide true stochasticity, and power and area efficiency. Research into TRNGs has extensively relied on the unpredictability in phase transitions, but such phase transitions are difficult to control given their often abrupt and narrow parameter ranges (e.g., occurring in a small temperature window). Here we demonstrate a TRNG based on self-oscillations in LaCoO 3 that is electrically biased within its spin crossover regime. The LaCoO 3 TRNG passes all standard tests of true stochasticity and uses only half the number of components compared to prior TRNGs. Assisted by phase field modeling, we show how spin crossovers are fundamentally better in producing true stochasticity compared to traditional phase transitions. As a validation, by probabilistically solving the NP-hard max-cut problem in a memristor crossbar array using our TRNG as a source of the required stochasticity, we demonstrate solution quality exceeding that using software-generated randomness.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A genetic algorithm approach for reconstructing spectral content from filtered x-ray diode array spectrometers

Filtered diode array spectrometers are routinely employed to infer the temporal evolution of spectral power from x-ray sources, but uniquely extracting spectral content from a finite set of broad, spectrally overlapping channel spectral sensitivities is decidedly nontrivial in these under-determined systems. Here, we present the use of genetic algorithms to reconstruct a probabilistic spectral intensity distribution and compare to the traditional approach most commonly found in the literature. Unlike many of the previously published models, spectral reconstructions from this approach are neither limited by basis functional forms nor do they require a priori spectral knowledge. While the original intent of such measurements was to diagnose the temporal evolution of spectral power from quasi-blackbody radiation sources—where the exact details of spectral content were not thought to be crucial—we demonstrate that this new technique can greatly enhance the utility of the diagnostic by providing more physical spectra and improved robustness to hardware configuration for even strongly non-Planckian distributions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

MACCS User Guide (V.5.0)

MACCS is used by the Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This user guide is intended to assist analysts in understanding the MACCS/MACCS-UI User Interface (UI) model and to provide information regarding the code. This user guide version describes MACCS Version 5.0, model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

MACCS User Guide - Version 5.2

MACCS is used by the Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This user guide is intended to assist analysts in understanding the MACCS/MACCS-UI User Interface (UI) model and to provide information regarding the code. This user guide version describes MACCS Version 5.2, model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

Learning In networks

Intelligent systems require software incorporating probabilistic reasoning, and often times learning. Networks provide a framework and methodology for creating this kind of software. This paper introduces network models based on chain graphs with deterministic nodes. Chain graphs are defined as a hierarchical combination of Bayesian and Markov networks. To model learning, plates on chain graphs are introduced to model independent samples. The paper concludes by discussing various operations that can be performed on chain graphs with plates as a simplification process or to generate learning algorithms.

Buntine, Wray L.↗
NASA NTRS1997

Effect of Cyclic Thermal Loads on Fatigue Reliability in Polymer Matrix Composites

Technological solutions that will ensure the economic viability and environmental compatibility of a future High Speed Civil Transport plane are currently being sought. Lighter structural materials for both airframe primary structures and engine structure components are being investigated. We believe that such objectives can be achieved through the use of high-temperature composites as well as other conventional, lighter weight alloys. One of the prime issues for these structural components is assured long-term behavior with a specified reliability. An investigation was conducted to describe a computational simulation methodology for predicting fatigue life, reliability, and probabilistic long-term behavior of polymer matrix composites. A unified time-, stress-, and load-dependent Multi- Factor Interaction Equation (MFIE) model developed at the NASA Lewis Research Center was used to simulate the long-term behavior of polymer matrix composites.

Chamis, Christos C.↗
NASA NTRSDate not supplied

Assessment of Crew Time for Maintenance and Repairs Activities for Lunar Surface Missions

NASA is currently evaluating different methods to predict how much time crewmembers will spend conducting repair and maintenance activities on future space missions. As mission scope and spacecraft architectures change, it will be necessary to understand how crew repair and maintenance timelines are impacted by mission operations and technology changes. Past work has been done using historical ISS data to accurately predict crew habitation and operation timelines, resulting in the development of NASA’s Exploration Crew Time Model (ECTM). However, understanding crew maintenance and repair requirements has posed a unique challenge due to the complexity of available datasets, the probabilistic nature of sub-system failures, and the impacts of reliability growth on failure rates. This paper presents a methodology to collect and condition empirical repair and maintenance time data from available data sets, to extrapolate from that data to estimate projected maintenance and repair times for a lunar Surface Habitat, and to assess how uncertainty in repair time could impact utilization time on the lunar surface. NASA International Space Station (ISS) maintenance and crew time data are logged into two central databases, the Maintenance Data Collection (MDC) and the Operations Planning Timeline Integration System (OPTimIS) respectively. Separately, each of these two datasets capture only portions of the complete set of data required to generate an accurate assessment of crew time spent on maintenance activities at a sub-system level. MDC provides a detailed catalog of failure events and an overview of the failure’s required maintenance and OPTimIS provides a description of crew activities and crew time durations dedicated to maintenance. To create a more useful crew time estimate for maintenance timelines, the authors developed a methodology to capture relevant data from each set and combine and utilize that data by linking crew time requirements to specific components. The authors compare the failure logs in the MDC to crew activity logs pulled from OPTimIS and then process the data to estimate required repair times for each failure event. Data is also classified by the outcome of each repair event, whether the failed component was replaced or whether it was repaired in place. The entire maintenance activity dataset is then categorized based on the class of failed component to allow for a statistically significant sample size for each class and to provide accurate crew time estimates for any components lacking relevant data. This resultant component repair time data can be used in the future to generate Mean Time To Repair (MTTR) estimates and confidence intervals for each class of component based on a probabilistic distribution of documented maintenance events. These improved MTTR values can then be applied to candidate element sub-system architectures, along with component Mean Time Between Failure (MTBF) data to generate distributions for potential required system crew repair time estimates for a given mission. Repair time distributions can then be used to develop more accurate crew schedules and to assess potential available utilization time.

Crew Time↗
DOE OSTI2021

Enhancement of Industry Legacy Probabilistic Risk Assessment Methods and Tools

Probabilistic risk assessments (PRAs) are integral to nuclear power plant (NPP) operations, having tremendously benefitted the safety of the U.S. reactor fleet for decades. Insights obtained from the models have provided perspectives on a variety of applications, both at the plant and for the regulator. While these models are very useful, they are now being asked to represent and analyze aspects of the plant that were never envisioned by the initial PRA practitioners. Furthermore, heightened demands on the PRA models have led to increased computing power requirements. Additionally, as the complexity of the PRA models increased, the difficulty experienced by non-PRA experts in trying to understand these models, grasp the insights they provide, and effectively use that information has become problematic. The need for research to address key issues regarding PRA tools and methods has never been greater. Although the nuclear power industry has largely been well-served by these tools and methods, the underlying science is dated, remaining mostly unchanged for over two decades. Three areas were identified as most beneficial to address to maintain and improve the usefulness of the current practice legacy PRA tools: improvement in quantification speed, increased ability to efficiently model multi-hazard models, and improvement in modeling human action dependency in PRA. This report provides the outcomes from the FY2021 research into these three areas, identifying potential technical gaps and solutions, and charting the next steps forward to address current PRA challenges.

42 ENGINEERING↗
NASA NTRS1992

A probabilistic fracture mechanics approach for structural reliability assessment of space flight systems

A probabilistic fracture mechanics approach for predicting the failure life distribution due to subcritical crack growth is presented. A state-of-the-art crack propagation method is used in a Monte Carlo simulation to generate a distribution of failure lives. The crack growth failure model expresses failure life as a function of stochastic parameters including environment, loads, material properties, geometry, and model specification errors. A stochastic crack growth rate model that considers the uncertainties due to scatter in the data and mode misspecification is proposed. The rationale for choosing a particular type of probability distribution for each stochastic input parameter and for specifying the distribution parameters is presented. The approach is demonstrated through a probabilistic crack growth failure analysis of a welded tube in the Space Shuttle Main Engine. A discussion of the results from this application of the methodology is given.

Sutharshana, S.↗
NASA NTRS2009

Probabilistic Assessment of Radiation Risk for Astronauts in Space Missions

Accurate predictions of the health risks to astronauts from space radiation exposure are necessary for enabling future lunar and Mars missions. Space radiation consists of solar particle events (SPEs), comprised largely of medium energy protons, (less than 100 MeV); and galactic cosmic rays (GCR), which include protons and heavy ions of higher energies. While the expected frequency of SPEs is strongly influenced by the solar activity cycle, SPE occurrences themselves are random in nature. A solar modulation model has been developed for the temporal characterization of the GCR environment, which is represented by the deceleration potential, phi. The risk of radiation exposure from SPEs during extra-vehicular activities (EVAs) or in lightly shielded vehicles is a major concern for radiation protection, including determining the shielding and operational requirements for astronauts and hardware. To support the probabilistic risk assessment for EVAs, which would be up to 15% of crew time on lunar missions, we estimated the probability of SPE occurrence as a function of time within a solar cycle using a nonhomogeneous Poisson model to fit the historical database of measurements of protons with energy > 30 MeV, (phi)30. The resultant organ doses and dose equivalents, as well as effective whole body doses for acute and cancer risk estimations are analyzed for a conceptual habitat module and a lunar rover during defined space mission periods. This probabilistic approach to radiation risk assessment from SPE and GCR is in support of mission design and operational planning to manage radiation risks for space exploration.

Kim, Myung-Hee↗
DOE OSTI2025

Probabilistic Error Bounds for Low-Rank Tensor Decompositions Used in Large-Scale Data Analysis Applications (LDRD Final Report)

This report documents a research project on analyzing low-rank tensor models for data analysis that took place at Sandia National Laboratories from October 2023–September 2025. The focus of this work was to extend theoretical frameworks from statistics and probability theory for use with models for scalar, vector, and matrix data to models with tensor, or general multi-dimensional array, data. Through this work, we have provided a new set of tools for bounding errors on low-rank tensor models of both complete and sampled data. The remainder of this report is organized as follows. In Section 1, we describe the proposed work at the start of the project. Section 2 describes the research advances made as part of the project. Other research contributions in the form of conference presentations and software development is provided in Section 3. Workforce development at Sandia and Florida Atlantic University (via a subcontract on this project) is provided in Section 4.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2011

Multiple Damage Progression Paths in Model-Based Prognostics

Model-based prognostics approaches employ domain knowledge about a system, its components, and how they fail through the use of physics-based models. Component wear is driven by several different degradation phenomena, each resulting in their own damage progression path, overlapping to contribute to the overall degradation of the component. We develop a model-based prognostics methodology using particle filters, in which the problem of characterizing multiple damage progression paths is cast as a joint state-parameter estimation problem. The estimate is represented as a probability distribution, allowing the prediction of end of life and remaining useful life within a probabilistic framework that supports uncertainty management. We also develop a novel variance control mechanism that maintains an uncertainty bound around the hidden parameters to limit the amount of estimation uncertainty and, consequently, reduce prediction uncertainty. We construct a detailed physics-based model of a centrifugal pump, to which we apply our model-based prognostics algorithms. We illustrate the operation of the prognostic solution with a number of simulation-based experiments and demonstrate the performance of the chosen approach when multiple damage mechanisms are active

Daigle, Matthew↗
NASA NTRS1998

Towards a Probabilistic Criterion for Preliminary Shell Design

Thin-walled stiffened or unstiffened, metallic or composite shells are widely used structural elements in aeronautical and space applications. Buckling strength, which is a major concern in all these areas, is affected by the uncertainties in the definition of loads, material properties, geometric variables, engineering models and the accuracy of the analysis tools used in the design phase. The NASA design criteria monographs from the late sixties account for these design uncertainties by the use of a lump sum safety factor or the so-called "knockdown" factor gamma, which usually results in an overly conservative design. In the present paper a new, reliability based, probabilistic design procedure for buckling critical imperfect isotropic shells is proposed. It essentially consists of a stochastic approach based on a new, improved "knockdown" factor lambda(sub a) that is not as conservative as the traditional one. It is felt that by quantifying and understanding the "problem uncertainties" such as initial imperfections and their influence on the design variables, one can develop a better engineered, better designed and safer system.

Arbocz, Johann↗
NASA NTRS2006

Stochastic Simulation Tool for Aerospace Structural Analysis

Stochastic simulation refers to incorporating the effects of design tolerances and uncertainties into the design analysis model and then determining their influence on the design. A high-level evaluation of one such stochastic simulation tool, the MSC.Robust Design tool by MSC.Software Corporation, has been conducted. This stochastic simulation tool provides structural analysts with a tool to interrogate their structural design based on their mathematical description of the design problem using finite element analysis methods. This tool leverages the analyst's prior investment in finite element model development of a particular design. The original finite element model is treated as the baseline structural analysis model for the stochastic simulations that are to be performed. A Monte Carlo approach is used by MSC.Robust Design to determine the effects of scatter in design input variables on response output parameters. The tool was not designed to provide a probabilistic assessment, but to assist engineers in understanding cause and effect. It is driven by a graphical-user interface and retains the engineer-in-the-loop strategy for design evaluation and improvement. The application problem for the evaluation is chosen to be a two-dimensional shell finite element model of a Space Shuttle wing leading-edge panel under re-entry aerodynamic loading. MSC.Robust Design adds value to the analysis effort by rapidly being able to identify design input variables whose variability causes the most influence in response output parameters.

Knight, Norman F.↗
DOE OSTI2021

Probabilistic Deep Learning Approach to Automate the Interpretation of Multi-phase Diffraction Spectra

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase mixtures. At the core of this algorithm lies an ensemble convolutional neural network trained on simulated diffraction spectra, which are systematically augmented with physics-informed perturbations to account for artifacts that can arise during experimental sample preparation and synthesis. In this work, larger perturbations associated with off-stoichiometry are also captured by supplementing the training set with hypothetical solid solutions. Spectra containing mixtures of materials are analyzed with a newly developed branching algorithm that utilizes the probabilistic nature of the neural network to explore suspected mixtures and identify the set of phases that maximize confidence in the prediction. Our model is benchmarked on simulated and experimentally measured diffraction spectra, showing exceptional performance with accuracies exceeding those given by previously reported methods based on profile matching and deep learning. We envision that the algorithm presented here may be integrated in experimental workflows to facilitate the high-throughput and autonomous discovery of inorganic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Assessing and benchmarking the fidelity of posterior inference methods for astrophysics data analysis

In this era of large and complex astronomical survey data, interpreting, validating, and comparing inference techniques becomes increasingly difficult. This is particularly critical for emerging inference methods like Simulation-Based Inference (SBI), which offer significant speedup potential and posterior modeling flexibility, especially when deep learning is incorporated. We present a study to assess and compare the performance and uncertainty prediction capability of Bayesian inference algorithms – from traditional MCMC sampling of analytic functions to deep learning-enabled SBI. We focus on testing the capacity of hierarchical inference modeling in those scenarios. Before we extend this study to cosmology, we first use astrophysical simulation data to ensure interpretability. We demonstrate a probabilistic programming implementation of hierarchical and non-hierarchical Bayesian inference using simulations derived from the DeepBench software library, a benchmarking tool developed by our group that generates simple and controllable astrophysical objects from first principles. This study will enable astronomers and physicists to harness the inference potential of these methods with confidence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗