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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Extrapolation of the Rainflow-Counted Load Ranges for Fatigue Assessment of the Wind Turbine's Blades

Wind turbine design standards recommend the use of statistical modeling coupled with extrapolation of the short-term load data to long-term periods for fatigue reliability assessment. However, statistical error and computational expense can limit the accuracy of such approaches. In the case of wind turbine blades, the errors are more significant because of the high material fatigue exponent that makes the damage estimations more sensitive to variations. In addition, due to different excitation sources, the flapwise load range histogram is not unimodal, and thus its statistical modeling is complex. In the present work, we provide three methods for statistical modeling of the flapwise bending moment ranges including a novel approach based on frequency-based separation of the modes. The first two methods are simplified approaches for modeling the most crucial load ranges using unimodal distributions and the third method involves multimodal distribution fitting. The research is based on 3600 10-minute aeroelastic simulations of DTU 10MW case study wind turbine from which a benchmark damage equivalent load (DEL) is calculated. The DEL calculated by each of the three proposed methods is compared to this reference. The results show that the conventional approach based on using 6 seeds as well as using mixture models fitted on the limited data lead to under-conservative results with errors up to 23%. On the other hand, the simplified unimodal approaches provided in this work can provide conservative estimations of the fatigue damage with mean values 5% and 12% higher than the benchmark. However, the variability of the DEL estimates is higher when using unimodal extrapolation of the load ranges, and the data can be conservative by 17.5%. The proposed unimodal fits suggested for modeling and extrapolation of the blade's load ranges provide less errors relatively and most importantly conservative DEL estimations while maintaining computational efficiency.

blade fatigue↗
NASA NTRS2020

Direct Numerical Simulations of Acoustic Disturbances in Various Rectangular Nozzle Configurations

We perform Direct Numerical Simulations (DNS) to study the acoustic freestream disturbances radiating from the turbulent boundary layers along the contoured nozzle walls of a hypersonic wind tunnel with a rectangular test section. To begin with, the effects of the spanwise end walls are suppressed by confining the spanwise computational domain to a finite segment of the overall nozzle cross section and by imposing periodic boundary conditions across that spanwise domain. Besides providing a building-block configuration to reveal par- tial effects of the enclosed acoustic environment within the wind tunnel, these computations serve as a stepping stone toward the goal of fully-3D computations including the nozzle end walls. Building upon the earlier simulations of Deegan et al. (2018), we show that the computed acoustic characteristics in the spanwise periodic simulations are insensitive to changes in the grid resolution parameters (e.g., x+ and z+). This is relative to the previous simulations that involved a coarser resolution in the streamwise and wall-normal directions, especially up- stream of the test section. Furthermore, we outline a comparison of the pressure fluctuations induced by the turbulent boundary layers over the contoured nozzle walls and several other calculations involving boundary layers over a single flat plate at nearly the same value of the edge Mach number. We also show the impact of having only one turbulent boundary layer instead of two within the computational setup. Various flow statistics, including the first and second moments of the unsteady flow field, are computed for the different flow configurations. Good comparisons of the statistics of the nozzle-wall boundary-layer turbulence and of the freestream acoustic disturbances between the simulations of coarser and finer grids confirms DNS procedure, but also the insensitivity of noise characteristics t section to the inflow turbulence generation technique.

Hildebrand, Nathaniel↗
DOE OSTI2024

Physics-informed machine learning of the correlation functions in bulk fluids

The Ornstein–Zernike (OZ) equation is the fundamental equation for pair correlation function computations in the modern integral equation theory for liquids. In this work, machine learning models, notably physics-informed neural networks and physics-informed neural operator networks, are explored to solve the OZ equation. The physics-informed machine learning models demonstrate great accuracy and high efficiency in solving the forward and inverse OZ problems of various bulk fluids. The results highlight the significant potential of physics-informed machine learning for applications in thermodynamic state theory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Tools for Water Ingress Testing

The Safety Storage and Engineering Team, as part of the Production Support Services division (PSS-2), is tasked with ensuring the safety of containers used for handling and storage of nuclear materials. As part of this work, water ingress tests are conducted to evaluate the water-tightness of containers intended for in-glovebox use. In collaboration, the statistics group of the Computer and Computational Sciences Division (CCS-6) provided support in developing a statistically defensible approach for determining appropriate sample sizes for water ingress testing. Water ingress testing involves multiple measurements on multiple containers. Our approach uses a simple random effects model to analyze a pilot data set, implementing prediction limits to evaluate the efficacy of collecting additional data. Although this study capitalizes on available data, our approach can be used with estimates of the ratio of between and within variability and average values, often available from past testing or expert knowledge. An interactive Shiny tool was developed as a final user-friendly product for future testing. The Shiny interface is an open-source package providing a framework for building web applications. Raw data exploration and prediction interval-based sample size assessments can quickly be conducted by the engineering team without needing to interact with the underlying code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2007

Shell Models of RMHD Turbulence and the Heating of Solar Coronal Loops

A simplified nonlinear numerical model for the development of incompressible magnetohydrodynamics in the presence of a strong magnetic field B|| and stratification, nicknamed 'Shell-Atm,' is presented. In planes orthogonal to the mean field, the nonlinear incompressible dynamics is replaced by two-dimensional shell models for the complex variables u and b, allowing one to reach large Reynolds numbers while at the same time carrying out sufficiently long integrations to obtain good statistics at moderate computational cost. The shell models of different planes are coupled by Alfve'n waves propagating along B||. The model may be applied to open or closed magnetic field configurations where the axial field dominates and the plasma pressure is low; here we apply it to the specific case of a magnetic loop of the solar corona heated by means of turbulence driven by photospheric motions, and we use statistics for its analysis. The Alfven waves interact nonlinearly and form turbulent spectra in the directions perpendicular and, through propagation, also parallel to the mean field. A heating function is obtained and shown to be intermittent; the average heating is consistent with values required for sustaining a hot corona and is proportional to the aspect ratio of the loop to the -1.5 power, and haracteristic properties of heating events are distributed as power laws. Crosscorrelations show a delay of dissipation compared with energy content.

corona↗
DOE OSTI2021

Passive method to measure strength of turbulence

Disclosed is a method to passively measure and calculate the strength of turbulence via the index of refraction structure constant Cn2 from video imagery gathered by an imaging device, such as a video camera. Processing may occur with any type computing device utilizing a processor executing machine executable code stored on memory. This method significantly simplifies instrumentation requirements, reduces cost, and provides rapid data output. This method combines an angle of arrival methodology, which provides scale factors, with a new spatial/temporal frequency domain method. As part of the development process, video imagery from high speed cameras was collected and analyzed. The data was decimated to video rates such that statistics could be computed and used to confirm that this passive method accurately characterizes the atmospheric turbulence. Cn2 accuracy from this method compared well with scintillometer data through two full orders of magnitude and more capability is expected beyond this verification.

O'Neill, Mary Morabito↗
DOE OSTI2019

Probabilistic Forecast of Single–Phase Flow in Porous Media With Uncertain Properties

Uncertainty about geologic makeup and properties of the subsurface renders inadequate a unique quantitative prediction of flow and transport. Instead, multiple alternative scenarios have to be explored within the probabilistic framework, typically by means of Monte Carlo simulations (MCS). These can be computationally expensive, and often prohibitively so, especially when the goal is to compute the tails of a distribution, i.e., probabilities of rare events, which are necessary for risk assessment and decision making under uncertainty. We deploy the method of distributions to derive a deterministic equation for the cumulative distribution function (CDF) of hydraulic head in an aquifer with uncertain (random) hydraulic conductivity. The CDF equation relies on a self-consistent closure approximation, which ensures that the resulting CDF of hydraulic head has the same mean and variance as those computed with either statistical moment equation (the approach used herein) or MCS. We conduct a series of numerical experiments dealing with steady-state two-dimensional flow driven by either a natural hydraulic head gradient or a pumping well. Furthermore, these experiments reveal that the CDF method remains accurate and robust for highly heterogeneous formations with the variance of log conductivity as large as five. For the same accuracy, it is also up to four orders of magnitude faster than MCS in computing hydraulic head with a required degree of confidence (probability).

42 ENGINEERING↗
NASA NTRS1986

High-accuracy computation of Delta V magnitude probability densities - Preliminary remarks

This paper describes an algorithm for the high accuracy computation of some statistical quantities of the magnitude of a random trajectory correction maneuver (TCM). The trajectory correction velocity increment Delta V is assumed to be a three-component random vector with each component being a normally distributed random scalar having a possibly nonzero mean. Knowledge of the statitiscal properties of the magnitude of a random TCM is important in the planning and execution of maneuver strategies for deep-space missions such as Galileo. The current algorithm involves the numerical integration of a set of differential equations. This approach allows the computation of density functions for specific Delta V magnitude distributions to high accuracy without first having to generate large numbers of random samples. Possible applications of the algorithm to maneuver planning, planetary quarantine evaluation, and guidance success probability calculations are described.

Chadwick, C.↗
DOE OSTI2026

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics

Transient carbon-centered hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation are characterized by their time- and energy-resolved unimolecular dissociation dynamics to hydroxyl (OH) and cyclic ether products. Two distinct •QOOH isomers are examined with radical sites at a primary carbon of one of the methyl groups (β-Me) or a secondary carbon (β-Et) of the ethyl group. Energy-dependent unimolecular rates are obtained from the time-dependent appearance of OH products for the two isomers and compared with statistical microcanonical rates computed using RRKM theory, including heavy-atom tunneling, based on high-level theoretical calculations. A benchmark-corrected approach is utilized to compute high-accuracy stationary-point energies, most importantly, transition-state barriers, for the •QOOH_Me and •QOOH_Et isomers in isopentane oxidation, building on higher-level reference calculations for the oxidation of ethane (C 2 H 5 O 2 ) and propane (C 3 H 7 O 2 ), respectively. Here, the measured rates are compared with RRKM calculations incorporating the benchmark-corrected transition-state parameters, a vibrationally adiabatic multidimensional hindered-rotor treatment of key torsions, and quantum tunneling. Agreement between experiment and theory validates the statistical description and shows faster decay for •QOOH_Et due to its lower barrier. Both β-QOOH isomers decay almost exclusively to OH + cyclic ether products under the conditions studied.

Oxidation processes↗
DOE OSTI2020

Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

Significance Water is central across much of the physical and biological sciences and exhibits physical properties that are qualitatively distinct from those of most other liquids. Understanding the microscopic basis of water’s peculiar properties remains an active area of research. One intriguing hypothesis is that liquid water can separate into metastable high- and low-density liquid phases at low temperatures and high pressures, and the existence of this liquid–liquid transition could explain many of water’s anomalous properties. We used state-of-the-art approaches in computational quantum chemistry, statistical mechanics, and machine learning and obtained evidence consistent with a liquid–liquid transition, supporting the argument for the existence of this phenomenon in real water.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Application of a Threshold Method to the TRMM Radar for the Estimation of Space-Time Rain Rate Statistics

One of the TRMM radar products of interest is the monthly-averaged rain rates over 5 x 5 degree cells. Clearly, the most directly way of calculating these and similar statistics is to compute them from the individual estimates made over the instantaneous field of view of the Instrument (4.3 km horizontal resolution). An alternative approach is the use of a threshold method. It has been established that over sufficiently large regions the fractional area above a rain rate threshold and the area-average rain rate are well correlated for particular choices of the threshold [e.g., Kedem et al., 19901]. A straightforward application of this method to the TRMM data would consist of the conversion of the individual reflectivity factors to rain rates followed by a calculation of the fraction of these that exceed a particular threshold. Previous results indicate that for thresholds near or at 5 mm/h, the correlation between this fractional area and the area-average rain rate is high. There are several drawbacks to this approach, however. At the TRMM radar frequency of 13.8 GHz the signal suffers attenuation so that the negative bias of the high resolution rain rate estimates will increase as the path attenuation increases. To establish a quantitative relationship between fractional area and area-average rain rate, an independent means of calculating the area-average rain rate is needed such as an array of rain gauges. This type of calibration procedure, however, is difficult for a spaceborne radar such as TRMM. To estimate a statistic other than the mean of the distribution requires, in general, a different choice of threshold and a different set of tuning parameters.

Meneghini, Robert↗
DOE OSTI2026

Hydrogen Dispersion Modeling for Development of Smart Distributed Monitoring

Studying hydrogen dispersion is crucial for ensuring the safe and effective deployment of hydrogen as an energy carrier. This study presents a comprehensive CFD modeling framework for simulating hydrogen dispersion at a real-world hydrogen production, storage, and utilization facility. Utilizing the Hydrogen Research Facility under the Advanced Research on Integrated Energy Systems (ARIES) at the National Renewable Energy Laboratory's (NREL) Flatirons campus, controlled hydrogen releases at 27 kg-H2/hr were simulated. The model incorporated site-specific atmospheric conditions, including hourly wind speeds and temperatures recorded between 8 AM and 8 PM from October to December 2023. To reduce computational demands, a statistical reduction technique was applied to condense the dataset to 100 representative scenarios, validated by statistical tests for wind speeds and power law coefficients. Simulations were conducted using the Reynolds-Averaged Navier-Stokes equations. Results demonstrated that wind speed substantially influences hydrogen dispersion, with low wind conditions forming concentrated clouds and higher wind speeds stretching the plume. Additionally, clustering analysis informed optimal sensor placement at various elevations with up to 10 sensor locations on each elevation. This framework offers a robust approach for understanding hydrogen behavior in ambient conditions and informing detection strategies.

08 HYDROGEN↗
DOE OSTI2026

Operator-level quantum acceleration of non-logconcave sampling

Sampling from probability distributions of the form 𝝈 ∝ e −𝜷V , where V is a continuous potential, is a fundamental task across physics, chemistry, biology, computer science, and statistics. However, when V is nonconvex, the resulting distribution becomes non-logconcave, and classical methods such as Langevin dynamics often exhibit poor performance. We introduce a quantum algorithm that provably accelerates a broad class of continuous-time sampling dynamics. For Langevin dynamics, our method encodes the target Gibbs measure into the amplitudes of aquantum state, identified as the kernel of a block matrix derived from a factorization of the Witten Laplacian operator. This connection enables Gibbs sampling via singular value thresholding and yields up to a quartic quantum speedup over best-knownclassical Langevin-based methods in the non-logconcave setting. Building on this framework, we further develop the first quantum algorithm that accelerates replica exchange Langevin diffusion, a widely used method for sampling from complex, rugged energy landscapes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Graph neural networks for efficient learning of mechanical properties of polycrystals

Herein we present graph neural networks (GNNs) as an efficient and accurate machine learning approach to predict mechanical properties of polycrystalline materials. Here, a GNN was developed based on graph representation of polycrystals incorporating only fundamental features of grains including their crystallographic orientation, size, and grain neighbor connectivity information. We tested our method on modeling stiffness and yield strength of α -Ti microstructures, varying in their crystallographic texture. We find the GNN predicts both properties with high accuracy with mean relative errors of ~1% for unseen microstructures from a given set of textures and < 2% for microstructures of unseen texture, even when presented with limited training data. This accuracy is comparable to methods that require high-resolution three-dimensional (3D) microstructure data, such as 3D convolutional neural networks (3D-CNNs) and models that depend on the computation of spatial statistics. The present results show that graph-based deep learning is a promising framework for property prediction, especially considering the high cost associated with obtaining high-resolution 3D microstructure data and the general scarcity of experimental materials datasets.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Tunable Nanostructures from Inverse Surfactants

Hierarchical materials in the natural world are often made through the self-assembly of amphiphilic molecules. Achieving similar structural complexity in synthetic materials requires understanding how various molecular parameters affect assembly behavior. In recent years, inverse surfactants─molecules with hydrophobic head groups and hydrophilic macromolecular tails─have been shown to self-assemble into supramolecular assemblies in aqueous solutions that show promise for a number of applications, including drug delivery. Here, we build an understanding of the morphological phase diagram of inverse surfactants using insights from scattering experiments, computer simulations, and statistical mechanics. The scattering and simulation results reveal that changing the headgroup size is an important molecular knob in controlling morphological transitions. The molecular size ratio of the hydrophobic group to the hydrophilic group emerges as a crucial dimensionless quantity in our theory and plays a determining role in setting the micelle structure and the transition from mesoscale to macroscale aggregates. Our minimal theory is able to qualitatively explain the key features of the morphological phase diagram, including the prevalence of fiber-like structures in comparison to spherical and planar micelles. Together, these findings provide a more complete picture of the molecular dependencies of assemblies of inverse surfactants, which we hope may aid in the de novo design of supramolecular structures.

Christakopoulos, Panagiotis [ORNL] (ORCID:00090004↗
DOE OSTI2025

Spinon excitations and spin correlations in the one-dimensional quantum magnet β -VOSO 4 probed by Raman spectroscopy

Fractionalized excitations such as spinons and anyons have emerged as a central theme in condensed matter physics with broad implications for superconductivity, quantum statistics, and quantum computation. The nearly ideal one-dimensional S = 1/2 system β-VOSO 4 without long-range order down to 85 mK provides a promising platform to experimentally explore such fractionalized excitations. Here, we employ Raman spectroscopy to probe magnetic excitations and the evolution of spin correlations in β-VOSO 4 . Spinon signatures are found along the chain direction, evidenced by a broad, gapless scattering continuum at low temperatures. The temperature dependence of the spinon spectral weight aligns considerably with numerical density matrix renormalization group calculations. By comparing the experimental spinon spectral weight with calculated results and evaluating the associated quantum Fisher information (QFI) therefrom, we observe a steep increase in QFI upon cooling, indicating rapidly growing correlation lengths. Our study showcases QFI as a probe of spin correlations in quantum magnets.

Wulferding, Dirk [Sejong Univ., Seoul (Korea, Repu↗
DOE OSTI2023

TRISO Burnup-Dependent Failure Analysis of a HTGR Design-Basis Accident Using BISON

Here, this work assesses the failure behavior of the silicon carbide (SiC) layer in TRIstructural ISOtropic (TRISO) fuel particles with BISON during both steady-state and transient conditions for the MHTGR-350 design by General Atomics. A one-dimensional BISON model for a uranium oxycarbide–bearing TRISO is developed to simulate a power level of 50 mW/particles up to 12.4% fissions per initial metal atom (FIMA). Stress predictions for the materials of interest are presented as a function of burnup, along with the SiC failure probability computed using Weibull statistics under the assumption of realistic SiC quality.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗