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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The impact of plant‐derived fire management prescriptions on fire‐responsive bird species

Abstract In fire‐prone regions, the occurrence of some faunal species is contingent on the presence of resources that arise through post‐fire plant succession. Through planned burning, managers can alter resource availability and aim to provide the conditions required to promote biodiversity. Understanding how species occurrence changes at different spatial and temporal scales after fire is essential to achieve this goal. However, many fire prescriptions are guided primarily by the responses of fire‐sensitive plants when setting tolerable fire intervals. This approach assumes that maintaining floristic diversity will satisfy the requirements of fauna. We surveyed bird species in two semi‐arid vegetation types across an environmental gradient in south‐eastern Australia. We conducted four surveys at each of 253 sites across a 75‐year chronosequence of time since fire and used generalized additive mixed models to examine changes in the occurrence of birds in response to time since fire. Model predictions were compared to plant‐derived fire prescriptions currently guiding fire management in the region. Time since fire was a significant predictor for 18 of 28 species modeled, in at least one vegetation type, over a gradient of 1.3° of latitude. We detected considerable variation in the responses of some species, both between vegetation types and geographically within a vegetation type. Our evaluation of plant‐derived fire prescriptions suggests that the intervals considered acceptable for maintaining floristic diversity may not be sustainable for populations of birds requiring longer unburnt vegetation, with 6 of the 12 species assessed attaining a mean occurrence probability of 20.3% by the minimum tolerable fire interval, and 57.3% by the maximum tolerable fire interval, in their respective vegetation types. Our findings highlight the potential vulnerability of fire‐responsive bird species if fire prescriptions are applied in a manner that fails to account for the slow development of habitat resources needed by some species, and the variation detected within the responses of species. This highlights the need for species‐specific data collected at an appropriate spatial scale to inform management plans.

Makdissi, Rhys↗
DOE OSTI2022

Collapse of helium-filled voids in extreme deformation: Dislocation mechanisms

The mechanisms responsible for the collapse of helium-filled bubbles during the passage of shock waves in monocrystalline copper are revealed. Both internal pressure (caused by pre-existing helium atoms) and bubble size are varied in molecular dynamics simulations to understand the atomistic scale deformation as they are subjected to shock compression at pressures of 48, 123, and 170 GPa, corresponding to particle velocities of 1.0, 2.0, and 2.5 km/s. Both empty and helium filled bubbles serve as dislocation sources, generating intense, localized plastic regions. There are distinct differences in the collapse of empty voids compared to He-filled bubbles, the former requiring less stress and generating a greater density of dislocations for a given shock strength. Additionally, a generalized model for dislocation emission is proposed, where the inclusion of shear stress generated by the helium bubble increases the critical stress to generate dislocations at the defect surface, demonstrating the change in plastic deformation.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Construction and Use of Resting 12-Lead High Fidelity ECG "SuperScores" in Screening for Heart Disease

We investigated the accuracy of several conventional and advanced resting ECG parameters for identifying obstructive coronary artery disease (CAD) and cardiomyopathy (CM). Advanced high-fidelity 12-lead ECG tests (approx. 5-min supine) were first performed on a "training set" of 99 individuals: 33 with ischemic or dilated CM and low ejection fraction (EF less than 40%); 33 with catheterization-proven obstructive CAD but normal EF; and 33 age-/gender-matched healthy controls. Multiple conventional and advanced ECG parameters were studied for their individual and combined retrospective accuracies in detecting underlying disease, the advanced parameters falling within the following categories: 1) Signal averaged ECG, including 12-lead high frequency QRS (150-250 Hz) plus multiple filtered and unfiltered parameters from the derived Frank leads; 2) 12-lead P, QRS and T-wave morphology via singular value decomposition (SVD) plus signal averaging; 3) Multichannel (12-lead, derived Frank lead, SVD lead) beat-to-beat QT interval variability; 4) Spatial ventricular gradient (and gradient component) variability; and 5) Heart rate variability. Several multiparameter ECG SuperScores were derivable, using stepwise and then generalized additive logistic modeling, that each had 100% retrospective accuracy in detecting underlying CM or CAD. The performance of these same SuperScores was then prospectively evaluated using a test set of another 120 individuals (40 new individuals in each of the CM, CAD and control groups, respectively). All 12-lead ECG SuperScores retrospectively generated for CM continued to perform well in prospectively identifying CM (i.e., areas under the ROC curve greater than 0.95), with one such score (containing just 4 components) maintaining 100% prospective accuracy. SuperScores retrospectively generated for CAD performed somewhat less accurately, with prospective areas under the ROC curve typically in the 0.90-0.95 range. We conclude that resting 12-lead high-fidelity ECG employing and combining the results of several advanced ECG software techniques shows great promise as a rapid and inexpensive tool for screening of heart disease.

Schlegel, T. T.↗
DOE OSTI2026

A Comprehensive Comparison of Methods for Evaluating Dispatch of Long-Duration Energy Storage in Power Systems Models

Long-duration energy storage (LDES) could play a pivotal role in the transformation of electricity grids with high shares of variable renewable energy (VRE) such as solar and wind. However, the weather-dependent nature of VRE introduces challenges for grid balancing and stability, which LDES - along with short-duration energy storage (SDES) - can help address. However, modeling LDES in production cost models (PCMs) is particularly challenging due to the need for high temporal resolution over extended optimization windows while preserving chronology, which ensures the alignment of energy storage operations with VRE generation over multi-day periods. This report compares traditional dispatch methods with advanced LDES dispatch strategies, such as the extended horizon approach, across different PCM platforms and examines tradeoffs and scalability. The comparison reveals that the traditional 1-day optimization horizon within the PCM leads to inefficient utilization of LDES. In contrast, extending the optimization horizon as much as possible significantly reduces curtailment and improves storage dispatch, especially in renewable-dense systems. There is also promise in using state-of-charge or end volume targets set by an external model, however this requires an additional modeling set and generally increases computational burden. This paper presents a comparison of these various methods in a number of power systems, showing algorithms initially in small test systems and scaling up to large, country-wide simulations. Overall, the research presents the trade-offs of various computational methods and illustrates how LDES may play an essential role in power systems of the future.

14 SOLAR ENERGY↗
NASA NTRS1989

Results of including geometric nonlinearities in an aeroelastic model of an F/A-18

An integrated, nonlinear simulation model suitable for aeroelastic modeling of fixed-wing aircraft has been developed. While the author realizes that the subject of modeling rotating, elastic structures is not closed, it is believed that the equations of motion developed and applied herein are correct to second order and are suitable for use with typical aircraft structures. The equations are not suitable for large elastic deformation. In addition, the modeling framework generalizes both the methods and terminology of non-linear rigid-body airplane simulation and traditional linear aeroelastic modeling. Concerning the importance of angular/elastic inertial coupling in the dynamic analysis of fixed-wing aircraft, the following may be said. The rigorous inclusion of said coupling is not without peril and must be approached with care. In keeping with the same engineering judgment that guided the development of the traditional aeroelastic equations, the effect of non-linear inertial effects for most airplane applications is expected to be small. A parameter does not tell the whole story, however, and modes flagged by the parameter as significant also need to be checked to see if the coupling is not a one-way path, i.e., the inertially affected modes can influence other modes.

Buttrill, Carey S.↗
NASA NTRS1999

Delamination Modeling of Composites for Improved Crash Analysis

Finite element crash modeling of composite structures is limited by the inability of current commercial crash codes to accurately model delamination growth. Efforts are made to implement and assess delamination modeling techniques using a current finite element crash code, MSC/DYTRAN. Three methods are evaluated, including a straightforward method based on monitoring forces in elements or constraints representing an interface; a cohesive fracture model proposed in the literature; and the virtual crack closure technique commonly used in fracture mechanics. Results are compared with dynamic double cantilever beam test data from the literature. Examples show that it is possible to accurately model delamination propagation in this case. However, the computational demands required for accurate solution are great and reliable property data may not be available to support general crash modeling efforts. Additional examples are modeled including an impact-loaded beam, damage initiation in laminated crushing specimens, and a scaled aircraft subfloor structures in which composite sandwich structures are used as energy-absorbing elements. These examples illustrate some of the difficulties in modeling delamination as part of a finite element crash analysis.

Fleming, David C.↗
NASA NTRS1999

Delamination Modeling of Composites for Improved Crash Analysis

Finite element crash modeling of composite structures is limited by the inability of current commercial crash codes to accurately model delamination growth. Efforts are made to implement and assess delamination modeling techniques using a current finite element crash code, MSC/DYTRAN. Three methods are evaluated, including a straightforward method based on monitoring forces in elements or constraints representing an interface; a cohesive fracture model proposed in the literature; and the virtual crack closure technique commonly used in fracture mechanics. Results are compared with dynamic double cantilever beam test data from the literature. Examples show that it is possible to accurately model delamination propagation in this case. However, the computational demands required for accurate solution are great and reliable property data may not be available to support general crash modeling efforts. Additional examples are modeled including an impact-loaded beam, damage initiation in laminated crushing specimens, and a scaled aircraft subfloor structures in which composite sandwich structures are used as energy-absorbing elements. These examples illustrate some of the difficulties in modeling delamination as part of a finite element crash analysis.

Fleming, David C.↗
NASA NTRS2002

High-Resolution Simulation of Hurricane Bonnie (1998): Microphysics Validation using TRMM Data

A simulation of Hurricane Bonnie (1998) has been performed using multiple grid nesting to 2 km grid spacing. The simulation is initialized with large-scale analysis fields from the European Center for Medium Range Forecasts and with a bogus vortex inserted via four-dimensional variational data assimilation. The simulation reproduces well the storm intensity, the wavenumber 1 asymmetry of the precipitation field, the occurrence of deep convective towers within the eyewall, and the presence of broad stratiform precipitation regions. Radar and microwave observations from TRMM are used to validate the simulation. Result show excessive graupel production and, to some extent, excessive precipitation production in general by the model. Additional simulations are conducted (and validated by TRMM data) to test parameters and assumptions within the microphysics parameterizations including particle size distributions, particle densities, and assumptions that impact the partitioning of precipitation mass between graupel and snow.

Starr, David OC.↗
NASA NTRS2014

Development and Implementation of Dynamic Scripts to Execute Cycled WRF/GSI Forecasts

Automating the coupling of data assimilation (DA) and modeling systems is a unique challenge in the numerical weather prediction (NWP) research community. In recent years, the Development Testbed Center (DTC) has released well-documented tools such as the Weather Research and Forecasting (WRF) model and the Gridpoint Statistical Interpolation (GSI) DA system that can be easily downloaded, installed, and run by researchers on their local systems. However, developing a coupled system in which the various preprocessing, DA, model, and postprocessing capabilities are all integrated can be labor-intensive if one has little experience with any of these individual systems. Additionally, operational modeling entities generally have specific coupling methodologies that can take time to understand and develop code to implement properly. To better enable collaborating researchers to perform modeling and DA experiments with GSI, the Short-term Prediction Research and Transition (SPoRT) Center has developed a set of Perl scripts that couple GSI and WRF in a cycling methodology consistent with the use of real-time, regional observation data from the National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC). Because Perl is open source, the code can be easily downloaded and executed regardless of the user's native shell environment. This paper will provide a description of this open-source code and descriptions of a number of the use cases that have been performed by SPoRT collaborators using the scripts on different computing systems.

Zavodsky, Bradley↗
DOE OSTI2021

Vacuum magnetic fields with exact quasisymmetry near a flux surface. Part 1. Solutions near an axisymmetric surface

While several results have pointed to the existence of exactly quasisymmetric fields on a surface (Garren & Boozer, Phys. Fluids B, vol. 3, 1991, pp. 2805–2821; 2822–2834; Plunk & Helander, J. Plasma Phys. , vol. 84, 2018, 905840205), we have obtained the first such solutions using a vacuum surface expansion formalism. We obtain a single nonlinear parabolic partial differential equation for a function $\eta$ such the field strength satisfies $B = B(\eta )$ . Closed-form solutions are obtained in cylindrical, slab and isodynamic geometries. Numerical solutions of the full nonlinear equations in general axisymmetric toroidal geometry are obtained, resulting in a class of quasihelical local vacuum equilibria near an axisymmetric surface. The analytic models provide additional insight into general features of the nonlinear solutions, such as localization of the surface perturbations on the inboard side. The local solutions thus obtained can be continued globally only for special initial surfaces.

Physics↗
DOE OSTI2023

Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction

Deep learning models have proven to be a powerful tool for the prediction of molecular properties for applications including drug design and the development of energy storage materials. However, in order to learn accurate and robust structure–property mappings, these models require large amounts of data which can be a challenge to collect given the time and resource-intensive nature of experimental material characterization efforts. Additionally, such models fail to generalize to new types of molecular structures that were not included in the model training data. The acceleration of material development through uncertainty-guided experimental design has the promise to significantly reduce the data requirements and enable faster generalization to new types of materials. To evaluate the potential of such approaches for electrolyte design applications, we perform comprehensive evaluation of existing uncertainty quantification methods on the prediction of two relevant molecular properties - aqueous solubility and redox potential. We develop novel evaluation methods to probe the utility of the uncertainty estimates for both in-domain and out-of-domain data sets. Finally, we leverage selected uncertainty estimation methods for active learning to evaluate their capacity to support experimental design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Modelling, calibration, and error analysis of seven-hole pressure probes

This report describes the calibration of a nonnulling, conical, seven-hole pressure probe over a large range of flow onset angles. The calibration procedure is based on the use of differential pressures to determine the three components of velocity. The method allows determination of the flow angle and velocity magnitude to within an average error of 1.0 deg and 1.0 percent, respectively. Greater accuracy can be achieved by using high-quality pressure transducers. Also included is an examination of the factors which limit the use of the probe, a description of the measurement chain, an error analysis, and a typical experimental result. In addition, a new general analytical model of pressure probe behavior is described, and the validity of the model is demonstrated by comparing it with experimentally measured calibration data for a three-hole yaw meter and a seven-hole probe.

Zillac, G. G.↗
NASA NTRS1983

An analysis of the two-dimensional acoustic field in a nonuniform duct carrying compressible flow

An analytical/numerical linear acoustic solution in a nonuniform two-dimensional duct carrying a compressible mean flow is developed. A quasi-one dimensional mean flow model is employed together with a consistent expression for the cross-flow velocity. The acoustic solution is obtained using the Wave Envelope Method. Numerical results are compared with those of an existing Wave Envelope solution which includes a more general mean flow model. In addition, the singular behavior of the solutions derived in the current work for nearly sonic flow conditions is examined explicitly.

Uenishi, K.↗
NASA NTRS1989

Calibration of seven-hole pressure probes for use in fluid flows with large angularity

Described here is the calibration of a non-nulling, conical, seven-hole pressure probe over a large range of flow onset angles. The calibration procedure is based on the use of differential pressures to determine the three components of velocity. The method allows determination of the flow angle to within 0.5 deg and velocity magnitude to approximately 1.0 percent. Also included is an examination of the factors which limit the use of the probe, a description of the measurement chain, an error analysis, and a typical experimental result. In addition, a new general analytical model of pressure probe behavior is described and the validity of the model is demonstrated by comparing it with experimentally measured calibration data for a three-hole yaw meter and a seven-hole probe.

Zilliac, Gregory G.↗
DOE OSTI2022

A Fast Time-Stepping Strategy for Dynamical Systems Equipped with a Surrogate Model

Simulation of complex dynamical systems arising in many applications is computationally challenging due to their size and complexity. Model order reduction, machine learning, and other types of surrogate modeling techniques offer cheaper and simpler ways to describe the dynamics of these systems but are inexact and introduce additional approximation errors. In order to overcome the computational difficulties of the full complex models, on one hand, and the limitations of surrogate models, on the other, this work proposes a new accelerated time-stepping strategy that combines information from both. This approach is based on the multirate infinitesimal general-structure additive Runge--Kutta framework. The inexpensive surrogate model is integrated with a small time step to guide the solution trajectory, and the full model is treated with a large time step to occasionally correct for the surrogate model error and ensure convergence. Here, we provide a theoretical error analysis, and several numerical experiments, to show that this approach can be significantly more efficient than using only the full or only the surrogate model for the integration.

Surrogate models↗
DOE OSTI2025

Many-body expansion based machine learning models for octahedral transition metal complexes

Abstract Graph-based machine learning (ML) models for material properties show great potential to accelerate virtual high-throughput screening of large chemical spaces. However, in their simplest forms, graph-based models do not include any 3D information and are unable to distinguish stereoisomers such as those arising from different orderings of ligands around a metal center in coordination complexes. In this work we present a modification to revised autocorrelation descriptors, a molecular graph featurization method, for predicting spin state dependent properties of octahedral transition metal complexes (TMCs). Inspired by analytical semi-empirical models for TMCs, the new modeling strategy is based on the many-body expansion (MBE) and allows one to tune the captured stereoisomer information by changing the truncation order of the MBE. We present the necessary modifications to include this approach in two commonly used ML methods, kernel ridge regression and feed-forward neural networks. On a test set composed of all possible isomers of binary TMCs, the best MBE models achieve mean absolute errors (MAEs) of 2.75 kcal mol −1 on spin-splitting energies and 0.26 eV on frontier orbital energy gaps, a 30%–40% reduction in error compared to models based on our previous approach. We also observe improved generalization to previously unseen ligands where the best-performing models exhibit MAEs of 4.00 kcal mol −1 (i.e. a 0.73 kcal mol −1 reduction) on the spin-splitting energies and 0.53 eV (i.e. a 0.10 eV reduction) on the frontier orbital energy gaps. Because the new approach incorporates insights from electronic structure theory, such as ligand additivity relationships, these models exhibit systematic generalization from homoleptic to heteroleptic complexes, allowing for efficient screening of TMC search spaces.

Meyer, Ralf (ORCID:0000000322360261)↗
NASA NTRS1985

Changes of solar luminosity and radius following secular perturbations in the convective envelope

The effect on solar models of several types of slow, spherically symmetric perturbations, acting at various depths within the convective envelope, are calculated. Results are presented on perturbations of the efficiency of convective energy transport (alpha perturbations) and on changes in the nongas component of pressure (beta perturbations). The effects of magnetic fields concentrated near the interface between the radiative core and the convective envelope are explored. It is found that the response and relaxation diagnostics depend both on the type of perturbation and on the depth at which the perturbation is applied. In addition to the general depth dependence, model behavior is sensitive to the presence of major ionization zones near the perturbed layer. The time dependence of the solar model behavior is characterized by an initial hydrostatic reaction followed by a thermal readjustment on a time scale of about 100 years, and finally relaxation to a new thermal equilibrium on a Kelvin time scale.

Endal, A. S.↗