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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 361 records · Page 20

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Long-Term Vehicle Speed Prediction via Historical Traffic Data Analysis for Improved Energy Efficiency of Connected Electric Vehicles

Connected and automated vehicles (CAVs) are expected to provide enhanced safety, mobility, and energy efficiency. While abundant evidence has been accumulated showing substantial energy saving potentials of CAVs through eco-driving, traffic condition prediction has remained to be the main challenge in capitalizing the gains. The coupled power and thermal subsystems of CAVs necessitate the use of different speed preview windows for effective and integrated power and thermal management. Real-time vehicle-to-infrastructure (V2I) communications can provide an accurate speed prediction over a short prediction horizon (e.g., 30 s to 60 s), but not for a long range (e.g., over 180 s). Therefore, advanced approaches are required to develop detailed speed prediction for robust optimization-based energy management of CAVs. This paper presents an integrated speed prediction framework based on historical traffic data classification and real-time V2I communications for efficient energy management of electrified CAVs. The proposed framework provides multi-range speed predictions with different fidelity over short and long horizons. The proposed multi-range speed prediction is integrated with an economic model predictive control (MPC) strategy for the battery thermal management (BTM) of connected and automated electric vehicles (EVs). The simulation results over real-world urban driving cycles confirm the enhanced prediction performance of the proposed data classification strategy over a long prediction horizon. Despite the uncertainty in long-range CAVs’ speed predictions, the vehicle-level simulation results show that 14% and 19% energy savings can be accumulated sequentially through eco-driving and BTM optimization (eco-cooling), respectively, when compared with normal driving (i.e., human driver) and conventional BTM strategy.

Engineering↗

NASA NTRS2003

Going Places No Infrared Temperature Devices Have Gone Before

Exergen's IRt/c is a self-powered sensor that matches a thermocouple within specified temperature ranges and provides a predictable and repeatable signal outside of this specified range. Possessing an extremely fast time constant, the infrared technology allows users to measure product temperature without touching the product. The IRt/c uses a device called a thermopile to measure temperature and generate current. Traditionally, these devices are not available in a size that would be compatible with the Exergen IRt/c, based on NASA s quarterinch specifications. After going through five circuit designs to find a thermopile that would suit the IRt/c design and match the signal needed for output, Exergen maintains that it developed a model that totaled just 20 percent of the volume of the previous smallest detector in the world. Following completion of the project with Glenn, Exergen continued development of the IRt/c for other customers, spinning off a new product line called the micro IRt/c. This latest development has broadened applications for industries that previously could not use infrared thermometers due to size constraints. The first commercial use of the micro IRt/c involved an original equipment manufacturer that makes laminating machinery consisting of heated rollers in very tight spots. Accurate temperature measurement for this application requires close proximity to the heated rollers. With the micro IRt/c s 50-millisecond time constant, the manufacturer is able to gain closer access to the intended temperature targets for exact readings, thereby increasing productivity and staying ahead of competition.In a separate application, the infrared temperature sensor is being utilized for avalanche warnings in Switzerland. The IRt/c is mounted about 5 meters above the ground to measure the snow cover throughout the mountainous regions of the country.

Source record↗

NASA NTRS1975

Life prediction of thermal-mechanical fatigue using strain-range partitioning

The applicability is described of the method of Strainrange Partitioning to the life prediction of thermal-mechanical strain-cycling fatigue. An in-phase test on 316 stainless steel is analyzed as an illustrative example. The observed life is in excellent agreement with the life predicted by the method using the recently proposed Step-Stress Method of experimental partitioning, the Interation Damage Rule, and the life relationships determined at an isothermal temperature of 705 C. Implications of the study are discussed relative to the general thermal fatigue problem.

Halford, G. R.↗

NASA NTRS1990

Efficient finite element modeling of laminated composite plates based on higher-order theory

A simple and efficient three-node plate bending element for the analysis of composite laminates is developed from a variational principle. The deformations due to transverse shear and transverse normal effects are accounted for, allowing accurate predictions in the range of thin to thick plates. The methodology incorporates C(exp 0) and C(exp 1) continuous displacement approximations and yields accurate ply-by-ply predictions of all displacement, strain, and stress variables.

Tessler, Alexander↗

DOE OSTI2026

Integrated machine learning-molecular dynamics framework for electrolyte property prediction

Electrochemical stability windows determine the operating range of battery electrolytes, yet accurate prediction remains challenging because stability emerges from statistical ensembles of local solvation environments rather than single ground-state molecular structures. Traditional density functional theory calculations on energy-minimized clusters cannot capture the thermal variations in local coordination environments and geometries that govern decomposition, while SMILES-based machine learning methods lack explicit representation of three-dimensional solvation structure and ion pairing. Here, we introduce a structure-aware machine learning framework that predicts frontier orbital energies (HOMO and LUMO) directly from molecular dynamics-sampled solvation configurations, achieving sub-0.6 eV accuracy at computational costs 3–4 orders of magnitude lower than first-principles methods. Across twelve representative battery electrolytes, we demonstrate that solvent-separated and contact ion pairs exhibit strong size- and local chemistry dependent electronic stability, with variations in coordination shifts of HOMO or LUMO level by 2–3 eV, and that extended solvation structure and partially desolvated environment further modulate stability by up to 3 eV. By encoding the statistical nature of electrochemical failure through ensemble sampling of explicit solvation geometries, our approach enables high-throughput screening and rational design of next-generation battery electrolytes with mechanistic understanding of structure–property relationships.

Energy - Storage↗

NASA NTRS1977

Atmospheric model development in support of SEASAT. Volume 1: Summary of findings

Atmospheric analysis and prediction models of varying (grid) resolution were developed. The models were tested using real observational data for the purpose of assessing the impact of grid resolution on short range numerical weather prediction. The discretionary model procedures were examined so that the computational viability of SEASAT data might be enhanced during the conduct of (future) sensitivity tests. The analysis effort covers: (1) examining the procedures for allowing data to influence the analysis; (2) examining the effects of varying the weights in the analysis procedure; (3) testing and implementing procedures for solving the minimization equation in an optimal way; (4) describing the impact of grid resolution on analysis; and (5) devising and implementing numerous practical solutions to analysis problems, generally.

Kesel, P. G.↗

NASA NTRS2011

Extension of Ko Straight-Beam Displacement Theory to Deformed Shape Predictions of Slender Curved Structures

The Ko displacement theory originally developed for shape predictions of straight beams is extended to shape predictions of curved beams. The surface strains needed for shape predictions were analytically generated from finite-element nodal stress outputs. With the aid of finite-element displacement outputs, mathematical functional forms for curvature-effect correction terms are established and incorporated into straight-beam deflection equations for shape predictions of both cantilever and two-point supported curved beams. The newly established deflection equations for cantilever curved beams could provide quite accurate shape predictions for different cantilever curved beams, including the quarter-circle cantilever beam. Furthermore, the newly formulated deflection equations for two-point supported curved beams could provide accurate shape predictions for a range of two-point supported curved beams, including the full-circular ring. Accuracy of the newly developed curved-beam deflection equations is validated through shape prediction analysis of curved beams embedded in the windward shallow spherical shell of a generic crew exploration vehicle. A single-point collocation method for optimization of shape predictions is discussed in detail

Ko, William L.↗

DOE OSTI2024

Predictions of Boron Phase Stability Using an Efficient Bayesian Machine Learning Interatomic Potential

Thermodynamic phase stability of three elemental boron allotropes, i.e., α-B, β-B, and γ-B, was investigated using a Bayesian interatomic potential trained via a sparse Gaussian process (SGP). SGP potentials trained with datasets from on-the-fly active learning achieve quantum mechanical level accuracy when employed in molecular dynamics simulations to predict wide-ranging thermodynamic, structural, and vibrational properties. The simulated phase diagram (500~1400 K and 0~16 GPa) agrees with experimental measurements. The SGP-based MD simulations also successfully predicted that the B13 defect is critical in stabilizing β-B below 700 K. At higher temperatures, the entropy becomes the dominant factor, making β-B the more stable phase over α-B. Furthermore, this Letter demonstrates that SGP potentials based on a training set consisting of defect-free-only systems could make correct predictions of defect-related phenomena in solid-state crystals, paving the path to investigate crystal phase stability and transitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Effects of Size and Shape on the Tolerances for Misalignment and Probabilities for Successful Oriented Attachment of Nanoparticles

Oriented attachment (OA) of nanoparticles is an important pathway of crystal growth, but tools for quantitatively modeling OA are lacking. Here we present several simple models that relate the probability of achieving OA to basic geometric parameters such as particle size, shape, and lattice periodicity. A Moiré-domain model is applied to understand twist-misorientations between parallel surfaces, and it predicts that the range of twist angles yielding perfect OA is inversely related to the width of the contact area. This is confirmed and further developed using a surface functional model, which predicts how crystallographic registration forces drive the emergence of complex orientational energy landscapes. The energy landscapes are predicted to possess local minima that can trap particles in imperfect alignments, and these local minima become deeper and more numerous as the contact area increases, making OA more challenging for large particles. Further, a second set of models is presented to understand the sequence of events by which two crystallographic faces become co-planer after collision. We use a ‘central force approximation’ to quantitatively predict the odds of attaining coalignment between various faces when particles collide with random misalignments, and we show that in the absence of biasing forces, the probability of attaining alignment on a given face is roughly proportional to its solid angle as viewed from the center of the particle. The model predicts that OA is most favorable between well-faceted particles and becomes exceedingly unlikely for large spherical particles that express many microfacets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Machine learning elastic constants of multi-component alloys

The present manuscript explores application of machine learning methods for determining elastic constants and other derived mechanical properties of multi-component alloys. Here, a number of machine learning models, including linear regression, neural network and random forest based models, are trained and tested on a dataset of binary alloys generated using density functional theory (DFT) calculations and spanning over a large number of elemental species in the periodic table. Starting with a wide range of simple and easily accessible compositionally-averaged elemental features, a correlation-based feature selection strategy was used to systematically down-select a set of most relevant features towards the prediction of the elasticity tensor components. The true predictive performance and the associated uncertainties of the models were established by testing on unseen data and bootstrapping, respectively. A single and pair-wise feature partial dependence analysis was performed to visualize the average property trends in the multi-dimensional feature space in order to further understand the achieved predictive performance. The utility of the trained model is further demonstrated by obtaining sufficiently accurate yet highly efficient approximations for bulk modulus, Young’s modulus, shear modulus and Poisson’s ratio for alloys beyond the binary space (i.e., two-component alloys) on which the model was originally trained. More importantly, we test and validate the predictive performance of the developed model directly against the experimentally measured elastic constants of technologically relevant multi-component alloys (such as, Ni- and Ti-based alloys). Finally, utility of such a data-enabled route is demonstrated by predicting the possible range of various elastic properties for vast composition space available within the five component Ni-Cr-Fe-Mo-W alloy system in a high-throughput manner.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Conversion efficiency of soliton Kerr combs

We investigate the conversion efficiency (CE) of soliton modelocked Kerr frequency combs. Our analysis reveals three distinct scaling regimes of CE with the cavity free spectral range (FSR), which depends on the relative contributions of the coupling and propagation loss to the total cavity loss. Our measurements, for the case of critical coupling, verify our theoretical prediction over a range of FSRs and pump powers. Our numerical simulations also indicate that mode crossings have an adverse effect on the achievable CE. Our results indicate that microresonator combs operating with spacings in the electronically detectable regime are highly inefficient, which could have implications for integrated Kerr comb devices.

Jang, Jae K. (ORCID:0000000187786058)↗

DOE OSTI2025

Maps of growing season gross primary production and net ecosystem exchange for Council Road Mile Marker 71, Seward Peninsula, Alaska, [2017-2023]

This data archive is in support of the Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) publication "Integrating Characteristic Arctic Vegetation in a Land Surface Model Improves Representation of Carbon Dynamics Across a Tundra Landscape", by Murphy et al. (2025a). Murphy et al. (2025a) evaluated whether incorporating observed Arctic vegetation heterogeneity into ELM, the land model of the Department of Energy’s Energy Exascale Earth System Model (E3SM), improved simulations of tundra carbon cycling. The associated model archive can be found at Murphy et al. (2025b). The study focused on the spatial patterns and net landscape-level growing season productivity and carbon uptake. As part of this evaluation, observationally derived maps of average growing season (June–August) net ecosystem exchange (NEE) and gross primary production (GPP) were developed for the same domain. These maps, which form the dataset described here, integrate eddy covariance flux tower, remote sensing, and vegetation community data to provide spatially explicit benchmarks for model evaluation. The maps provide spatially explicit estimates of average growing season NEE and GPP across 13 tundra vegetation communities within the study domain. By combining flux tower observations with Airborne Visible-Infrared Imaging Spectrometer-Next Generation (AVIRIS-NG) hyperspectral imagery and drone-based normalized difference vegetation index (NDVI), these maps capture the heterogeneity of carbon fluxes associated with different Arctic vegetation types. While they represent average seasonal conditions rather than interannual variability, the maps provide a unique dataset for evaluating model performance, comparing vegetation community contributions to landscape-scale carbon cycling, and supporting regional analyses of Arctic carbon dynamics. This data archive contains 5 m resolution maps of vegetation communities, vegetation community average growing season GPP, and vegetation community average growing season NEE (three *.tif files), a User’s Guide (*pdf file), and Table 1 of the User’s Guide displaying vegetation community coverage and average growing season NEE and GPP values (*.csv file).

Murphy, Bailey [ORNL] (ORCID:0000000203995221)↗

DOE OSTI2021

Technical note: AQMEII4 Activity 1: evaluation of wet and dry deposition schemes as an integral part of regional-scale air quality models

We present in this technical note the research protocol for phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This research initiative is divided into two activities, collectively having three goals: (i) to define the current state of the science with respect to representations of wet and especially dry deposition in regional models, (ii) to quantify the extent to which different dry deposition parameterizations influence retrospective air pollutant concentration and flux predictions, and (iii) to identify, through the use of a common set of detailed diagnostics, sensitivity simulations, model evaluation, and reduction of input uncertainty, the specific causes for the current range of these predictions. Activity 1 is dedicated to the diagnostic evaluation of wet and dry deposition processes in regional air quality models (described in this paper), and Activity 2 to the evaluation of dry deposition point models against ozone flux measurements at multiple towers with multiyear observations (to be described in future submissions as part of the special issue on AQMEII4). The scope of this paper is to present the scientific protocols for Activity 1, as well as to summarize the technical information associated with the different dry deposition approaches used by the participating research groups of AQMEII4. In addition to describing all common aspects and data used for this multi-model evaluation activity, most importantly, we present the strategy devised to allow a common process-level comparison of dry deposition obtained from models using sometimes very different dry deposition schemes. The strategy is based on adding detailed diagnostics to the algorithms used in the dry deposition modules of existing regional air quality models, in particular archiving diagnostics specific to land use–land cover (LULC) and creating standardized LULC categories to facilitate cross-comparison of LULC-specific dry deposition parameters and processes, as well as archiving effective conductance and effective flux as means for comparing the relative influence of different pathways towards the net or total dry deposition. This new approach, along with an analysis of precipitation and wet deposition fields, will provide an unprecedented process-oriented comparison of deposition in regional air quality models. Examples of how specific dry deposition schemes used in participating models have been reduced to the common set of comparable diagnostics defined for AQMEII4 are also presented.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1976

Hot interstellar tunnels. 1: Simulation of interacting supernova remnants

The theory required to build a numerical simulation of interacting supernova remnants is developed. The hot cavities within a population of remnants will become connected, with varying ease and speed, for a variety of assumed conditions in the outer shells of old remnants. Apparently neither radiative cooling nor thermal conduction in a large-scale galactic magnetic field can destroy hot cavity regions, if they grow, faster than they are reheated by supernova shock waves, but interstellar mass motions disrupt the contiguity of extensive cavities necessary for the dispersal of these shocks over a wide volume. Monte Carlo simulations show that a quasi-equilibrium is reached in the test space within 10 million yrs of the first supernova and is characterized by an average cavity filling fraction of the interstellar volume. Aspects of this equilibrium are discussed for a range of supernova rates. Two predictions are not confirmed within this range: critical growth of hot regions to encompass the entire medium, and the efficient quenching of a remnant's expansion by interaction with other cavities.

Smith, B. W.↗

NASA NTRS1987

Measurement, data analysis and prediction of pyrotechnic shock from pin-pullers and separation joints

To evaluate the potential for spacecraft damage caused by activation of pyrotechnic mechanisms, pyrotechnic shock tests were conducted on three configurations: pin-pullers on an orthogonal double Hopkinson bar arrangement, pin-pullers on a mock-up of the HALOE (Halogen Occultation Experiment) structure, and a section of separation joint on a single Hopkinson bar. Strains and accelerations were measured. The strains were converted to output stresses, forces and moments. Acceleration shock response spectra are presented for both acceleration- and force-time signals. The devices were attached to the Hopkinson bars with adaptors, which are typical of attachments used in practice. In order to predict the effect of the adaptors, finite element models of the adaptor-bar combinations were analyzed and results are presented with regard to grid size, time interval, and frequency range required to predict the response to pulses of 10 and 100 microsecond duration.

Evans, Maria J.↗

NASA NTRS1995

Accelerated testing of space mechanisms

This report contains a review of various existing life prediction techniques used for a wide range of space mechanisms. Life prediction techniques utilized in other non-space fields such as turbine engine design are also reviewed for applicability to many space mechanism issues. The development of new concepts on how various tribological processes are involved in the life of the complex mechanisms used for space applications are examined. A 'roadmap' for the complete implementation of a tribological prediction approach for complex mechanical systems including standard procedures for test planning, analytical models for life prediction and experimental verification of the life prediction and accelerated testing techniques are discussed. A plan is presented to demonstrate a method for predicting the life and/or performance of a selected space mechanism mechanical component.

Murray, S. Frank↗

NASA NTRS2021

Technical Note: AQMEII4 Activity 1: Evaluation of Wet and Dry Deposition Schemes as an Integral Part of Regional-scale Air Quality Models

Air Quality Model Evaluation International Initiat↗

NASA NTRS2014

Range-Specific High-Resolution Mesoscale Model Setup: Data Assimilation

Mesoscale weather conditions can have an adverse effect on space launch, landing, and ground processing at the Eastern Range (ER) in Florida and Wallops Flight Facility (WFF) in Virginia. During summer, land-sea interactions across Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) lead to sea breeze front formation, which can spawn deep convection that can hinder operations and endanger personnel and resources. Many other weak locally driven low-level boundaries and their interactions with the sea breeze front and each other can also initiate deep convection in the KSC/CCAFS area. Some of these other boundaries include the Indian River breeze front, Banana River breeze front, outflows from previous convection, horizontal convective rolls, convergence lines from other inland bodies of water such as Lake Okeechobee, the trailing convergence line from convergence of sea breeze fronts due to the shape of Cape Canaveral, frictional convergence lines from the islands in the Bahamas, convergence lines from soil moisture differences, convergence lines from cloud shading, and others. All these subtle weak boundary interactions often make forecasting of operationally important weather very difficult at KSC/CCAFS during the convective season (May-Oct). These convective processes often build quickly, last a short time (60 minutes or less), and occur over small distances, all of which also poses a significant challenge to the local forecasters who are responsible for issuing weather advisories, watches, and warnings. Surface winds during the transition seasons of spring and fall pose the most difficulties for the forecasters at WFF. They also encounter problems forecasting convective activity and temperature during those seasons. Therefore, accurate mesoscale model forecasts are needed to aid in their decision making. Both the ER and WFF would benefit greatly from high-resolution mesoscale model output to better forecast a variety of unique weather phenomena. Global and national scale models cannot properly resolve important local-scale weather features at each location due to their horizontal resolutions being much too coarse. Therefore, a properly tuned model at a high resolution is needed to provide improved capability. This task is a multi-year effort in which the Applied Meteorology Unit (AMU) will tune the Weather Research and Forecasting (WRF) model individually for each range. The goal of the first year, the results of which are in this report, was to tune the WRF model based on the best model resolution and run time while using reasonable computing capabilities. To accomplish this, the ER and WFF supported the tasking of the AMU to perform a number of sensitivity tests in order to determine the best model configuration for operational use at each of the ranges to best predict winds, precipitation, and temperature (Watson 2013). This task is a continuation of that work and will provide a recommended local data assimilation (DA) and numerical forecast model design optimized for the ER and WFF to support space launch activities. The model will be optimized for local weather challenges at both ranges.

Global and national scale models↗