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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Predicting interface structure using the minima hopping method

Here, we adapt the minima hopping method (MHM) to the problem of interfacial structure prediction and apply it to study a canonical problem, the tilt grain boundaries in SrTiO 3 . Our method employs a hybrid approach by first exploring the potential energy surface (PES) of different grain boundary samplings with an empirical force field, among which the fifteen candidates with lower energies are then refined using ab initio density functional theory (DFT) calculations. During the exploratory stage, we bias the search using a local order parameter to primarily sample various reconstructions in the vicinity of the interface, while preserving the crystallinity of the bulk regions. We further enhance the search by incorporating initial structures with rigid body displacements to account for translational variations between bulk phases, enabling the MHM to effectively generate both stoichiometric and nonstoichiometric SrTiO 3 Σ⁢3(111)[110] and Σ⁢3(112)[110] grain boundaries. From an algorithmic standpoint, MHM outperforms earlier studies based on genetic algorithms (GA) by identifying more stable interfacial structures of several SrTiO 3 grain boundaries. The performance of the present implementation of the MHM approach is primarily limited by exploring an approximate description of the PES with a rather simple Buckingham potential. This limitation leads to variations in performance when compared to approaches utilizing more advanced surrogate PES models, such as direct DFT-PES sampling or GA with the embedded atom method (EAM). Despite the present limitations, the MHM approach is able to yield interfacial structures with comparable or lower interfacial energies in specific cases, such as Σ⁢3(111)[110] Γ=1, ±0.5 and Σ⁢3(112)[110] Γ= ±1, −2, underscoring the robustness of the MHM approach even with a simple approximation of the DFT PES. The MHM interfacial structure prediction method thus offers an efficient approach to understanding the grain boundaries and heterointerfaces at the atomic scale, providing an important prerequisite for effective materials design.

density functional theory↗
DOE OSTI2026

Discovery of Probabilistic Dirichlet-to-Neumann Maps on Graphs

Dirichlet-to-Neumann maps enable the coupling of multiphysics simulations across computational subdomains by ensuring continuity of state variables and fluxes at artificial interfaces. We present a novel method for learning Dirichlet-to-Neumann maps on graphs using Gaussian processes, specifically for problems where the data obey a conservation law arising from an underlying partial differential equation. Our approach combines discrete exterior calculus and nonlinear optimal recovery to infer relationships between vertex and edge values. This framework yields data-driven predictions with uncertainty quantification across the entire graph, even when observations are limited to a subset of vertices and edges. By minimizing the reproducing kernel Hilbert space norm while penalizing kernel complexity through maximum likelihood estimation, our method ensures that the resulting surrogate strictly enforces conservation laws without overfitting. We demonstrate our method on two representative applications: subsurface flow in fracture networks and arterial blood flow. Finally, the results demonstrate that the method maintains high accuracy and well-calibrated uncertainty estimates even under severe data scarcity, highlighting its potential for scientific applications where limited data and reliable uncertainty quantification are critical.

Dirichlet-to-Neumann map↗
DOE OSTI2022

Sulfur TES ML [SWR-23-02]

Sulfur TES ML contains code originally created to develop surrogate ML models to mimic the utility of CFD simulations of Sulfur TES systems. It has been adapted to provide a comprehensive package for building, training, validating, testing, and optimizing regression models with customizable features and targets.

Menear, Kevin↗
DOE OSTI2021

RAVEN regression tests' description

Regression tests for the Python RAVEN framework are found in raven/tests/framework. There is a hierarchy of folders with tests collected by similar testing. Every test is described in a special XML node (< TestInfo >) within the < Simulation > block.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

FAIR Data and Interpretable AI Framework for Architectured Metamaterials

Our interdisciplinary effort successfully generated FAIR (Findable, Accessible, Interoperable, and Reusable) benchmark datasets for mechanical metamaterials while introducing a novel Artificial Intelligence (AI) framework known as Learning Refined Compositional Rules (LRCR). This framework was specifically designed to bridge the gap across varying computational length scales and extract the underlying physical mechanisms that connect a material's structural geometry to its bulk acoustic properties. Historically, the discovery of such structured materials relied heavily on human intuition or opaque, black-box optimization algorithms that were difficult to generalize. By combining interpretable machine learning techniques with rigorous experimental validation, this project established clear, generalizable design guidelines for tuning wave dispersion and controlling vibrations. Ultimately, the public availability of these structured datasets and algorithms will significantly reduce computational costs and accelerate the design of advanced multi-functional acoustic devices, offering broad societal impacts across fields like aerospace engineering, telecommunications, and biomedical implant design.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A model-independent data assimilation (MIDA) module and its applications in ecology

Abstract. Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

58 GEOSCIENCES↗
NASA NTRS2010

Crash Test of an MD-500 Helicopter with a Deployable Energy Absorber Concept

On December 2, 2009, a full scale crash test was successfully conducted of a MD-500 helicopter at the NASA Langley Research Center Landing and Impact Research Facility . The purpose of this test was to evaluate a novel composite honeycomb deployable energy absorbing (DEA) concept for attenuation of structural and crew loads during helicopter crashes under realistic crash conditions. The DEA concept is an alternative to external airbags, and absorbs impact energy through crushing. In the test, the helicopter impacted the concrete surface with 11.83 m/s (38.8 ft/s) horizontal, 7.80 m/s (25.6 ft/s) vertical and 0.15 m/s (0.5 ft/s) lateral velocities; corresponding to a resultant velocity of 14.2 m/s (46.5 ft/s). The airframe and skid gear were instrumented with accelerometers and strain gages to determine structural integrity and load attenuation, while the skin of the airframe was covered with targets for use by photogrammetry to record gross vehicle motion before, during, and after the impact. Along with the collection of airframe data, one Hybrid III 50th percentile anthropomorphic test device (ATD), two Hybrid II 50th percentile ATDs and a specialized human surrogate torso model (HSTM) occupant were seated in the airframe and instrumented for the collection of occupant loads. Resultant occupant data showed that by using the DEA, the loads on the Hybrid II and Hybrid III ATDs were in the Low Risk regime for the injury criteria, while structural data showed the airframe retained its structural integrity post crash. Preliminary results show that the DEA is a viable concept for the attenuation of impact loads.

Littell, Justin D.↗
NASA NTRS2013

Weight Assessment for Fuselage Shielding on Aircraft With Open-Rotor Engines and Composite Blade Loss

The Federal Aviation Administration (FAA) has been engaged in discussions with airframe and engine manufacturers concerning regulations that would apply to new technology fuel efficient "openrotor" engines. Existing regulations for the engines and airframe did not envision features of these engines that include eliminating the fan blade containment systems and including two rows of counter-rotating blades. Damage to the airframe from a failed blade could potentially be catastrophic. Therefore the feasibility of using aircraft fuselage shielding was investigated. In order to establish the feasibility of this shielding, a study was conducted to provide an estimate for the fuselage shielding weight required to provide protection from an open-rotor blade loss. This estimate was generated using a two-step procedure. First, a trajectory analysis was performed to determine the blade orientation and velocity at the point of impact with the fuselage. The trajectory analysis also showed that a blade dispersion angle of 3deg bounded the probable dispersion pattern and so was used for the weight estimate. Next, a finite element impact analysis was performed to determine the required shielding thickness to prevent fuselage penetration. The impact analysis was conducted using an FAA-provided composite blade geometry. The fuselage geometry was based on a medium-sized passenger composite airframe. In the analysis, both the blade and fuselage were assumed to be constructed from a T700S/PR520 triaxially-braided composite architecture. Sufficient test data on T700S/PR520 is available to enable reliable analysis, and also demonstrate its good impact resistance properties. This system was also used in modeling the surrogate blade. The estimated additional weight required for fuselage shielding for a wing- mounted counterrotating open-rotor blade is 236 lb per aircraft. This estimate is based on the shielding material serving the dual use of shielding and fuselage structure. If the shielding material is not used for dual purpose, and is only used for shielding, then the additional weight per aircraft is estimated to be 428 lb. This weight estimate is based upon a number of assumptions that would need to be revised when applying this concept to an actual airplane design. For example, the weight savings that will result when there is no fan blade containment system, manufacturing limitations which may increase the weight where variable thicknesses was assumed, engine placement on the wing versus aft fuselage, etc.

aircraft safety↗
NASA NTRS2015

Transmission X-ray Diffraction (XRD) Patterns Relevant to the MSL Chemin Amorphous Component: Sulfates And Silicates

The Mars Science Laboratory (MSL) CheMin instrument on the Curiosity rover is a transmission X-ray diffractometer (Co-Kalpha radiation source and a approx.5deg to approx.52deg 2theta range) where the analyzed powder samples are constrained to have discrete particle diameters <150 microns by a sieve. To date, diffraction patterns have been obtained for one basaltic soil (Rocknest (RN)) and four drill fines of coherent rock (John Klein (JK), Cumberland (CB), Windjana (WJ), and Confidence Hills (CH)). The CheMin instrument has detected and quantified the abundance of both primary igneous (e.g., feldspar, olivine, and pyroxene) and secondary (e.g., Ca-sulfates, hematite, akaganeite, and Fe-saponite) minerals. The diffraction patterns of all CheMin samples are also characterized by a broad diffraction band centered near 30deg 2theta and by increasing diffraction intensity (scattering continuum) from approx.15deg to approx.5deg, the 2theta minimum. Both the broad band and the scattering continuum are attributed to the presence of an XRD amorphous component. Estimates of amorphous component abundance, based on the XRD data itself and on mass-balance calculations using APXS data crystalline component chemistry derived from XRD data, martian meteorites, and/or stoichiometry [e.g., 6-9], range from approx.20 wt.% to approx.50 wt.% of bulk sample. The APXSbased calculations show that the amorphous component is rich in volatile elements (esp. SO3) and is not simply primary basaltic glass, which was used as a surrogate to model the broad band in the RN CheMin pattern. For RN, the entire volatile inventory (except minor anhydrite) is assigned to the amorphous component because no volatile-bearing crystalline phases were reported within detection limits [2]. For JK and CB, Fesaponite, basanite, and akaganeite are volatile-bearing crystalline components. Here we report transmission XRD patterns for sulfate and silicate phases relevant to interpretation of MSL-CheMin XRD amorphous components.

Morris, R. V.↗
NASA NTRS2019

Assessment of Mixer-Ejector Nozzle with Thermal Acoustic Shield for Jet Noise Reduction

A tendency for excessive exhaust jet mixing noise from low bypass ratio turbofan engines is recognized as a key challenge in the design of commercial supersonic aircraft. In this work we investigate a unique combination of two noise mitigation methods as a novel strategy to reduce jet mixing noise. First, a thermal acoustic shield (TAS) is used to reflect high frequency acoustic waves at small angles to the jet axis; second, a mixer-ejector (ME) nozzle is used to mechanically shield noise propagating at large angles to the axis. The ME shroud also provides a convenient location for a TAS nozzle and improves TAS effectiveness by limiting the downstream extent of high frequency noise generation. In an additional benefit for a velocity-matched TAS stream, the ME allows a reduction in strength of the TAS outer shear layer which could serve as a secondary noise source. The present work provides a quantitative assessment of the ME-TAS concept, using a combination of RANS CFD simulations, acoustic analogy calculations for the farfield Green's function, and surrogate-based modeling and parameter space exploration. We first evaluate a subscale configuration, then use scaling arguments to apply subscale results to the systems-level analysis of a flight configuration; the latter configuration includes a generic low bypass ratio turbofan engine with an engine-driven electric generator for supplementary heating of the TAS stream. Additional RANS CFD calculations are performed for a notional ME-TAS geometry based on the full scale configuration, and various modeling assumptions and operational characteristics are evaluated. The ME-TAS concept is shown to provide effective shielding for high frequency jet noise, and should enable comparable noise suppression to a stand-alone ME of considerably greater length, weight and drag. In addition to investigating the integrated ME-TAS system, the present work differs from previous research into TAS and related fluidic shield concepts through the inclusion of modern numerical analysis tools and the systematic numerical examination of various design parameters.

thermal acoustic shield↗
NASA NTRS2021

A model-independent data assimilation (MIDA) module and its applications in ecology

Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

Earth system dynamics↗
NASA NTRS2024

Mission and Vehicle-Level Updates for the Parallel Electric-Gas Architecture with Synergistic Utilization Scheme (PEGASUS) Concept Aircraft

NASA created the PEGASUS concept with the goal of lowering mission energy (a surrogate for operating cost) compared to other regional aircraft by leveraging electrified aircraft propulsion (EAP). Since its inception, researchers have explored multiple facets of PEGASUS in varying fidelity but have not completed a rigorous, integrated design. The goal of this memorandum is to provide an updated design using recent studies and improved methods. This memorandum explores the initial vehicle concept and concept of operations, while considering ways to improve both the mission concept of operations and the integrated vehicle-level performance. Additionally, the design and analysis methodologies for EAP-enabled aircraft concepts are improved in several areas. This research incorporates new propulsion-airframe integration and wing weight surrogates to model the impacts of wingtip propulsors on the configuration. Detailed weight and balance calculations enable calculating dynamic stability and flight qualities within the conceptual design environment. Ultimately, the vehicle is optimized to reduce "well-to-wake" equivalent CO2, CO2e, rather than minimizing either fuel (or total energy) consumption or maximum takeoff weight. Using fuel/energy or takeoff weight leads to conflicting optima for hybrid-electric aircraft. Two aircraft are developed to provide points of comparison for PEGASUS: an advanced conventional turboprop vehicle and a hybrid-electric variant. The results show that the PEGASUS concept can reduce CO2e relative to the advanced turboprop or a hybrid-electric propulsion architecture, albeit with an increase in maximum takeoff weight. PEGASUS's maximum takeoff weight is 55% heavier than the advanced conventional turboprop but releases 18% less CO2e for a 400 nmi mission. Over the same mission, PEGASUS's maximum takeoff weight is 47% heavier than the comparator hybrid-electric vehicle but releases 12% less CO2e. This study shows that the PEGASUS configuration reduces CO2e through its use of wingtip propulsors and that its benefit is not solely a result of switching to a hybrid-electric propulsion architecture. PEGASUS achieves this reduction in CO2e while maintaining satisfactory Level 1 or 2 flight qualities for all of its longitudinal- and lateral-directional modes.

Hybrid-electric↗