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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Ground based planetary research

High spatial resolution spectrophotometric observations made in the wavelength region lambda lambda 0.6 - 2.0 micrometers are used to study the Jovian and Saturnian limb darkening. Limb darkening coefficients (k) of the Minnaert function are derived for the cloud layers of both planets. A value of k = 1.0 is found for Jupiter over the entire disk while values of between 0.75 and 0.90 are found for different latitudes for Saturn. These data are used to derive geometric albedoes (G) for the various belts, zones, spots and regions observed on Jupiter and Saturn. These values of G and k are in turn used to show that an isotropic scattering model is invalid for Jupiter and that at least an asymmetric scattering function, such as the Euler function, is needed to fit the Jovian data. The Jovian scattering function is found to generally vary between 0.960 and 0.994 as a function of wavelength and the feature observed. The Saturn geometric albedoes and values of k indicate that Euler's function fails to adequately model the scattering properties of the Saturnian clouds. As a result it is suggested that simple scattering theory may not apply to the Saturn clouds or that they are better represented by a cumulus cloud model.

Source record↗
DOE OSTI2021

A model for the fragmentation kinetics of crumpled thin sheets

As a confined thin sheet crumples, it spontaneously segments into flat facets delimited by a network of ridges. Despite the apparent disorder of this process, statistical properties of crumpled sheets exhibit striking reproducibility. Experiments have shown that the total crease length accrues logarithmically when repeatedly compacting and unfolding a sheet of paper. Here, we offer insight to this unexpected result by exploring the correspondence between crumpling and fragmentation processes. We identify a physical model for the evolution of facet area and ridge length distributions of crumpled sheets, and propose a mechanism for re-fragmentation driven by geometric frustration. This mechanism establishes a feedback loop in which the facet size distribution informs the subsequent rate of fragmentation under repeated confinement, thereby producing a new size distribution. We then demonstrate the capacity of this model to reproduce the characteristic logarithmic scaling of total crease length, thereby supplying a missing physical basis for the observed phenomenon.

42 ENGINEERING↗
NASA NTRS2015

Under-Track CFD-Based Shape Optimization for a Low-Boom Demonstrator Concept

The detailed outer mold line shaping of a Mach 1.6, demonstrator-sized low-boom concept is presented. Cruise trim is incorporated a priori as part of the shaping objective, using an equivalent-area-based approach. Design work is performed using a gradient-driven optimization framework that incorporates a three-dimensional, nonlinear flow solver, a parametric geometry modeler, and sensitivities derived using the adjoint method. The shaping effort is focused on reducing the under-track sonic boom level using an inverse design approach, while simultaneously satisfying the trim requirement. Conceptual-level geometric constraints are incorporated in the optimization process, including the internal layout of fuel tanks, landing gear, engine, and crew station. Details of the model parameterization and design process are documented for both flow-through and powered states, and the performance of these optimized vehicles presented in terms of inviscid L/D, trim state, pressures in the near-field and at the ground, and predicted sonic boom loudness.

Wintzer, Mathias↗
DOE OSTI2025

Closing the Loop between In Situ Stress Complexity and EGS Fracture Complexity

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

42 ENGINEERING↗
NASA NTRS2004

Performance and Vibration of 30 cm Pyrolytic Ion Thruster Optics

Carbon has a sputter erosion rate about an order of magnitude less than that of molybdenum, over the voltages typically used in ion thruster applications. To explore its design potential, 30 cm pyrolytic carbon ion thruster optics have been fabricated geometrically similar to the molybdenum ion optics used on NSTAR. They were then installed on an NSTAR Engineering Model thruster, and experimentally evaluated over much of the original operating envelope. Ion beam currents ranged from 0.51 to 1.76 Angstroms, at total voltages up to 1280 V. The perveance, electron back-streaming limit, and screen-grid transparency were plotted for these operating points, and compared with previous data obtained with molybdenum. While thruster performance with pyrolytic carbon was quite similar to that with molybdenum, behavior variations can reasonably be explained by slight geometric differences. Following all performance measurements, the pyrolytic carbon ion optics assembly was subjected to an abbreviated vibration test. The thruster endured 9.2 g(sub rms) of random vibration along the thrust axis, similar to DS 1 acceptance levels. Despite significant grid clashing, there was no observable damage to the ion optics assembly.

Haag, Thomas↗
DOE OSTI2022

Differential geometric approaches to momentum-based formulations for fluids [Slides]

This SAND report documents CIS Late Start LDRD Project 22-0311, "Differential geometric approaches to momentum-based formulations for fluids". The project primarily developed geometric mechanics formulations for momentum-based descriptions of nonrelativistic fluids, utilizing a differential geometry/exterior calculus treatment of momentum and a space+time splitting. Specifically, the full suite of geometric mechanics formulations (variational/Lagrangian, Lie-Poisson Hamiltonian and Curl-Form Hamiltonian) were developed in terms of exterior calculus using vector-bundle valued differential forms. This was done for a fairly general version of semi-direct product theory sufficient to cover a wide range of both neutral and charged fluid models, including compressible Euler, magnetohydrodynamics and Euler-Maxwell. As a secondary goal, this project also explored the connection between geometric mechanics formulations and the more traditional Godunov form (a hyperbolic system of conservation laws). Unfortunately, this stage did not produce anything particularly interesting, due to unforeseen technical difficulties. There are two publications related to this work currently in preparation, and this work will be presented at SIAM CSE 23, at which the PI is organizing a mini-symposium on geometric mechanics formulations and structure-preserving discretizations for fluids. The logical next step is to utilize the exterior calculus based understanding of momentum coupled with geometric mechanics formulations to develop (novel) structure-preserving discretizations of momentum. This is the main subject of a successful FY23 CIS LDRD "Structure-preserving discretizations for momentum-based formulations of fluids".

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Advanced rotor computations with a corrected potential method

An unsteady Full-Potential Rotor code (FPR) has been enhanced with modifications directed at improving its drag prediction capability. The potential code has been rewritten with modifications to increase the code accuracy. Also, the shock generated entropy has been included to provide solutions comparable to the Euler equations. Two different weakly interacted boundary layer models have also been coupled to FPR in order to estimate skin-friction drag. One is a two-dimensional integral method and the other is a three-dimensional finite-difference scheme. The new flow solver is able to find accurate inviscid drags without recourse to numerical error tares. This permits the resolution of drag distributions resulting from rotor geometric variations. Good comparisons have been obtained between computed and measured torque for a rectangular and a highly swept model rotor.

Bridgeman, John O.↗
NASA NTRS1990

The mechanics of the South Iceland Seismic Zone

The mechanics of the South Iceland Seismic Zone is examined by means of boundary element modeling. The differences between the observed geometry of the major tectonically active features and that of a geometrically orthogonal ridge-transform system (which assumes that the upper part of the earth's crust is an elastic plate containing vertical cuts) are examined. It is suggested that north-south faults can accommodate transform deformation only if the faults are longer or more numerous than those observed so far. This is considered reasonable because earthquake surface rupture lengths are commonly less than the inferred fault length at depth. The South Iceland Seismic Zone is subject to sequences of large earthquake every 45-112 years. In comparing the seismic moment release derived from earthquake magnitudes with that predicted by the models, it is confirmed that the system of north-south faults can act as a transform fault.

Hackman, M. Christine↗
DOE OSTI2021

Computational Modeling of Photovoltaic Mini-Modules Undergoing Accelerated Stress Testing

A finite element model of a four-cell photovoltaic mini-module was developed and compared to experimental results from an accelerated stress test protocol in order to validate that computational models can accurately represent their physical counterparts when subjected to mechanical loading and to assess mini-module representativeness against full scale photovoltaic modules. Deflected shapes across the simulated mini-modules were compared to measured mini-module shapes when subjected to various pressure loads. Displaced mini-module shape results constrained to the experimental protocols of 0.4 mm and 1.1 mm of displacement at the mini-module center were compared to experimental results of full-size modules subjected to module qualification test load levels of 1.0 kPa and 2.4 kPa, to assess if the bending of mini-modules was representative of full-sized modules under the load. Temperature cycling was incorporated into the model to simulate the impacts of stress due to thermal expansion of the backsheet and cells. A preliminary uncertainty analysis was performed to show how variations in material properties and geometric parameters change the simulation results.

computational modeling↗
DOE OSTI2024

DFT Calculation of Thermal Expansion within Debye-Grüneisen Framework Made Simple and Accurate

The density functional theory (DFT) based Debye-Grüneisen approach is a computational method used to calculate the thermodynamic properties of materials by relating the volume dependence of the Debye frequency to the Grüneisen parameter. In this study, we propose a new model to describe the volume dependence of the Grüneisen parameter. This model offers a simple yet accurate approach to predict the thermal expansion of materials within the framework of the Debye-Grüneisen theory. Specifically, for pure elements or species used as a reference system, we calibrated the parameters to reproduce the experimental coefficient of thermal expansion, heat capacity, and entropy. For compounds with arbitrary compositions, the parameters are determined by taking the arithmetic or geometric average of those obtained from the pure elements or species based on their composition. We then compared the model prediction with experiments. This allowed for a comprehensive characterization of the thermal expansion behavior of various materials.

Wang, Yi↗
DOE OSTI2020

A Preorganized Electric Field Leads to Minimal Geometrical Reorientation in the Catalytic Reaction of Ketosteroid Isomerase

Electrostatic interactions play a pivotal role in enzymatic catalysis and are increasingly modeled explicitly in computational enzyme design; nevertheless, they are challenging to measure experimentally. Using vibrational Stark effect (VSE) spectroscopy, we have measured electric fields inside the active site of the enzyme ketosteroid isomerase (KSI). These studies have shown that these fields can be unusually large, but it has been unclear to what extent they specifically stabilize the transition state (TS) relative to a ground state (GS). In the following, we use crystallography and computational modeling to show that KSI’s intrinsic electric field is nearly perfectly oriented to stabilize the geometry of its reaction’s TS. Moreover, we find that this electric field adjusts the orientation of its substrate in the ground state so that the substrate needs to only undergo minimal structural changes upon activation to its TS. This work provides evidence that the active site electric field in KSI is preorganized to facilitate catalysis and provides a template for how electrostatic preorganization can be measured in enzymatic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Development of computer models for the prediction of large distorted antenna characteristics

A program for calculating the radiation patterns of analytic reflector antennas, using geometric optics and aperture plane integration techniques, was modified and extended to include nonanalytic surfaces. The original program, while capable of predicting patterns for a variety of reflectors, both smooth and multipanelled, was subject to the restriction that the surface had to be expressed analytically, i.e., described by a set of mathematical equations. This restriction was removed by adapting a technique which allows the reflector configuration to be interpolated from a finite set of points measured on the surface. Criteria for choosing both the number and distribution of these measured surface points were developed by comparing the predicted antenna radiation patterns with measured laboratory results. Test cases involved relatively smooth as well as grossly distorted arbitrary surfaces. Finally, surface point accuracies were established by applying random error analysis to the measurement process.

Moskowitz, S. M.↗
NASA NTRS1999

Data Corrections and Wind-Tunnel Data Comparisons of a 5% TCA Model in the NASA Ames 12-ft Pressure Tunnel

The objectives of this research are: 1) To determine the effect of geometric variations near the inboard leading-edge flap on high-lift and stability and control performance data; 2) To determine Re effects on TCA (Technology Concept Aircraft) high-lift configuration for optimum high-lift and stability and control performance at takeoff, climbout, approach and landing conditions; and 3) To obtain flow-visualization data on upper surface of wing for CFD validations. This paper is presented in viewgraph form.

Zuniga, Fanny A.↗
DOE OSTI2019

Silver clusters tune up electronic properties of graphene nanoflakes: A comprehensive theoretical study

Graphene-silver composites reflect a synergic effect of both components with enhanced electronic, adsorption and catalytic properties. We introduce here the detailed theoretical study on geometric, thermodynamic and electronic properties of silver clusters Ag n (n=2–10) adsorbed on graphene nanoflakes as a model for silver-graphene composites. First, a benchmark study is performed on Ag n …coronene complexes (n=2, 4) by evaluating various functional against reported high level ab-initio method for the selection of best functional for further calculations. Then, density functional theory study at the best chosen level is performed to inquire how clustering of adsorbate attached with carbon surface can impact geometric, electronic and thermodynamic properties of silver-graphene composites. Furthermore, the interaction energies are corrected for dispersion and basis set superposition error in order to get more realistic estimate of interaction energies. In progression, we investigated the dependence of interaction energy upon cluster size and dimensionality. For Ag n …coronene, the binding energies increase monotonically as the number of atoms in the cluster increases. However, for Ag n …dodecabenzocoronene, the interaction energies show a sudden drop at Ag 7 …dodecabenzocoronene. The difference in behavior between Ag n …dodecabenzocoronene and Ag n …coronene for interaction energy is attributed to edge effect present in coronene. Furthermore, coplanar orientations of the silver clusters on polyaromatic hydrocarbons have higher interaction energies. The 2D-3D transition of the silver cluster is observed for Ag 7 …coronene. CDA analysis reveals that backdonation from dodecabenzocoronene to silver clusters is more dominant in Ag 4 –Ag 7 whereas other clusters have dominant charge transfer to dodecabenzocoronene. Charge transfer analysis via constrained density functional theory (CDFT) reveals significant energy lowering from charge donor-acceptor interactions. Further energy decomposition analysis (EDA) using absolutely-localized molecular orbitals (ALMO) suggests that, while charge-transfer is important in these systems, the sum of electrostatics, Pauli repulsion, and London dispersion are far more significant as silver cluster size increases. NCI results also support the presence of van der Waals and electrostatic interactions. The hollow top is most favorite interaction sites compared to bridge top and head top binding sites over coronene lattice. The ionization potential, electron affinity, frontier molecular orbital analysis, chemical hardness, softness, chemical potential, and Fermi levels are deliberated to verify the stability and reactivity of most stable silver-graphene composites. The remarkable outcome of the current findings makes our silver-graphene composite as a potential applicant for high performance electronic and catalytic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

The spatial distribution of ionospheric threats to WAAS integrity, 2000 – 2019: a systematic analysis

The United States’ Wide Area Augmentation System (WAAS) broadcasts data to facilitate aircraft navigation. This paper examines the spatial dependence of ionospheric disturbances that have threatened the accuracy and reliability of position estimates derived from these data over the period 2000 – 2019. We address two distinct aspects of this spatial dependence: (1) the geographic distribution of these threats, in particular, in relation to geomagnetic latitude, and (2) the geometric dependence of threats relative to the locations of the receiver sites that comprise the WAAS network. We analyze threat distributions in terms of the various means that WAAS employs to mitigate these threats, including the Extreme Storm Detector, the Moderate Storm Detector, local irregularity detectors, and the ionospheric threat model. Distinct distributions are presented for threats occurring in Solar Cycle 23 and those of Solar Cycle 24. To study the geometric dependence of threats on receiver locations, we use as a metric the distance separating a threat from the centroid of the nearest Ncentroid receivers. Large values of this metric identify threats at or beyond the edge of coverage. We conclude by discussing the implications of our results for WAAS operations.

Altshuler, Eric↗
DOE OSTI2023

Toward accurate prediction of partial-penetration laser weld performance informed by three-dimensional characterization – Part II: μCT based finite element simulations

The mechanical behavior of partial-penetration laser welds exhibits significant variability in engineering quantities such as strength and apparent ductility. Understanding the root cause of this variability is important when using such welds in engineering designs. In Part II of this work, we develop finite element simulations with geometry derived from micro-computed tomography (μCT) scans of partial-penetration 304L stainless steel laser welds that were analyzed in Part I. We use these models to study the effects of the welds’ small-scale geometry, including porosity and weld depth variability, on the structural performance metrics of weld ductility and strength under quasi-static tensile loading. We show that this small-scale geometry is the primary cause of the observed variability for these mechanical response quantities. Additionally, we explore the sensitivity of model results to the conversion of the μCT data to discretized model geometry using different segmentation algorithms, and to the effect of small-scale geometry simplifications for pore shape and weld root texture. The modeling approach outlined and results of this work may be applicable to other material systems with small-scale geometric features and defects, such as additively manufactured materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Micromechanical Surrogate Machine Learning Model for Creep Deformation Modeling

Process variability during the manufacture of gas turbine engine hot section components can significantly affect the material’s resulting microstructure. In casting, for instance, geometric variation within a component (thin sections versus thick sections, radial location) influences cooling rates and the resulting grain size. The high temperature creep response is known to be sensitive to grain size owing to a diffusional creep mechanism which occurs more readily along grain boundaries. Microstructural variation correspondingly drives mechanical behavior which propagates into component scale performance uncertainty. These factors are essential when planning inspection, maintenance, and repair strategies within a reliability framework. These benefits provide opportunities to increase overall energy efficiency through refined margins. Critically, there is an opportunity to bolster existing data-driven reliability models using physics-driven process-structure-property relations. Here we present recent work establishing a framework for evaluating the probabilistic creep performance of high-temperature materials. A novel microstructure-sensitive crystal plasticity finite element model is established that captures both grain boundary and crystallographic deformation effects. The computationally expensive physics model is calibrated using a statistical approach and this high-fidelity model is subsequently used to train a computationally efficient machine learning surrogate model. The surrogate model is essential for sampling a large ensemble of simulated structure-property pair results. The ensemble data are then mined to extract salient trends to be incorporated into a microstructure-sensitive reliability model. The proposed approach represents a novel way to capture microstructure-sensitive trends from physics-based models within a modern reliability framework.

Fernandez-Zelaia, Patxi [ORNL]↗
NASA NTRS2019

SINDA/FLUINT and Thermal Desktop Multi-Node Settled and Unsettled Propellant Tank Modeling of Zero Boil Off Test

Cryogenic propellant storage tank self-pressurization involves complex physical phenomena which are usually analytically modelled via complex multidimensional CFD (Computational Fluid Dynamics) codes. Unfortunately these codes, even when modelling axisymmetric domains, may take weeks or longer to obtain transient pressure and temperature information for relatively short periods of time (several seconds to several hours). Propellant tank storage end-to-end mission simulations can last a duration of days to weeks to months. Multi-node modelling of propellant tanks is a viable alternative to traditional CFD modelling and presents the advantage of greatly reduced run times on the order of hours and days compared to the weeks or longer for CFD codes. A multi-node model represents the fluid within the storage tank, as well as the storage tank itself, as a fluid-thermal network. This type of setup is not necessarily geometrically based. This can be accomplished using a commercial generalized fluid-thermal network code, such as SINDA/FLUINT (SF). The advantage of using a fluid-thermal network code like SF lies in its extensive ability to model the external environment of the storage tank through the graphical user interface, Thermal Desktop (TD). The total heat load into the tank may be a function of heaters and a complex radiative environment as well. Thermal Desktop may be used to address the detailed radiative environment of the tank as well as building a geometrically accurate depiction of the storage tank itself.

Thermal Desktop↗