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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Bridging reaction theory and nuclear structure in $π^±-$ 48 Ca scattering

Here, we extend the pion-nucleus multiple-scattering framework to include detailed second-order rescattering dynamics for nuclei with nonzero isospin. To account for intermediate charge-exchange and nucleon spin-flip effects, we develop a scattering potential that depends on the one- and two-body densities of the target nucleus. We compute one-body densities from coupled-cluster theory and two-body densities within the Hartree-Fock approximation. To estimate theoretical uncertainties, we employ modern nuclear Hamiltonians derived from chiral effective field theory. While the sensitivity to nuclear structure details is mild, second-order corrections are found to be sizable and essential for accurately reproducing differential cross sections measured in 𝜋 ± − 48 Ca elastic scattering within the Δ⁡(1232)-resonance region.

cluster models↗
NASA NTRS2023

Modeling the Formation and Eruption of Coronal Structures by Linking Data-Driven Magnetofrictional and MHD Simulations for AR 12673

Context .The data-driven and time-dependent modeling of coronal magnetic fields is crucial for understanding solar eruptions. These efforts are complicated by the challenges of finding a balance between physical realism and computing efficiency. One possible technique is to couple two modeling approaches. Aims . Our aim here is to showcase our progress in using time-dependent magnetofrictional model (TMFM) results as input to dynamical magnetohydrodynamic (MHD) simulations. However, due to the different evolution processes in these two models, using TMFM snapshots in an MHD simulation is nontrivial. We address these issues, both physically and numerically, discuss the incompatibility of the TMFM output to serve as the initial condition in MHD simulations, and show our methods of mitigating this. The evolution of the flux systems and the cause of the eruption are investigated. Methods . TMFM is a prevalent approach that has proven to be a very useful tool in the study of the formation of unstable structures in the solar corona. In particular, it is capable of incorporating observational data as initial and boundary conditions and requires shorter computational time compared to MHD simulations. To leverage the efficiency of data-driven TMFM and also to simulate eruptive events in the MHD framework, one can apply TMFM up to a certain time before the expected eruption(s) and then proceed with the simulation in the full or ideal MHD regime in order to more accurately capture the eruption process. Results . We show the results of a benchmark test case with a linked TMFM and MHD simulation to study the evolution of NOAA active region 12673. A rise of a twisted flux bundle through the MHD simulation domain is observed, but we find that the rate of the rise and the altitude reached depends on the time of the TMFM snapshot that was used to initialize the MHD simulation and the helicity injected into the system. The analysis suggested that torus instability and slip-running reconnection could play an important role in the eruption. Conclusions . The results show that the linkage of TMFM and zero-β MHD models can be successfully used to model the eruptive coronal magnetic fields.

F. Daei↗
DOE OSTI2022

Learning Distributed Geometric Koopman Operator for Sparse Networked Dynamical Systems

Koopman operator theory provides an alternative to study nonlinear networked dynamical systems by mapping the state space to an abstract higher dimensional space where the system evolution is linear. Recent works show the application of graph neural networks (GNNs) to learn state to object-centric embeddings and achieve centralized block-wise computation of Koopman operator (KO) under additional assumptions on the underlying agents properties and constraints on the KO structure. However, the computational complexity of learning the Koopman increases exponentially for networked systems where the number of possible system states grows in a combinatorial fashion with the number of nodes. The learning challenge is further amplified for sparse networks by two factors: 1) sample sparsity for learning the Koopman operator in the non-linear space, and 2) the divergence in the dynamics of individual nodes or from one subgraph to another. Our work aims to address these challenge by formulating the representation learning of networked dynamical systems into a multi-agent paradigm and learning the Koopman operator in a distributive manner. The computational as well as performance advantages of distributed Koopman is predominant for sparse networks whereas for fully connected networks, it is shown to coincide with the centralized one. The empirical study on rope system, network of oscillators and a synthetic power system show comparable and superior performance along with computational benefits with the state-of-the-art methods.

Mukherjee, Sayak↗
DOE OSTI2021

Predicting Hugoniot equation of state in erythritol with ab initio and reactive molecular dynamics

Erythritol has been proposed as an inert surrogate for developing theoretical and computational models to study aging in energetic materials. In this work, we present a comparison of mechanical and shock properties of erythritol computed using the ReaxFF reactive force field and from ab initio calculations employing density functional theory (DFT). We screened eight different ReaxFF parameterizations, of which the CHO parameters developed for hydrocarbon oxidation provide the most accurate predictions of mechanical properties and the crystal structure of erythritol. Further validation of the applicability of this ReaxFF parameterization for modeling erythritol is demonstrated by comparing predictions of the elastic constants, crystal structure, vibrational density of states, and Hugoniot curves against DFT calculations. The ReaxFF predictions are in close agreement with the DFT simulations for the elastic constants and shock Hugoniot when the crystal is loaded along its c axis but show as much as 30% disagreement in the elastic constants in the ab plane and 12% difference in shock pressures when shocked along the a or b crystal axes. Last, we compare thermomechanical properties predicted from classical molecular dynamics with those calculated using the quasi-harmonic approximation and show that quantum mechanical effects produce large discrepancies in the computed values of heat capacity and thermal expansion coefficients compared with classical assumptions. Combining classical molecular dynamics predictions of mechanical behavior with phonon-based calculations of thermal behaviors, we show that predicted shock-induced temperatures for pressures up to 6.5 GPa do not exceed the pressure-dependent melting point of erythritol.

Hu, Jing↗
NASA NTRS1990

Simultaneous expansion and orthogonalization of measured modes for structure identification

Tests of large structures on-orbit will be performed with measurements at a relatively few structure points. Values for the unmeasured degrees of freedom (dofs) can be estimated based on measured dofs and analytical model dynamic information. These 'expanded' mode shapes are useful for optimal-update identification and damage location as well as test/analysis correlation. A new method of expansion for test mode shape vectors is developed from the orthogonal Procrustes problem from computational linear algebra. A subspace defined by the set of measured dofs is compared to a subspace defined by mode shapes from an analytical model of the structure. The method simultaneously expands and orthogonalizes the mode shape vectors. Two demonstration problems are used to compare the new method to current expansion techniques. One demonstration uses test data from a laboratory scale-model truss structure. Performance of the new method is comparable or superior to that of the previous expansion methods which require separate orthogonalization.

Smith, Suzanne Weaver↗
NASA NTRS1992

Numerical simulation of compressor endwall and casing treatment flow phenomena

A numerical study is presented of the flow in the endwall region of a compressor blade row, in conditions of operation with both smooth and grooved endwalls. The computations are first compared to velocity field measurements in a cantilevered stator/rotating hub configuration to confirm that the salient features are captured. Computations are then interrogated to examine the tip leakage flow structure since this is a dominant feature of the endwall region. In particular, the high blockage that can exist near the endwalls at the rear of a compressor blade passage appears to be directly linked to low total pressure fluid associated with the leakage flow. The fluid dynamic action of the grooved endwall, representative of the casing treatments that have been most successful in suppressing stall, is then simulated computationally and two principal effects are identified. One is suction of the low total pressure, high blockage fluid at the rear of the passage. The second is energizing of the tip leakage flow, most notably in the core of the leakage vortex, thereby suppressing the blockage at its source.

Crook, A. J.↗
NASA NTRSDate not supplied

Reduced-Order Aerodynamic Modeling Based on CFD Frequency Responses from Multisine Inputs

A system identification analysis was performed to determine reduced-order models of a computational fluid dynamics (CFD) solver for linear aeroelastic analysis and control design. The application was to the FUN3D code and the flexible half-span wind tunnel test article, in transonic flow conditions, used in the NASA-Boeing collaboration called the Integrated Adaptive Wing Technology Maturation (IAWTM) project. Multiple inputs (structural mode displacements and control surface deflections) were simultaneously excited with orthogonal phase-optimized multisines and multiple outputs (generalized aerodynamic forces) were recorded, from which the matrix of frequency responses were computed using a single CFD run. A state-space model was then fit to the frequency response data using a maximum-likelihood estimator.

System identification↗
NASA NTRS2014

Dorothy Jorgensen - Co-Op Tour Summary

NASA is a household name in this day and age, known commonly as America's government-run powerhouse of innovation and space exploration. It is a common dream for students to be a part of NASA's workforce, but I did not realize that it was my dream until I found that I could not imagine working anywhere else. From August to December, I had the privilege of a co-op tour with NASA at the Johnson Space Center. The National Aeronautics and Space Administration (NASA) first formed in the early hysteria of the Cold War, and in its early days it received enormous funding and political support. It was America's response to the Russian Sputnik, which was a not only a stark symbol of what was suddenly possible, but also of how far behind the United States had fallen in the race for technology. The political atmosphere in the world has since changed, but NASA's drive to push the boundaries of the impossible has not faded: NASA's primary mission has been exploration for the betterment of mankind, and it works towards that mission to this day. The specific NASA site that I worked in was by a coast near Houston, TX, at the Johnson Space Center (Figure 1). I was led on my first day of work to a building dedicated to Structural Engineering (Building 13), which was where I would be spending most of my time in the months to come. It was here that I had my desk and cubicle, and would later do the bulk of my computer modeling and theoretical planning. Later that day we traveled to the Vibrations and Acoustics Test Facility (Building 49), and here I was shown the parts we would use for our technical project and the locations we would work in. I worked in the Loads and Dynamics Branch of the Structural Engineering Division, in the Engineering Directorate.

Jorgensen, Dorothy↗
NASA NTRSDate not supplied

Structure and Dynamics of Bleed-Controlled Impinging Shock/Turbulent-Boundary-Layer Interactions

Porous boundary-layer bleed is often employed to alleviate the detrimental effects of shock/turbulent-boundary-layer interactions (STBLI) in high-speed vehicles. However, outstanding questions remain on the underlying mechanisms through which bleed influences STBLI dynamics. This work addresses this knowledge gap by performing a scale-resolved Large-Eddy Simulation of an impinging STBLI controlled by discrete bleed holes. The simulation has a freestream Mach number of 2.5, an oblique shock generator angle of 8 degrees, and a Reynolds number based on the incoming momentum thickness of 2800. Bleed substantially reduces the separation size and upstream influence of the STBLI compared to the canonical, uncontrolled case. Consequently, the characteristic, low-frequency motion of STBLI-induced separation is mitigated, as revealed by wall-pressure spectra. Energy is shifted from the low frequency separation behavior to a higher-frequency signature caused by the bleed shocks and expansions. The scale-resolved simulations also reveal that these small, localized structures severely limit the turbulence production traditionally seen in the uncontrolled interaction.

computational fluid dynamics↗
DOE OSTI2023

A Sparse Distributed Gigascale Resolution Material Point Method

In this paper, we present a four-layer distributed simulation system and its adaptation to the Material Point Method (MPM). The system is built upon a performance portable C++ programming model targeting major High-Performance-Computing (HPC) platforms. A key ingredient of our system is a hierarchical block-tile-cell sparse grid data structure that is distributable to an arbitrary number of Message Passing Interface (MPI) ranks. We additionally propose strategies for efficient dynamic load balance optimization to maximize the efficiency of MPI tasks. Our simulation pipeline can easily switch among backend programming models, including OpenMP and CUDA, and can be effortlessly dispatched onto supercomputers and the cloud. Finally, we construct benchmark experiments and ablation studies on supercomputers and consumer workstations in a local network to evaluate the scalability and load balancing criteria. We demonstrate massively parallel, highly scalable, and gigascale resolution MPM simulations of up to 1.01 billion particles for less than 323.25 seconds per frame with 8 OpenSSH-connected workstations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Macroscale Control of Reactivity using 3D Printed Materials with Intrinsic Catalytic Properties

The morphology of heterogeneous catalysts can impact their performance. However, standard manufacturing methods like extrusion or pelleting offer little options for tailoring catalyst shape. Herein, stereolithographic 3D printing is used to produce catalysts with controlled topologies to enhance their performance. A series of magnetic stir-bar compartments (SBC) were 3D printed and tested as catalysts for sucrose hydrolysis. The SBC were printed using acrylic acid (AA) and 1,6-hexanediol diacrylate (HDDA) as acid sites and hydrophobic crosslinking domains, respectively. Variations in the number and tilt direction of the SBC blades produced significant changes in their apparent catalytic activities. These changes resulted from differences in the fraction of active surface effectively interacting with the reactants in solution, as revealed by computational fluid dynamics simulations. Moreover, varying HDDA:AA ratios in SBC regulated reactant-surface interactions to control catalytic activity. Overall, 3D printing catalysts enables quick performance optimization by simultaneously controlling macroscopic structure and molecular composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Scaling Field-Theoretic Simulation for Multicomponent Mixtures with Neural Operators

Multicomponent polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxation times and slow equilibration within dense mixtures, molecular dynamics simulations are typically infeasible at the spatial scales required to study the stability of mesophase structure. Polymer field theories offer an attractive alternative, but analytical calculations are only tractable for mean-field theories and nearby perturbations, constraints that become especially problematic for fluctuation-induced effects such as coacervation. Here, we show that a recently developed technique for obtaining numerical solutions to partial differential equations based on operator learning, neural operators, lends itself to a highly scalable training strategy by parallelizing per-species operator maps. We illustrate the efficacy of our approach on six-component mixtures with randomly selected compositions and that it significantly outperforms the state-of-the-art pseudospectral integrators for field-theoretic simulations, especially as polymer lengths become long.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

NERVA dynamic analysis methodology, SPRVIB

The general dynamic computer code called SPRVIB (Spring Vib) developed in support of the NERVA (nuclear engine for rocket vehicle application) program is described. Using normal mode techniques, the program computes kinematical responses of a structure caused by various combinations of harmonic and elliptic forcing functions or base excitations. Provision is made for a graphical type of force or base excitation input to the structure. A description of the required input format and a listing of the program are presented, along with several examples illustrating the use of the program. SPRVIB is written in FORTRAN 4 computer language for use on the CDC 6600 or the IBM 360/75 computers.

Vronay, D. F.↗
NASA NTRS1974

Magnetic field and electric current structure in the chromosphere

The three-dimensional vector magnetic field structure in the chromosphere above an active region is deduced by using high-resolution H-alpha filtergrams together with a simultaneous digital magnetogram. An analog model of the field is made with 400 metal wires representing field lines that outline the H-alpha structure. The height extent of the field is determined from vertical field-gradient observations around sunspots, from observed fibril heights, and from an assumption that the sources of the field are largely local. The computed electric currents (typically 10 mA/sq m) are found to flow in patterns not similar to observed features and not parallel to magnetic fields. Force structures correspond to observed solar features; the dynamics to be expected include: downward motion in bipolar areas in the lower chromosphere, an outflow of the outer chromosphere into the corona with radially outward flow above bipolar plage regions, and motion of arch filament systems.

Dravins, D.↗
NASA NTRS1973

Dynamic characterization of solid rockets

The structural dynamics of solid rockets in-general was studied. A review is given of the modes of vibration and bending that can exist for a solid propellant rocket, and a NASTRAN computer model is included. Also studied were the dynamic properties of a solid propellant, polybutadiene-acrylic acid-acrylonitrile terpolymer, which may be used in the space shuttle rocket booster. The theory of viscoelastic materials (i.e, Poisson's ratio) was employed in describing the dynamic properties of the propellant. These studies were performed for an eventual booster stage development program for the space shuttle.

Source record↗
NASA NTRS1984

Aeronautical propulsion: Present status and future directions

The advancement of aeropropulsion systems continues to provide technology to various portions of the gas turbine field. It is recognized that this area is undergoing considerale change, which will result in substantially improved gas turbine components and systems. These changes are occurring in a number of technical areas including advanced analytical and physical measurement methods, the application of large scientific computers, the dynamic modeling of components and systems, the application of integrated control systems that optimize and improve performance and system condition monitoring, and the development of new and unique materials and structures. As these areas evolve, the ways in which technology will advance, and factors affecting the design and development of new systems, will probably be considerably different than those of today. It is also anticipated that the necessary skilled work force will be different. Certainly there will be changes, but the nature, extent, and rate of those changes can only be surmised at this time.

Hartmann, M. J.↗
NASA NTRS1987

Decoupled dynamic analysis of combined systems by iterative determination of interface accelerations

A dynamic analysis technique is presented that can be used to determine the response of a discrete model of a large linear structural system composed of multiple substructures. The technique circumvents the costly computation of the modal characteristics of the combined system. This is accomplished by relying on a predictor-corrector scheme to converge iteratively to the interface accelerations of the combined system, while the equations of motions of the individual structures are integrated separately. In this regard, the temporal slopes of the interface accelerations (jerks) are computed at each time point of integration to predict the interface accelerations at the next time point. The proposed technique is exemplified by conducting a Space Shuttle landing loads analysis; the obtained numerical data demonstrate its reliability and efficiency.

Spanos, P. D.↗
NASA NTRS2012

Probabilistic Fatigue Damage Program (FATIG)

FATIG computes fatigue damage/fatigue life using the stress rms (root mean square) value, the total number of cycles, and S-N curve parameters. The damage is computed by the following methods: (a) traditional method using Miner s rule with stress cycles determined from a Rayleigh distribution up to 3*sigma; and (b) classical fatigue damage formula involving the Gamma function, which is derived from the integral version of Miner's rule. The integration is carried out over all stress amplitudes. This software solves the problem of probabilistic fatigue damage using the integral form of the Palmgren-Miner rule. The software computes fatigue life using an approach involving all stress amplitudes, up to N*sigma, as specified by the user. It can be used in the design of structural components subjected to random dynamic loading, or by any stress analyst with minimal training for fatigue life estimates of structural components.

Michalopoulos, Constantine↗