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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Acoustic fatigue - A Monte Carlo approach

The present paper reviews the basic concepts of nonlinear structural response to surface flow and acoustic pressure inputs. A time domain solution and the Monte Carlo method are utilized to estimate the required statistics of the nonlinear response. Simulation procedures of multi-dimensional and multi-variate random processes are discussed. Application of these procedures to acoustic fatigue of flight structures are considered. Numerical examples are included to illustrate the applicability of this method for the solution of nonlinear problems.

Vaicaitis, R.↗
DOE OSTI2026

A time-parallel method for scalable heat transfer simulations of additive manufacturing

Here, a major challenge in simulating the thermal behavior in additive manufacturing processes is the disparate length and time scales between transport phenomena occurring in the melt pool and the component. A common simulation approach relies on spatial decomposition for parallel computing, but due to the nature of heat transfer in AM, where most of the computational expenditure is localized near the melt pool, the computational speedup from spatial parallelization saturates quickly. Therefore, additional parallelism by means of time-domain decomposition is needed to fully take advantage of high-performance computing (HPC) resources. This work introduces a time-parallel method to improve the computational scalability of additive manufacturing simulations on HPC systems, while maintaining high temporal resolution of heat transfer near the melt pool. The method, inspired by the nonlinear paraexp formalism, performs an iterative superposition of nonlinear solutions to the initial value problem, integrating the heat equation across overlapping time-parallel intervals. For a single layer of the NIST AMB2018–01 L7 benchmark problem, the method achieves a 38.51x speedup in wall-clock time with a maximum error in the global temperature solution of 0.99%. This reduces the total solution time from 196.72 min to 5.11 min on 128 nodes of the ORNL Frontier supercomputer. The tradeoff between accuracy and total wall-clock time is investigated and recommendations for time-parallel deployment for AM problems are made.

Additive manufacturing↗
DOE OSTI2021

The LSST DESC DC2 Simulated Sky Survey

Here, we describe the simulated sky survey underlying the second data challenge (DC2) carried out in preparation for analysis of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) by the LSST Dark Energy Science Collaboration (LSST DESC). Significant connections across multiple science domains will be a hallmark of LSST; the DC2 program represents a unique modeling effort that stresses this interconnectivity in a way that has not been attempted before. This effort encompasses a full end-to-end approach: starting from a large N-body simulation, through setting up LSST-like observations including realistic cadences, through image simulations, and finally processing with Rubin's LSST Science Pipelines. This last step ensures that we generate data products resembling those to be delivered by the Rubin Observatory as closely as is currently possible. The simulated DC2 sky survey covers six optical bands in a wide-fast-deep area of approximately 300 deg 2 , as well as a deep drilling field of approximately 1 deg 2 . We simulate 5 yr of the planned 10 yr survey. The DC2 sky survey has multiple purposes. First, the LSST DESC working groups can use the data set to develop a range of DESC analysis pipelines to prepare for the advent of actual data. Second, it serves as a realistic test bed for the image processing software under development for LSST by the Rubin Observatory. In particular, simulated data provide a controlled way to investigate certain image-level systematic effects. Finally, the DC2 sky survey enables the exploration of new scientific ideas in both static and time domain cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

PyJMAK: An Open-Source Python Toolkit for Modeling Solid-State Metallurgical Phase Transformations

Accurate prediction of metallurgical phase transformations is an essential basis for autonomous optimization and rapid part qualification. Several methods can be used to estimate the evolution of phase fractions such as JMAK kinetics-based models, phase-field models, thermodynamic models, and data-driven machine learning models. Thermodynamic and phase-field-based methodologies solve multiphysics equations requiring numerous calibration parameters and significant computational resources. As a result, the computation domain is limited to a point or on order of micron-meters. The data-driven models rely on large datasets from experiments and simulations. While the JMAK model only provides information about phase fraction evolution, it can predict this evolution in near real-time using thermal history and thermodynamic data without restriction on the domain. JMAK models have been popularly used by researchers to model phase transformations occuring during additive manufacturing or over arbitrary temperature profiles. Commercial proprietary software such as Abaqus and Ansys or closed-source in-house implementations offer the ability to model JMAK based kinetics to predict phase transformation. However, these software packages are not open-source or freely available for use and development in conjunction with manufacturing machines, sensors, and machine learning algorithms. In addition, the use of the model is restricted by a license token. In contrast, given temperature profiles at multiple points in the domain, this Python-based PyJMAK model can compute phase evolution in parallel due to its stand-alone modular, voxel-based structure, and it can be executed on high-performance computing resources without any license restrictions.

Prabhune, Bhagya [Oak Ridge National Laboratory (O↗
DOE OSTI2023

Examining the Feasibility of Modeling the Inner Current Loop of a Grid-Following Inverter in the Phasor-Based Solver

Historically, when modeling a grid-following (GFL) inverter in the phasor domain, the fast inner current loop is typically ignored. To achieve a more accurate modeling, the authors have attempted to model the inner current loop in the phasor domain, but experienced significant numerical stability issues. This paper conducts a detailed analysis and provides insight into the feasibility of modeling the inner current loop of a GFL inverter in the phasor domain. It points out that: a) because of the neglection of the inverter filter dynamic, the bandwidth of the inner current loop becomes infinite with typical parameters in the phasor domain, resulting in an inaccurate representation of the actual inner current loop, whose bandwidth is typically between 600 Hz to 2 kHz, and b) the relatively large simulation time step in the phasor simulation causes numerical stability issues when simulating such an inner current loop with an infinite bandwidth. Detailed electromagnetic (EMT) and phasor modeling, and frequency response analysis are performed to explain this phenomenon. The findings of this paper explain why it is inappropriate to model the fast current loop of a GFL inverter in the phasor domain.

Mohiuddin, Sheik Mohammad↗
DOE OSTI2025

Hard–Soft Acid–Base Theory Explains Photoexcited Carrier Dynamics in Porphyrin/CNT Nanohybrids: Time-Domain Atomistic Analysis

We employ the fundamental chemical concepts of hard− soft acid−base to formulate general principles governing excited-state dynamics in zinc porphyrin (ZnP)/carbon nanotube (CNT) hybrids for energy photoconversion. Atomistic quantum dynamics simulations demonstrate that electron-withdrawing and donating substituents at the ZnP β-pyrrolic position strongly influence the dynamics. ZnP photoexcitation produces subpicosecond electron transfer (ET) from ZnP to CNT, in agreement with the experiment. Substitutions of CN by H and tBu accelerate the ET. The trend is directly related to the hard−soft acid−base concept because the soft−soft interaction between the t Bu- ZnP acid and the mild CNT base enhances the donor−acceptor coupling. Longer coherence and more active vibrational modes facilitate the ET in t Bu-ZnP/CNT. Electron−hole recombination in CN-ZnP/CNT occurs on a hundred picosecond time scale, nicely corroborated by the experiment. The exciton lifetime is extended beyond a nanosecond by the substitutions. The soft−soft interaction in t Bu-ZnP/ CNT increases the splitting between the highest occupied orbitals of the two subsystems, reduces their mixing, and decreases nonadiabatic coupling between the ground and excited states. Rapid decoherence and involvement of low-frequency vibrations favor longer lifetimes. Our investigation reveals that larger p K a of the β-pyrrolic acid gives rapid ET and slow recombination and provides detailed mechanistic information, essential for future optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Computation of acoustic waves in a jet

A numerical treatment of acoustic waves in a jet is described. The full time dependent Euler equations are used in both linear and nonlinear formulations. The computational region of integration is artificially bounded and boundary conditions are developed to simulate outgoing waves and to enable the computational domain to be substantially restricted. Higher order methods and coordinate transformations are introduced to further reduce the number of grid points as well as to increase the efficiency of the program. Numerical results are presented for time harmonic sources as well as for sources with more complicated time dependence.

Bayliss, A.↗
DOE OSTI2020

Localized Exponential Time Differencing Method for Shallow Water Equations: Algorithms and Numerical Study

Here, we explore the performance of the exponential time differencing (ETD) method applied to the rotating shallow water equations. Comparing with explicit time stepping of the same order accuracy in time, the ETD algorithms could reduce the computational time in many cases by allowing the use of large time step sizes while still maintaining numerical stability. To accelerate the ETD simulations, we propose a localized approach that synthesizes the ETD method and overlapping domain decomposition. By dividing the original problem into many subdomain problems of smaller sizes and solving them locally, the proposed approach could speed up the calculation of matrix exponential vector products. Several standard test cases for shallow water equations of one or multiple layers are considered. The results show great potential of the localized ETD method for high-performance computing because each subdomain problem can be naturally solved in parallel at every time step.

58 GEOSCIENCES↗
DOE OSTI2021

A Segregated Approach for Modeling the Electrochemistry in the 3-D Microstructure of Li-Ion Batteries and Its Acceleration Using Block Preconditioners

Abstract Battery performance is strongly correlated with electrode microstructure. Electrode materials for lithium-ion batteries have complex microstructure geometries that require millions of degrees of freedom to solve the electrochemical system at the microstructure scale. A fast-iterative solver with an appropriate preconditioner is then required to simulate large representative volume in a reasonable time. In this work, a finite element electrochemical model is developed to resolve the concentration and potential within the electrode active materials and the electrolyte domains at the microstructure scale, with an emphasis on numerical stability and scaling performances. The block Gauss-Seidel (BGS) numerical method is implemented because the system of equations within the electrodes is coupled only through the nonlinear Butler–Volmer equation, which governs the electrochemical reaction at the interface between the domains. The best solution strategy found in this work consists of splitting the system into two blocks—one for the concentration and one for the potential field—and then performing block generalized minimal residual preconditioned with algebraic multigrid, using the FEniCS and the Portable, Extensible Toolkit for Scientific Computation libraries. Significant improvements in terms of time to solution (six times faster) and memory usage (halving) are achieved compared with the MUltifrontal Massively Parallel sparse direct Solver. Additionally, BGS experiences decent strong parallel scaling within the electrode domains. Last, the system of equations is modified to specifically address numerical instability induced by electrolyte depletion, which is particularly valuable for simulating fast-charge scenarios relevant for automotive application.

25 ENERGY STORAGE↗
NASA NTRS1987

Mapping a battlefield simulation onto message-passing parallel architectures

Perhaps the most critical problem in distributed simulation is that of mapping: without an effective mapping of workload to processors the speedup potential of parallel processing cannot be realized. Mapping a simulation onto a message-passing architecture is especially difficult when the computational workload dynamically changes as a function of time and space; this is exactly the situation faced by battlefield simulations. This paper studies an approach where the simulated battlefield domain is first partitioned into many regions of equal size; typically there are more regions than processors. The regions are then assigned to processors; a processor is responsible for performing all simulation activity associated with the regions. The assignment algorithm is quite simple and attempts to balance load by exploiting locality of workload intensity. The performance of this technique is studied on a simple battlefield simulation implemented on the Flex/32 multiprocessor. Measurements show that the proposed method achieves reasonable processor efficiencies. Furthermore, the method shows promise for use in dynamic remapping of the simulation.

Nicol, David M.↗
NASA NTRS1993

MARIKA - A model revision system using qualitative analysis of simulations

This paper describes portions of a novel system called MARIKA (Model Analysis and Revision of Implicit Key Assumptions) to automatically revise a model of the normal human orientation system. The revision is based on analysis of discrepancies between experimental results and computer simulations. The discrepancies are calculated from qualitative analysis of quantitative simulations. The experimental and simulated time series are first discretized in time segments. Each segment is then approximated by linear combinations of simple shapes. The domain theory and knowledge are represented as a constraint network. Incompatibilities detected during constraint propagation within the network yield both parameter and structural model alterations. Interestingly, MARIKA diagnosed a data set from the Massachusetts Eye and Ear Infirmary Vestibular Laboratory as abnormal though the data was tagged as normal. Published results from other laboratories confirmed the finding. These encouraging results could lead to a useful clinical vestibular tool and to a scientific discovery system for space vestibular adaptation.

Groleau, Nicolas↗
NASA NTRS2002

System IDentification Programs for AirCraft (SIDPAC)

A collection of computer programs for aircraft system identification is described and demonstrated. The programs, collectively called System IDentification Programs for AirCraft, or SIDPAC, were developed in MATLAB as m-file functions. SIDPAC has been used successfully at NASA Langley Research Center with data from many different flight test programs and wind tunnel experiments. SIDPAC includes routines for experiment design, data conditioning, data compatibility analysis, model structure determination, equation-error and output-error parameter estimation in both the time and frequency domains, real-time and recursive parameter estimation, low order equivalent system identification, estimated parameter error calculation, linear and nonlinear simulation, plotting, and 3-D visualization. An overview of SIDPAC capabilities is provided, along with a demonstration of the use of SIDPAC with real flight test data from the NASA Glenn Twin Otter aircraft. The SIDPAC software is available without charge to U.S. citizens by request to the author, contingent on the requestor completing a NASA software usage agreement.

Morelli, Eugene A.↗
NASA NTRS2003

On the Determination of Local Sites for Shallow Ground Water Prospection Using Low Frequency Sounding Radars on Mars

Low frequency sounding radars should be able to probe the Martian subsurface layers down to varying depths, depending on the geo-electrical properties of the sounded sites. We present in this work four frequency dependent geo-electrical models of the Martian subsurface in the 1-20 MHz frequency band, based on laboratory electromagnetic characterization of Martian soil analogues. Those models correspond to local Martian sites, where we considered particular interest for the search of water using mainly the Ground Penetrating Radar (GPR) instrument of the Netlander mission. Results and discussion are also valid for both sounding experiments MARSIS and SHARAD. The four models of the Martian subsurface are designed to represent terrains where recent fluvial like features suggest the presence of near subsurface ground ice and probably liquid water. We performed measurements on volcanic and sedimentary materials that may be present on these sites under the appropriate geophysical conditions that may exist in those terrains. We then simulated the backscattered radar echo arising from each site in the 2 MHz frequency band, using the Finite Difference Time Domain (FDTD) algorithm, in order to evaluate the instrument performances to probe the subsurface stratigraphy of each site. Our results confirm that the near subsurface rich iron oxide mineralogy controls the instrument performances in terms of penetration depth and signal to noise ratio in the 2 MHz frequency band. We also discuss the geophysical and geo-electrical sounding conditions that could lead to an ambiguous detection of shallow subsurface water on Mars for the Netlander GPR. Finally we hope to present by the conference time a terrestrial test analogue site selected according to those creteria where deep sub-surface water have been detected 600 m deep using a prototype of the 2 MHz Netlander GPR in a field survey performed last febrary in the eastern part of the Egyptian desert.

Heggy, E.↗
NASA NTRSDate not supplied

High-Fidelity Flight Dynamic Analysis of Transonic Truss-Braced Wing

This paper presents a high-fidelity flight dynamic analysis of the Mach 0.8 Transonic Truss-Braced Wing (TTBW). Unsteady RANS CFD simulations of the Mach 0.8 TTBW in pitch, plunge, roll, and yaw oscillations are conducted in FUN3D. The time-domain data are transformed into the frequency-domain data by Fourier series. Transfer functions of the dynamic stability derivatives are then estimated by a frequency-domain re- gression. The dynamic stability derivatives with respect to the angle of attack are determined by the regression of the unsteady aerodynamic coefficients for the plunge motion. The dynamic stability derivatives with re- spect to the pitch rate are determined by the regression of the differential unsteady aerodynamic coefficients for the pitch motion upon the removal of the angle of attack contribution by the plunge motion. Similarly, dynamic stability derivatives with respect to the angle of sideslip, roll rate, and yaw rates are determined from the frequency domain regression. The longitudinal and lateral-direction flight dynamic models of the Mach 0.8 TTBW are constructed from these dynamic stability derivatives. The eigenvalues of the aircraft modes are analyzed to determine the vehicle stability.

Aircraft Stability and Control↗
NASA NTRS1980

Three-dimensional time-dependent simulations of hydro-thermal behaviour of Biscayne Bay

The purpose of the paper is to evaluate the performance of rigid-lid formulations in predicting velocity and temperature fields in domains where the applicability of rigid-lid formulations is not immediately obvious. A test was conducted to determine whether local depth scaled vertical exchange coefficients yield better simulations compared to constant vertical coefficient formulations. Extensive infrared imagery was used to evaluate the model's ability to predict temperature yields in Biscayne Bay, Fla. Two cases, one with constant vertical eddy transport coefficient, and the other with vertical transport coefficient scaled with local depth are discussed.

Sengupta, S.↗
NASA NTRS1990

Validation of the dynamic response of a blade-element UH-60 simulation model in hovering flight

The dynamic fidelity of an operational blade-element simulation model of the UH-60 helicopter is assessed for the hovering and low-speed flight regimes. Nonparametric frequency-domain identification techniques and time-history comparisons are used to determine the validity of total-vehicle on-axis and coupled responses. A dedicated flight-test program was conducted to provide data used in the analysis. The flight-test techniques and data verification methods employed are briefly described. Frequency-domain methods are applied to the model and to several model components in order to isolate deficiencies and verify refinements and corrections. Model deficiencies are also identified by using side-by-side pilot assessments of a motion-base simulation and of a test aircraft. Model updates are found to significantly improve fidelity in the frequency range that is of interest to handling-qualities research. The applicability of the model to high-bandwidth flight-control research is also discussed.

Dalang-Secretan, Marie-Alix↗
DOE OSTI2021

Intermediate scattering functions of a rigid body monoclonal antibody protein in solution studied by dissipative particle dynamic simulation

In the past decade, there was increased research interest in studying internal motions of flexible proteins in solution using Neutron Spin Echo (NSE) as NSE can simultaneously probe the dynamics at the length and time scales comparable to protein domain motions. However, the collective intermediate scattering function (ISF) measured by NSE has the contributions from translational, rotational, and internal motions, which are rather complicated to be separated. Widely used NSE theories to interpret experimental data usually assume that the translational and rotational motions of a rigid particle are decoupled and independent to each other. To evaluate the accuracy of this approximation for monoclonal antibody (mAb) proteins in solution, dissipative particle dynamic computer simulation is used here to simulate a rigid-body mAb for up to about 200 ns. The total ISF together with the ISFs due to only the translational and rotational motions as well as their corresponding effective diffusion coefficients is calculated. The aforementioned approximation introduces appreciable errors to the calculated effective diffusion coefficients and the ISFs. For the effective diffusion coefficient, the error introduced by this approximation can be as large as about 10% even though the overall agreement is considered reasonable. Thus, we need to be cautious when interpreting the data with a small signal change. In addition, the accuracy of the calculated ISFs due to the finite computer simulation time is also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Characterizing patterns and variability of building electric load profiles in time and frequency domains

The rapid development of advanced metering infrastructure provides a new data source—building electrical load profiles with high temporal resolution. Electric load profile characterization can generate useful information to enhance building energy modeling and provide metrics to represent patterns and variability of load profiles. Such characterizations can be used to identify changes to building electricity demand due to operations or faulty equipment and controls. In this study, we proposed a two-path approach to analyze high temporal resolution building electrical load profiles: (1) time-domain analysis and (2) frequency-domain analysis. Furthermore, the commonly adopted time-domain analysis can extract and quantify the distribution of key parameters characterizing load shape such as peak-base load ratio and morning rise time, while a frequency-domain analysis can identify major periodic fluctuations and quantify load variability. We implemented and evaluated both paths using whole-year 15-minute interval smart meter data of 188 commercial office building in Northern California. The results from these two paths are consistent with each other and complementary to represent full dynamics of load profiles. The time- and frequency-domain analyses can be used to enhance building energy modeling by: (1) providing more realistic assumptions about building operation schedules, and (2) validating the simulated electric load profiles using the developed variability metrics against the real building load data.

24 POWER TRANSMISSION AND DISTRIBUTION↗