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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
NASA NTRS1993

Symposium on Parallel Computational Methods for Large-scale Structural Analysis and Design, 2nd, Norfolk, VA, US

Computing speed is leaping forward by several orders of magnitude each decade. Engineers and scientists gathered at a NASA Langley symposium to discuss these exciting trends as they apply to parallel computational methods for large-scale structural analysis and design. Among the topics discussed were: large-scale static analysis; dynamic, transient, and thermal analysis; domain decomposition (substructuring); and nonlinear and numerical methods.

Storaasli, Olaf O.↗
NASA NTRS1996

SEADYN Analysis of a Tow Line for a High Altitude Towed Glider

The concept of using a system, consisting of a tow aircraft, glider and tow line, which would enable subsonic flight at altitudes above 24 km (78 kft) has previously been investigated. The preliminary results from these studies seem encouraging. Under certain conditions these studies indicate the concept is feasible. However, the previous studies did not accurately take into account the forces acting on the tow line. Therefore in order to investigate the concept further a more detailed analysis was needed. The code that was selected was the SEADYN cable dynamics computer program which was developed at the Naval Facilities Engineering Service Center. The program is a finite element based structural analysis code that was developed over a period of 10 years. The results have been validated by the Navy in both laboratory and at actual sea conditions. This code was used to simulate arbitrarily-configured cable structures subjected to excitations encountered in real-world operations. The Navy's interest was mainly for modeling underwater tow lines, however the code is also usable for tow lines in air when the change in fluid properties is taken into account. For underwater applications the fluid properties are basically constant over the length of the tow line. For the tow aircraft/glider application the change in fluid properties is considerable along the length of the tow line. Therefore the code had to be modified in order to take into account the variation in atmospheric properties that would be encountered in this application. This modification consisted of adding a variable density to the fluid based on the altitude of the node being calculated. This change in the way the code handled the fluid density had no effect on the method of calculation or any other factor related to the codes validation.

Colozza, Anthony J.↗
NASA NTRS2003

Embedded Wing Propulsion Conceptual Study

As a part of distributed propulsion work under NASA's Revolutionary Aeropropulsion Concepts or RAC project, a new propulsion-airframe integrated vehicle concept called Embedded Wing Propulsion (EWP) is developed and examined through system and computational fluid dynamics (CFD) studies. The idea behind the concept is to fully integrate a propulsion system within a wing structure so that the aircraft takes full benefits of coupling of wing aerodynamics and the propulsion thrust stream. The objective of this study is to assess the feasibility of the EWP concept applied to large transport aircraft such as the Blended-Wing-Body aircraft. In this paper, some of early analysis and current status of the study are presented. In addition, other current activities of distributed propulsion under the RAC project are briefly discussed.

Kim, Hyun D.↗
NASA NTRS2002

Signal-to-Noise Ratio Prediction and Validation for Space Shuttle GPS Flight Experiment

A deterministic method for Space Station Global Positioning System (GPS) Signal-To- Noise Ratio (SNR) predictions is proposed. The complex electromagnetic interactions between GPS antennas and surrounding Space Station structures are taken into account by computational electromagnetic technique. This computer simulator is capable of taking into account multipath effects from dynamically changed solar panels and thermal radiators. A comparison with recent collected Space Station GPS system flight experiment data is presented. The simulation results are in close agreement with flight data.

Hwu, Shian U.↗
NASA NTRSDate not supplied

Exploring the Impact of Sideslip Angle on Acoustic Predictions of an Open Rotor System Using Scale-Resolving Simulations

The development of innovative open-rotor propulsion systems that meet performance, fuel efficiency, and noise standards for commercial use depends significantly on the availability of reliable and computationally efficient tools for aerodynamic performance and noise prediction.This investigation demonstrates the capability of the structured curvilinear overset gridComputational Fluid Dynamics solver within the Launch, Ascent, and Vehicle Aerodynamics framework to predict the aerodynamic and aeroacoustic characteristics of a Contra-RotatingOpen Rotor propulsion system under various sideslip angles. In this publication, results obtained using a Hybrid Reynolds-Averaged Navier-Stokes/Large Eddy Simulation-based scale-resolving turbulence closure approach are validated against existing experimental measurements including aerodynamic loads, moments, and tones.

AATT↗
NASA NTRS1991

Computational simulation of acoustic fatigue for hot composite structures

This paper presents predictive methods/codes for computational simulation of acoustic fatigue resistance of hot composite structures subjected to acoustic excitation emanating from an adjacent vibrating component. Select codes developed over the past two decades at the NASA Lewis Research Center are used. The codes include computation of (1) acoustic noise generated from a vibrating component, (2) degradation in material properties of the composite laminate at use temperature, (3) dynamic response of acoustically excited hot multilayered composite structure, (4) degradation in the first-ply strength of the excited structure due to acoustic loading, and (5) acoustic fatigue resistance of the excited structure, including propulsion environment. Effects of the laminate lay-up and environment on the acoustic fatigue life are evaluated. The results show that, by keeping the angled plies on the outer surface of the laminate, a substantial increase in the acoustic fatigue life is obtained. The effect of environment (temperature and moisure) is to relieve the residual stresses leading to an increase in the acoustic fatigue life of the excited panel.

Singhal, S. N.↗
DOE OSTI2023

Exploring NaCl-PuCl 3 molten salts with machine learning interatomic potentials and graph theory

Actinide molten salts are the basis of the liquid fuels used in molten salt reactors. Due to the inherent difficulties associated with high temperature and hazardous conditions, experimental investigations of fundamental properties of these materials are usually challenging. In this work, we describe the structure and transport of NaCl-PuCl 3 mixtures using computational techniques. Three compositions were considered (16, 25, and 36 mol% PuCl 3 ) over a temperature range (730 – 1257K) using ab initio molecular dynamics, which provided the necessary data sets for training machine learned interatomic potentials. Further, molecular dynamics simulations based on these potentials were then used to determine structure and transport properties. A substantial change was noted in the structure factor when increasing the PuCl 3 content from 25 to 36 mol%. This change is linked to the aggregation of larger Pu 3+ clusters. In addition, the similarity of the atomic environments of metal cations in molten salt systems to their solid states counterparts was investigated using an unsupervised learning technique. Finally, graph theory was employed to explore the structure and size of actinide networks. Consistent with the structure factor, a dense Pu 3+ intermolecular structure is observed within the 36 mol% PuCl 3 mixture. The structure of cation-cation inter-junctions is also discussed. In all cases, the diffusion of Pu 3+ is significantly lower than that of Na + and Cl - .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Machine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials: case study of thorium dioxide

Predicting materials properties of nuclear fuel compounds is a challenging task in materials science. Their thermodynamical behaviors around and above the operational temperature are essential for the design of nuclear reactors. However, they are not easy to measure, because the target temperature range is too high to perform various standard experiments safely and accurately. Moreover, theoretical methods such as first-principles calculations also suffer from the computational limitations in calculating thermodynamical properties due to their high calculation-costs and complicated electronic structures stemming from f-orbital occupations of valence electrons in actinide elements. Here, we demonstrate, for the first time, machine-learning molecular-dynamics to theoretically explore high-temperature thermodynamical properties of a nuclear fuel material, thorium dioxide. The target compound satisfies first-principles calculation accuracy because f-electron occupation coincidentally diminishes and the scheme meets sampling sufficiency because it works at the computational cost of classical molecular-dynamics levels. We prepare a set of training data using first-principles molecular dynamics with small number of atoms, which cannot directly evaluate thermodynamical properties but captures essential atomistic dynamics at the high temperature range. Then, we construct a machine-learning molecular-dynamics potential and carry out large-scale molecular-dynamics calculations. Consequently, we successfully access two kinds of thermodynamic phase transitions, namely the melting and the anomalous λ transition induced by large diffusions of oxygen atoms. Furthermore, we quantitatively reproduce various experimental data in the best agreement manner by selecting a density functional scheme known as SCAN. Our results suggest that the present scale-up simulation-scheme using machine-learning techniques opens up a new pathway on theoretical studies of not only nuclear fuel compounds, but also a variety of similar materials that contain both heavy and light elements, like thorium dioxide.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1991

Computations involving differential operators and their actions on functions

The algorithms derived by Grossmann and Larson (1989) are further developed for rewriting expressions involving differential operators. The differential operators involved arise in the local analysis of nonlinear dynamical systems. These algorithms are extended in two different directions: the algorithms are generalized so that they apply to differential operators on groups and the data structures and algorithms are developed to compute symbolically the action of differential operators on functions. Both of these generalizations are needed for applications.

Crouch, Peter E.↗
DOE OSTI2025

Unfolding of the Villin Headpiece Domain: Revealing Structural Heterogeneity with Time‐Resolved X‐Ray Solution Scattering and Markov State Modeling

Understanding protein folding pathways is crucial to deciphering the principles of protein structure and function. Here, the unfolding dynamics of the 35‐residue villin headpiece (HP35) and a norleucine‐substituted variant (2F4K) using a combination of experimental and computational techniques is investigated. Time‐resolved X‐ray solution scattering coupled with equilibrium molecular dynamics simulations and Markov state modeling reveals distinct unfolding mechanisms between the two variants: HP35 and 2F4K. Specifically, HP35 exhibits a two‐state unfolding process, whereas an intermediate state is identified for the 2F4K mutant. A Markov state model constructed from simulations is used to map atomic‐level transitions to experimental observations, providing insights into the role of sequence variations in modulating folding pathways. The findings underscore the importance of integrating experimental and computational approaches to unravel protein unfolding mechanisms between heterogenous structural ensembles.

Nijhawan, Adam K. [Department of Chemistry Northwe↗
NASA NTRS2002

Hubble Space Telescope Pointing Performance Due to Micro-Dynamic Disturbances from the NICMOS Cryogenic Cooler

The Vibration Admittance Test (VET) was performed to measure the emitted disturbances of the Near Infrared Camera and Multi-Object Spectrometer (NICMOS) Cryogenic Cooler (NCC) in preparation for NCC installation onboard the Hubble Space Telescope (HST) during Servicing Mission 3B (SM3B). Details of the VET ground-test are described, including facility characteristics, sensor complement and configuration, NCC suspension, and background noise measurements. Kinematic equations used to compute NCC mass center displacements and accelerations from raw measurements are presented, and dynamic equations of motion for the NCC VET system are developed and verified using modal test data. A MIMO linear frequency-domain analysis method is used to compute NCC-induced loads and HST boresight jitter from VET measurements. These results are verified by a nonlinear time-domain analysis approach using a high-fidelity structural dynamics and pointing control simulation for HST. NCC emitted acceleration levels not exceeding 35 micro-g rms were measured in the VET and analysis methods herein predict 3.1 milli-areseconds rms jitter for HST on-orbit. Because the NCC is predicted to become the predominant disturbance source for HST, VET results indicate that HST will continue to meet the 7 milli-arcsecond pointing stability mission requirement in the post-SM3B era.

Clapp, Brian R.↗
NASA NTRS2003

Dynamically Reconfigurable Approach to Multidisciplinary Problems

The complexity and autonomy of the constituent disciplines and the diversity of the disciplinary data formats make the task of integrating simulations into a multidisciplinary design optimization problem extremely time-consuming and difficult. We propose a dynamically reconfigurable approach to MDO problem formulation wherein an appropriate implementation of the disciplinary information results in basic computational components that can be combined into different MDO problem formulations and solution algorithms, including hybrid strategies, with relative ease. The ability to re-use the computational components is due to the special structure of the MDO problem. We believe that this structure can and should be used to formulate and solve optimization problems in the multidisciplinary context. The present work identifies the basic computational components in several MDO problem formulations and examines the dynamically reconfigurable approach in the context of a popular class of optimization methods. We show that if the disciplinary sensitivity information is implemented in a modular fashion, the transfer of sensitivity information among the formulations under study is straightforward. This enables not only experimentation with a variety of problem formations in a research environment, but also the flexible use of formulations in a production design environment.

Alexandrov, Natalie M.↗
NASA NTRS1992

Sub-domain decomposition methods and computational controls for multibody dynamical systems

This paper presents a concurrent methodology to simulate the dynamics of flexible multibody systems with a large number of degrees of freedom. A general class of open-loop structures is treated and a redundant coordinate formulation is adopted. A range space method is used in which the constraint forces are calculated using a preconditioned conjugate gradient method. By using a preconditioner motivated by the regular ordering of the directed graph of the structures, it is shown that the method is order N in the total number of coordinates of the system. The overall formulation has the advantage that it permits fine parallelization and does not rely on system topology to induce concurrency. It can be efficiently implemented on the present generation of parallel computers with a large number of processors. Validation of the method is presented via numerical simulations of space structures incorporating large number of flexible degrees of freedom.

Menon, R. G.↗
NASA NTRS2001

Development of an Innovative Algorithm for Aerodynamics-Structure Interaction Using Lattice Boltzmann Method

The lattice Boltzmann equation (LBE) is a kinetic formulation which offers an alternative computational method capable of solving fluid dynamics for various systems. Major advantages of the method are owing to the fact that the solution for the particle distribution functions is explicit, easy to implement, and the algorithm is natural to parallelize. In this final report, we summarize the works accomplished in the past three years. Since most works have been published, the technical details can be found in the literature. Brief summary will be provided in this report. In this project, a second-order accurate treatment of boundary condition in the LBE method is developed for a curved boundary and tested successfully in various 2-D and 3-D configurations. To evaluate the aerodynamic force on a body in the context of LBE method, several force evaluation schemes have been investigated. A simple momentum exchange method is shown to give reliable and accurate values for the force on a body in both 2-D and 3-D cases. Various 3-D LBE models have been assessed in terms of efficiency, accuracy, and robustness. In general, accurate 3-D results can be obtained using LBE methods. The 3-D 19-bit model is found to be the best one among the 15-bit, 19-bit, and 27-bit LBE models. To achieve desired grid resolution and to accommodate the far field boundary conditions in aerodynamics computations, a multi-block LBE method is developed by dividing the flow field into various blocks each having constant lattice spacing. Substantial contribution to the LBE method is also made through the development of a new, generalized lattice Boltzmann equation constructed in the moment space in order to improve the computational stability, detailed theoretical analysis on the stability, dispersion, and dissipation characteristics of the LBE method, and computational studies of high Reynolds number flows with singular gradients. Finally, a finite difference-based lattice Boltzmann method is developed for inviscid compressible flows.

Mei, Ren-Wei↗
NASA NTRS1988

Software engineering and Ada (Trademark) training: An implementation model for NASA

The choice of Ada for software engineering for projects such as the Space Station has resulted in government and industrial groups considering training programs that help workers become familiar with both a software culture and the intricacies of a new computer language. The questions of how much time it takes to learn software engineering with Ada, how much an organization should invest in such training, and how the training should be structured are considered. Software engineering is an emerging, dynamic discipline. It is defined by the author as the establishment and application of sound engineering environments, tools, methods, models, principles, and concepts combined with appropriate standards, guidelines, and practices to support computing which is correct, modifiable, reliable and safe, efficient, and understandable throughout the life cycle of the application. Neither the training programs needed, nor the content of such programs, have been well established. This study addresses the requirements for training for NASA personnel and recommends an implementation plan. A curriculum and a means of delivery are recommended. It is further suggested that a knowledgeable programmer may be able to learn Ada in 5 days, but that it takes 6 to 9 months to evolve into a software engineer who uses the language correctly and effectively. The curriculum and implementation plan can be adapted for each NASA Center according to the needs dictated by each project.

Legrand, Sue↗
NASA NTRS2004

Deep Moonquakes: Remaining Problems

We have recently reexamined more than 9000 United States previously unidentified seismic events catalogued during the Apollo landing missions and positively identified for the first time about 30 deep moonquake nests on the far side of the Moon. Although only a few of them are currently locatable, the relative arrival times among stations for the rest and presence or absence of seismic signals at particular stations suggest that either (a) the region within about $40\deg$ of the antipode is aseismic or (b) the deep interior of the Moon severely attenuates or deflects seismic waves. Aside from the obvious question of how to distinguish between such hypothetical models, this effort raised several more general questions concerning the use of deep moonquake signals to infer the structure and dynamics of the deep interior of the Moon. Among more important ones are: (1) How reliable are the seismic arrival picks from which to compute the seismic velocity variations in the Moon? (2) How do the possible lateral variations in seismic velocity affect the computed radial variation in seismic velocity at depth? (3) Can we tell more about the distribution and mechanism of deep moonquakes from the newly expanded database of identified deep moonquakes? Questions (1) and (2) are especially important because the inferred deep internal structure of the Moon depends critically on their answers. Answering these questions may demand additional data collected on future lunar missions, but some may be resolved with further examination of the existing data.

Nakamura, Y.↗
DOE OSTI2022

Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory

Herein, we present the first implementation of multiconfiguration pair-density functional theory (MC-PDFT) ab initio molecular dynamics. MC-PDFT is a multireference electronic structure method that in many cases has a similar accuracy (or even better accuracy) the complete active space second-order perturbation theory (CASPT2) at a significantly lower computational cost. In this study, we introduced MC-PDFT analytical gradients into the SHARC molecular dynamics program for ab initio, nonadiabatic molecular dynamics simulations. We verify our implementation by examining the intersystem crossing dynamics of thioformaldehyde, and we observe excellent agreement with recent CASPT2 and experimental findings. Moreover, with MC-PDFT, we could perform dynamics simulations with the 12 electron in 10 orbitals active space that was computationally too expensive for direct dynamics with CASPT2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Construction of dynamic stochastic simulation models using knowledge-based techniques

Over the past three decades, computer-based simulation models have proven themselves to be cost-effective alternatives to the more structured deterministic methods of systems analysis. During this time, many techniques, tools and languages for constructing computer-based simulation models have been developed. More recently, advances in knowledge-based system technology have led many researchers to note the similarities between knowledge-based programming and simulation technologies and to investigate the potential application of knowledge-based programming techniques to simulation modeling. The integration of conventional simulation techniques with knowledge-based programming techniques is discussed to provide a development environment for constructing knowledge-based simulation models. A comparison of the techniques used in the construction of dynamic stochastic simulation models and those used in the construction of knowledge-based systems provides the requirements for the environment. This leads to the design and implementation of a knowledge-based simulation development environment. These techniques were used in the construction of several knowledge-based simulation models including the Advanced Launch System Model (ALSYM).

Williams, M. Douglas↗