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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 523 records · Page 29

All sources NASA NTRS DOE OSTI

NASA NTRS1995

Coupled Aerodynamic-Thermal-Structural (CATS) Analysis

Coupled Aerodynamic-Thermal-Structural (CATS) Analysis is a focused effort within the Numerical Propulsion System Simulation (NPSS) program to streamline multidisciplinary analysis of aeropropulsion components and assemblies. Multidisciplinary analysis of axial-flow compressor performance has been selected for the initial focus of this project. CATS will permit more accurate compressor system analysis by enabling users to include thermal and mechanical effects as an integral part of the aerodynamic analysis of the compressor primary flowpath. Thus, critical details, such as the variation of blade tip clearances and the deformation of the flowpath geometry, can be more accurately modeled and included in the aerodynamic analyses. The benefits of this coupled analysis capability are (1) performance and stall line predictions are improved by the inclusion of tip clearances and hot geometries, (2) design alternatives can be readily analyzed, and (3) higher fidelity analysis by researchers in various disciplines is possible. The goals for this project are a 10-percent improvement in stall margin predictions and a 2:1 speed-up in multidisciplinary analysis times. Working cooperatively with Pratt & Whitney, the Lewis CATS team defined the engineering processes and identified the software products necessary for streamlining these processes. The basic approach is to integrate the aerodynamic, thermal, and structural computational analyses by using data management and Non-Uniform Rational B-Splines (NURBS) based data mapping. Five software products have been defined for this task: (1) a primary flowpath data mapper, (2) a two-dimensional data mapper, (3) a database interface, (4) a blade structural pre- and post-processor, and (5) a computational fluid dynamics code for aerothermal analysis of the drum rotor. Thus far (1) a cooperative agreement has been established with Pratt & Whitney, (2) a Primary Flowpath Data Mapper has been prototyped and delivered to General Electric Aircraft Engines and Pratt & Whitney for evaluation, (3) a collaborative effort has been initiated with the National Institute of Standards and Testing to develop a Standard Data Access Interface, and (4) a blade tip clearance capability has been implemented into the Structural Airfoil Blade Engineering Routine (SABER) program. We plan to continue to develop the data mappers and data management tools. As progress is made, additional efforts will be made to apply these tools to propulsion system applications.

Source record↗

NASA NTRS1984

STARS: A general-purpose finite element computer program for analysis of engineering structures

STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.

Gupta, K. K.↗

NASA NTRS1994

Design of orbital debris shields for oblique hypervelocity impact

A new impact debris propagation code was written to link CTH simulations of space debris shield perforation to the Lagrangian finite element code DYNA3D, for space structure wall impact simulations. This software (DC3D) simulates debris cloud evolution using a nonlinear elastic-plastic deformable particle dynamics model, and renders computationally tractable the supercomputer simulation of oblique impacts on Whipple shield protected structures. Comparison of three dimensional, oblique impact simulations with experimental data shows good agreement over a range of velocities of interest in the design of orbital debris shielding. Source code developed during this research is provided on the enclosed floppy disk. An abstract based on the work described was submitted to the 1994 Hypervelocity Impact Symposium.

Fahrenthold, Eric P.↗

NASA NTRS1993

Nonlinear dynamic simulation of single- and multi-spool core engines

In this paper a new computational method for accurate simulation of the nonlinear dynamic behavior of single- and multi-spool core engines, turbofan engines, and power generation gas turbine engines is presented. In order to perform the simulation, a modularly structured computer code has been developed which includes individual mathematical modules representing various engine components. The generic structure of the code enables the dynamic simulation of arbitrary engine configurations ranging from single-spool thrust generation to multi-spool thrust/power generation engines under adverse dynamic operating conditions. For precise simulation of turbine and compressor components, row-by-row calculation procedures were implemented that account for the specific turbine and compressor cascade and blade geometry and characteristics. The dynamic behavior of the subject engine is calculated by solving a number of systems of partial differential equations, which describe the unsteady behavior of the individual components. In order to ensure the capability, accuracy, robustness, and reliability of the code, comprehensive critical performance assessment and validation tests were performed. As representatives, three different transient cases with single- and multi-spool thrust and power generation engines were simulated. The transient cases range from operating with a prescribed fuel schedule, to extreme load changes, to generator and turbine shut down.

Schobeiri, T.↗

DOE OSTI2023

Do Ionic Liquids Slow Down in Stages?

High impact recent articles have reported on the existence of a liquid–liquid (L–L) phase transition as a function of both pressure and temperature in ionic liquids (ILs) containing the popular trihexyltetradecylphosphonium cation (P 666,14 + ), sometimes referred to as the “universal liquifier”. The work presented here reports on the structural-dynamic pathway from liquid to glass of the most well-studied IL comprising the P 666,14 + cation. We present experimental and computational evidence that, on cooling, the path from the room-temperature liquid to the glass state is one of separate structural-dynamic changes. The first stage involves the slowdown of the charge network, while the apolar subcomponent is fully mobile. A second, separate stage entails the slowdown of the apolar domain. Whereas it is possible that these processes may be related to the liquid–liquid and glass transitions, more research is needed to establish this conclusively.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Reflectin: Protein Driver of Dynamically Tunable Biophotonics; New Paradigm for Tunably Reconfigurable Materials

We discovered that the reflectins, with architecture and sequences unlike those of any other proteins known, exhibit a novel interplay between signal-controlled nucleation and growth of dynamically arrested liquid-liquid phase-segregated assemblies that uniquely enables the continuous and precise fine-tuning of physical properties governing the color and brightness of light reflected from the membrane-enclosed nanostructures that contain them. Our research included high-resolution structural analyses conducted at the DOE-BES user facilities of the Stanford Synchrotron Light Source and LBL National Laboratory’s Molecular Foundry, leveraging their capabilities for time-resolved SAXS and cryo-TEM with our ongoing genetic engineering, biophysical and computational analyses to identify the structural determinants and mechanisms governing the dynamic behaviors of the reflectins. We augmented these methods with EPR analyses that revealed for the first time the existence of a specific pathway of reflectin assembly. Using dynamic light scattering and continuously monitored circular dichroism and Raman microscopy, we elucidated the progression of structural changes underlying the mechanisms of signal-induced condensation, folding, assembly, liquefaction, dynamic arrest, regulation and reversal.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1994

Eulerian-Lagrangian Simulations of Transonic Flutter Instabilities

This paper presents an overview of recent applications of Eulerian-Lagrangian computational schemes in simulating transonic flutter instabilities. This approach, the fluid-structure system is treated as a single continuum dynamics problem, by switching from an Eulerian to a Lagrangian formulation at the fluid-structure boundary. This computational approach effectively eliminates the phase integration errors associated with previous methods, where the fluid and structure are integrated sequentially using different schemes. The formulation is based on Hamilton's Principle in mixed coordinates, and both finite volume and finite element discretization schemes are considered. Results from numerical simulations of transonic flutter instabilities are presented for isolated wings, thin panels, and turbomachinery blades. The results suggest that the method is capable of reproducing the energy exchange between the fluid and the structure with significantly less error than existing methods. Localized flutter modes and panel flutter modes involving traveling waves can also be simulated effectively with no a priori knowledge of the type of instability involved.

Bendiksen, Oddvar O.↗

DOE OSTI2024

From ionic clusters dynamics to network constraints in ionic polymer solutions

Physical networks formed by ionizable polymers with ionic clusters as crosslinks are controlled by coupled dynamics that transcend from ionic clusters through chain motion to macroscopic response. Here, the coupled dynamics, across length scales, from the ionic clusters to the networks in toluene swollen polystyrene sulfonate networks, were directly correlated, as the electrostatic environment of the physical crosslinks was altered. The multiscale insight is attained by coupling neutron spin echo measurements with molecular dynamics simulations, carried out to times typical of relaxation of polymers in solutions. The experimental dynamic structure factor is in outstanding agreement with the one calculated from computer simulations, as the networks are perturbed by elevating the temperature and changing the electrostatic environment. In toluene, the long-lived clusters remain stable over hundreds of ns across a broad temperature range, while the polymer network remains dynamic. In conclusion, though the size of the clusters changes as the dielectric constant of the solvent is modified through the addition of ethanol, they remain stable but morph, enhancing the polymer chain dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2025

GPR_calculator: An on-the-fly surrogate model to accelerate massive nudged elastic band calculations

We present GPR_calculator, a package based on Python and C++ programming languages to build an on-the-fly surrogate model using Gaussian Process Regression (GPR) to approximate computationally expensive electronic structure calculations. The key idea is to dynamically train a GPR model during the simulation that can accurately predict energies and forces with uncertainty quantification. When the uncertainty is high, the costly electronic structure calculation is performed to obtain the ground truth data, which is then used to update the GPR model. To illustrate the effectiveness of GPR_calculator, we demonstrate its application in Nudged Elastic Band (NEB) simulations of surface diffusion and reactions, achieving 3-10 times acceleration compared to pure ab initio calculations. The source code is available at https://github.com/MaterSim/GPR_calculator.

Gaussian process regression↗

DOE OSTI2021

X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation

Abstract Electronic relaxation in organic chromophores often proceeds via states not directly accessible by photoexcitation. We report on the photoinduced dynamics of pyrazine that involves such states, excited by a 267 nm laser and probed with X-ray transient absorption spectroscopy in a table-top setup. In addition to the previously characterized 1 B 2u (ππ*) (S 2 ) and 1 B 3u (nπ*) (S 1 ) states, the participation of the optically dark 1 A u (nπ*) state is assigned by a combination of experimental X-ray core-to-valence spectroscopy, electronic structure calculations, nonadiabatic dynamics simulations, and X-ray spectral computations. Despite 1 A u (nπ*) and 1 B 3u (nπ*) states having similar energies at relaxed geometry, their X-ray absorption spectra differ largely in transition energy and oscillator strength. The 1 A u (nπ*) state is populated in 200 ± 50 femtoseconds after electronic excitation and plays a key role in the relaxation of pyrazine to the ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Deep-learning atomistic semi-empirical pseudopotential model for nanomaterials

The semi-empirical pseudopotential method (SEPM) has been widely applied to provide computational insights into the electronic structure, photophysics, and charge carrier dynamics of nanoscale materials. We present “DeepPseudopot”, a machine-learned atomistic pseudopotential model that extends the SEPM framework by combining a flexible neural network representation of the local pseudopotential with parameterized non-local and spin-orbit coupling terms. Trained on bulk quasiparticle band structures and deformation potentials from GW calculations, the model captures many-body and relativistic effects with very high accuracy across diverse semiconducting materials, as illustrated for silicon and group III-V semiconductors. DeepPseudopot’s accuracy, efficiency, and transferability make it well-suited for data-driven in silico design and discovery of novel optoelectronic nanomaterials.

Lin, Kailai [University of California, Berkeley, C↗

NASA NTRS1977

Analysis methods for Kevlar shield response to rotor fragments

Several empirical and analytical approaches to rotor burst shield sizing are compared and principal differences in metal and fabric dynamic behavior are discussed. The application of transient structural response computer programs to predict Kevlar containment limits is described. For preliminary shield sizing, present analytical methods are useful if insufficient test data for empirical modeling are available. To provide other information useful for engineering design, analytical methods require further developments in material characterization, failure criteria, loads definition, and post-impact fragment trajectory prediction.

Gerstle, J. H.↗

NASA NTRS1987

Performance characteristics of moving belt radiators

A design features and performance capabilities evaluation is made for a novel, 'hybrid belt radiator' spacecraft heat rejection system, which retains the excellent heat transfer capacity of liquid belt radiators but does not require the direct exposure of a free liquid surface to the space environment. Attention is given to the preliminary results of a computer model analyzing the dynamic behavior of the flexible belt structure due to spacecraft accelerations, as well as to the results of system studies determining size constraints on the radiator. Over the 300-700 K range of operating temperatures, Space Shuttle-stowable radiators with 10-200 MW thermal capacities can be designed.

Mcfadden, D.↗

NASA NTRS1988

Flowfield visualization for SSME hot gas manifold

The objective of this research, as defined by NASA-Marshall Space Flight Center, was two-fold: (1) to numerically simulate viscous subsonic flow in a proposed elliptical two-duct version of the fuel side Hot Gas Manifold (HGM) for the Space Shuttle Main Engine (SSME), and (2) to provide analytical support for SSME related numerical computational experiments, being performed by the Computational Fluid Dynamics staff in the Aerophysics Division of the Structures and Dynamics Laboratory at NASA-MSFC. Numerical results of HGM were calculations to complement both water flow visualization experiments and air flow visualization experiments and air experiments in two-duct geometries performed at NASA-MSFC and Rocketdyne. In addition, code modification and improvement efforts were to strengthen the CFD capabilities of NASA-MSFC for producing reliable predictions of flow environments within the SSME.

Roger, Robert P.↗

NASA NTRS1989

The power and efficiency of advanced software and parallel processing

Real-time simulation of flexible and articulating systems is difficult because of the computational burden of the time varying calculations. The mobile servicing system of the NASA Space Station Freedom will handle heavy payloads by local arm manipulations and by translating along the spline of the Station, it is crucial to have real-time simulation available. To enable such a simulation to be of high fidelity and to be able to be hosted on a modest computer, special care must be made in formulating the structural dynamics. Frontal solution algorithms save considerable time in performing these calculations. In addition, it is necessary to take advantage of parallel processing be compatible to take full advantage of both. An approach is offered which will result in high fidelity, real-time simulation for flexible, articulating systems such as the space Station remote servicing system.

Singh, Ramen P.↗

NASA NTRS1991

Large Angle Transient Dynamics (LATDYN) demonstration problem manual

LATDYN is a computer code for modeling the Large Angle Transient Dynamics of structures. The objective in developing the code was to investigate new techniques for analyzing flexible deformation and control/structure interaction problems associated with large angular motions of spacecraft. Such motions may consist of pointing the entire spacecraft or articulation of individual components, events which occur frequently during construction, operation, and maintenance of large spacecraft. This type of analysis is beyond the routine capability of conventional analytical tools without simplifying assumptions. In some instances, the motion may be sufficiently slow and the spacecraft (or component) sufficiently rigid to simplify the analysis of dynamics and controls by making pseudo-static and/or rigid body assumptions. LATDYN introduces a new approach to the problem by combining finite element structural analysis, multi-body dynamics, and control system analysis in a single tool. It includes a new type of finite element that can deform and rotate through large angles at the same time, and which can be connected to other finite elements either rigidly or through mechanical joints. LATDYN also provides symbolic capabilities for modeling control systems which are interfaced directly with the finite element structural model. Thus, the nonlinear equations representing the structural model are integrated along with the equations representing sensors, processing, and controls as a coupled system.

Wu, Shih-Chin↗

NASA NTRS1990

Use of reduced basis technique in the inverse dynamics of large space cranes

The inverse dynamics of adaptive structures used as space cranes can prove computationally expensive in the case of large structures, due to the large number of degrees of freedom involved. Consequently, reduced basis techniques (reduction techniques) are frequently used to reduce the problem size to a time manageable level (for possible use in real time control). A reduced basis technique is proposed which is different from, but related to, the path-derivatives reduction technique. A linearly independent set of deflection n-tuples is used, chosen at the beginning of the time range in which it is wished to reduce the equations, in whose subspace it is assumed that the deflection vectors of the unreduced problem will lie (approximately).

Das, S. K.↗

NASA NTRS1995

Documentation and archiving of the Space Shuttle wind tunnel test data base. Volume 1: Background and description

Development of the space shuttle necessitated an extensive wind tunnel test program, with the cooperation of all the major wind tunnels in the United States. The result was approximately 100,000 hours of space shuttle wind tunnel testing conducted for aerodynamics, heat transfer, and structural dynamics. The test results were converted into Chrysler DATAMAN computer program format to facilitate use by analysts, a very cost effective method of collecting the wind tunnel test results from many test facilities into one centralized location. This report provides final documentation of the space shuttle wind tunnel program. The two-volume set covers evolution of space shuttle aerodynamic configurations and gives wind tunnel test data, titles of wind tunnel data reports, sample data sets, and instructions for accessing the digital data base.

Romere, Paul O.↗