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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1971

The NASTRAN computer program for structural analysis.

Discussion of a large NASA-sponsored digital computer program for static and dynamic analysis of structures with linear or nonlinear material properties. The program fits to perform buckling analysis, vibration mode analysis of conservative or damped systems, frequency response analysis, and transient response analysis on the IBM 360, UNIVAC 1108, and CDC 6600 computers. It also provides automatic generation of several types of loads such as gravity loads and thermal strain loads, plots of deformed and nondeformed structures, and the choice of alternate analysis methods such as direct or modal formulations of dynamic problems. The program is intended primarily for large problems involving hundreds of thousands of degrees of freedom. A flexible Executive System is provided to facilitate the addition of new functional capabilities to the program.

Macneal, R. H.↗
NASA NTRS1974

Internal friction in rocks and its relationship to volatiles on the moon

The physical properties of lunar rocks were measured using the vibrating bar technique in order to provide data for interpretation of geophysical results such as those from seismic measurements. The effect of volatiles on the mechanical Q in lunar rocks was studied in addition to the effect of exposing a sample to controlled amounts of those gases most likely to be present in the lunar environment or likely to have been outgassed from the lunar interior. The moderate temperatures to which the sample was exposed during the thermal treatment and the small drop in resonant frequency during the course of the outgassing suggests that there was little change in microfracture density. The frequency, composition and texture dependence of the damping were investigated, to study the loss mechanism.

Tittmann, B. R.↗
NASA NTRS1985

A robust nonlinear attitude control law for space stations with flexible structural components

In this paper, a nonlinear attitude control law for space stations with flexible structural components is derived using a rigid-body model. This control law, depending on the Cayley-Rodriguez parameters, globally stabilizes the equilibrium of the rigid-body model. The effect of elastic deformations of the flexible structural components on the resulting feedback system dynamics is analyzed. It is found that the system's stability property is highly robust with respect to structural vibrations and inertial variations. The time-domain behavior of the feedback system is studied numerically using a model of a typical space station with flexible solar panels.

Wang, P. K. C.↗
NASA NTRS2020

Plankton, Aerosol, Cloud, Ocean Ecosystem (PACE) Mission Integration and Testing

This paper describes the plans, flows, key facilities, components and equipment necessary to fully integrate, functionally test and qualify the Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) Observatory. PACE is currently in the design phase of mission implementation. It is scheduled to launch in 2022, extending and improving NASA's twenty-year record of satellite observations of global ocean biology, aerosols and clouds. PACE will advance the assessment of ocean health by measuring the distribution of phytoplankton, which are small plants and algae that sustain the marine food web. It will also continue systematic records of key atmospheric variables associated with air quality and the Earth's climate. The PACE observatory is comprised of the spacecraft and three instruments, an Ocean Color Instrument (OCI) and two polarimeters, the Hyper-Angular Rainbow Polarimeter 2 (HARP2) and the Spectro-Polarimeter for Exploration (SPEXone). The spacecraft and the OCI, which is the primary instrument, are developed and integrated at the NASA Goddard Space Flight Center (GSFC). The OCI is a hyper-spectral scanning (HSS) radiometer designed to measure spectral radiances from the ultraviolet to shortwave infrared (SWIR) to enable advanced ocean color and heritage cloud and aerosol particle science. The HARP2 and SPEXone are secondary instruments on the PACE observatory, acquired outside of GSFC. The Hyper-Angular Rainbow Polarimeter instrument (HARP2) is a wide swath imaging polarimeter that is capable of characterizing atmospheric aerosols for purposes of sensor atmospheric correction as well as atmospheric science. The SPEXone provides atmospheric aerosol and cloud data at high temporal and spatial resolution. This paper will focus on the Integration and Test (I&T) activities for the PACE mission at NASA GSFC. This I&T phase consists of mechanical, electrical and thermal integration and test of all the spacecraft subsystems and the integration of the instruments with the spacecraft. The PACE observatory environmental tests include electromagnetic interference (EMI)/electromagnetic compatibility (EMC), vibration, acoustics, shock, thermal balance, thermal vacuum, mass properties and center of gravity. This paper will also discuss the observatory shipment to the launch site as well as the launch site processing.

Petro, Susanna↗
NASA NTRS1991

Real gas effects on hypersonic boundary-layer stability

High-temperature effects alter the physical and transport properties of a gas, air in particular, due to vibrational excitation and gas dissociation, and thus the chemical reactions have to be considered in order to compute the flow field. Linear stability of high-temperature boundary layers is investigated under the assumption of chemical equilibrium and this gas model is labeled here as real gas model. In this model, the system of stability equations remains of the same order as for the perfect gas and the effect of chemical reactions is introduced only through mean flow and gas property variations. Calculations are performed for Mach 10 and 15 boundary layers and the results indicate that real gas effects cause the first mode instability to stabilize while the second mode is made more unstable. It is also found that the second mode instability shifts to lower frequencies. There is a slight destabilizing influence of real gas on the Goertler instability as compared to the perfect gas results.

Malik, M. R.↗
DOE OSTI2020

Direct Observation of Bandgap Oscillations Induced by Optical Phonons in Hybrid Lead Iodi.de Perovskites

Hybrid organic-inorganic perovskites such as methylammonium lead iodide have emerged as promising semiconductors for energy-relevant applications. The interactions between charge carriers and lattice vibrations, giving rise to polarons, have been invoked to explain some of their extraordinary optoelectronic properties. Here, time-resolved optical spectroscopy is performed, with off-resonant pumping and electronic probing, to examine several representative lead iodide perovskites. The temporal oscillations of electronic bandgaps induced by coherent lattice vibrations are reported, which is attributed to antiphase octahedral rotations that dominate in the examined 3D and 2D hybrid perovskites. The off-resonant pumping scheme permits a simplified observation of changes in the bandgap owing to the A(g) vibrational mode, which is qualitatively different from vibrational modes of other symmetries and without increased complexity of photogenerated electronic charges. The work demonstrates a strong correlation between the lead-iodide octahedral framework and electronic transitions, and provides further insights into the manipulation of coherent optical phonons and related properties in hybrid perovskites on ultrafast timescales.

coherent optical phonons↗
NASA NTRS1982

Description/demonstration of BIODYN-80. A software package for evaluating the transmissibility between vehicle vibration and motions of hands (in controls), limbs, head and eyes

A user-oriented program for exercising the 1980 verson of the biodynamic model BIODYN-80 is described. The user inputs (modifies) some 80-100 variables describing the assumed posture, interface characteristics (e.g., stick "feel" properties), and vestibular characteristics. The computer calculates the transfer functions between vibration input and various selected outputs of interest to the user. Another option is to output the operator's torso-limb-neuromuscular loop transmissibilities as seen at the stick, as required for the PIVIB computer program for computing tracking performance effects of vibration. Applications to some current problems are demonstrated.

Riedel, S. A.↗
NASA NTRS1967

The oscillating properties of electrostatic transducers according to the sell principle

Amplitude and phase of the vibration of the membrane of an electrostatic Sell-transducer are scanned point-for point with a capacitive probe. From the results a number of mean or extreme values characterizing the behaviour of the membrane are derived. These values two compared with respect to their dependence on air pressure, membrane material , surface properties of the back plate, and excitation voltage; optimal values for various applications are found.

K. Geide↗
NASA NTRS1994

Collisional-Radiative Nonequilibrium and Precursor Effects in a Nitrogen Shock Wave

Improvements to a plasma code with a Collisional-Radiative (CR) non-equilibrium model are made, allowing for a more accurate description of the physical processes. The code allows for non-Boltzmann distributions of the electronic excited states by convecting separately each excited state, as a pseudo-specie. Each molecular state has also its own vibrational temperature, while a global rotational temperature is assumed. The free electron temperature is different from those of the excited states, and the electron heat conduction is also included. The CR model also uses a unique coupling between chemistry and vibrational energy (C-V coupling), which is fully coherent, and has the property of establishing thermal equilibrium as well as chemical equilibrium, on its own. We have also included a coupling between electronic excitations and vibrational energy (X-V coupling), which can have a strong influence on the vibrational temperature of some states. The recent improvements include the multi- temperature dependence of the chemical rates for associative ionization, as well as the estimation of the internal energies transferred during this process. Additionally, the distribution of energy into different translational modes (electron and heavy particles) is now correctly modeled. This provides a very rapid heating mechanism for the free electrons, since it is found that the electrons are generated with an average thermal energy of the same order as the heavy particle translational energy. This effect was observed by Gorelov et al in a recent paper, and lead to pronounced peaks in electron temperature immediately behind the shock. We will attempt ro reproduce this phenomenon. The last modification concerns the inclusion of the radiative terms into the calculations, thus enabling us to observe the effect of radiative losses and radiation transport. Preliminary tests have shown that the radiative losses are not negligible, i.e. the shock velocity drops when the radiative emission is included. In addition, we have observed some precursor excitation and ionization phenomena. These may be important at high shock velocities, and this will be investigated in detail. Precursor phenomena were also observed (in air) by Gorelov et al, and our results (for pure nitrogen) will be qualitatively compared with theirs.

Cambier, Jean-Luc↗
DOE OSTI2023

Small bimetallic clusters Agn-1M (M = Au, Co, Cu, Ni, Pd, Pt; n = 3, 9, 15): Density functional theory and genetic algorithm

We investigated the effect of size and composition on the properties of bimetallic nanoclusters. The geometric structures, stabilities, and electronic properties of size-selected Ag n-1 M (M = Au, Co, Cu, Ni, Pd, Pt; n = 3, 9, 15) bimetallic nanoclusters are systematically analyzed using spin-polarized density functional theory (DFT) within the generalized gradient approximation (GGA). We determine the most stable geometries for these clusters using a genetic algorithm (GA) in combination with DFT. Our results show that doping pure silver clusters with an M atom (transition metal), referred to as a “guest atom”, increases the stability as compared to pure Ag n (n = 3, 9, 15) clusters. The results for various properties including formation energy per atom, electronic structure, magnetic moments, and vibrational density of states (VDOS) are evaluated as a function of both size and composition of the system. The adsorption of selected bimetallic clusters on hydroxylated alumina substrate shows weak binding and minor changes in geometric properties except for Ag 8 Pt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Non-resonant Raman optical activity from phase-space electronic structure theory

In order to model experimental non-resonant Raman optical activity, chemists must compute a host of second-order response tensors (e.g., the electric-dipole–magnetic-dipole polarizability) and their nuclear derivatives along a set of vibrational modes. While these response functions are almost always computed within a Born–Oppenheimer (BO) framework, here we provide a natural interpretation of the electric-dipole–magnetic-dipole polarizability within phase space electronic structure theory, a beyond-BO model whereby the electronic structure depends on nuclear momentum (P) in addition to nuclear position (R). By coupling to nuclear momentum, phase space electronic structure theory is able to capture the asymmetric response of the electronic properties to an external field, in so far as for a vibrating (non-stationary) molecule, $\frac{∂μ}{∂B}$≠$\frac{∂m}{∂F}$, where μ and m are the electrical linear and magnetic dipoles, and F and B are electric and magnetic fields. As an example, for a prototypical methyloxirane molecule, we show that phase space electronic structure theory is able to deliver a reasonably good match with experimental results in a manner that is formally invariant to gauge origin G 0 —provided that one uses a complete basis or, alternatively, gauge invariant atomic orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Pragmatic Uncertainty Quantification and Propagation in Inverse Estimation of Structural Dynamics Parameters given Material Property Uncertainties and Limited Sensor Data

In this report we demonstrate some relatively simple and inexpensive methods to effectively account for various sources of epistemic lack-of-knowledge type uncertainty in inverse problems. The demonstration problem involves inverse estimation of six parameters of a bolted joint that attaches a kettlebell shaped object to a thick plate. The parameters are efficiently inverted in a modal-based model calibration using gradient-based optimization. Two material properties of the kettlebell are treated as uncertain to within given epistemic uncertainty bounds. We apply and test interval and sparse-sample probabilistic approaches to account for uncertainty in the estimated parameters (and various scalar functionals of the parameters as generic quantities of interest, QOIs) due to uncertainties in the material properties. We also investigate the error effects of limited numbers of vibration sensors (accelerometers) on the kettlebell and plate, and therefore abbreviated excitation/response information in the parameter inversions. We propose and demonstrate a Leave-K-Sensors-Out “cross-prediction” UQ approach to estimate related uncertainties on the parameters and QOI functionals. We indicate how uncertainties from material properties and limited sensors are treated in a combined manner. The economical combined UQ approach involves just three to five samples (i.e. three to five inverse simulations), with no added complication or error/uncertainty from use of surrogate models for affordability. Finally, we describe a related economical UQ approach for handling potential parameter solution non-uniqueness and numerical optimization related precision uncertainties in the estimated parameter values. Indicated further research is identified.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Uncovering the Functional Role of Coherent Phonons during the Photoinduced Phase Transition in a Molecular Crystal

The atomic motions that make up phonons and molecular vibrations in molecular crystals influence their photophysical and electronic properties, including polaron formation, carrier mobility, and phase transitions. Discriminating between spectator and driving motions is a significant challenge hindering optimization. Unlocking this information and developing fine-tuned controls over actively participating phonon modes would not only lead to a stronger understanding of photochemistry but also provide a significant new tool in controlling solid state chemistry. We present a strategy using rationally designed double pulses to unveil the unique function of specific excited state phonon modes. Using ultrafast spectroscopy, we identified 50 and 90 cm –1 phonons involved in modulating the photoinduced spin-Peierls melting of potassium tetracyanoquinodimethane crystals. Here, we show that the 50 cm –1 phonon specifically corresponds to the coherent nuclear wavepacket involved in the charge transfer component of the overall spin-Peierls phase melting process, while the 90 cm –1 phonon facilitates the phase transition component.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

High-pressure and temperature neural network reactive force field for energetic materials

Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive compared with electronic structure calculations and allow for simulations of millions of atoms. However, the accuracy of traditional force fields is limited by their functional forms, preventing continual refinement and improvement. Therefore, we develop a neural network-based reactive interatomic potential for the prediction of the mechanical, thermal, and chemical responses of energetic materials at extreme conditions. The training set is expanded in an automatic iterative approach and consists of various CHNO materials and their reactions under ambient and shock-loading conditions. Further, this new potential shows improved accuracy over the current state-of-the-art force fields for a wide range of properties such as detonation performance, decomposition product formation, and vibrational spectra under ambient and shock-loading conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Intrinsic Limits of Charge Carrier Mobilities in Layered Halide Perovskites

Layered halide perovskites have emerged as potential alternatives to three-dimensional (3D) halide perovskites due to their improved stability and larger material phase space, allowing fine tuning of structural, electronic, and optical properties. However, their charge carrier mobilities are significantly smaller than those of 3D halide perovskites, which has a considerable impact on their application in optoelectronic devices. Here, we employ state-of-the-art approaches to unveil the electron-phonon mechanisms responsible for the diminished transport properties of layered halide perovskites. Starting from a prototypical A M X 3 halide perovskite, we model the case of n = 1 and n = 2 layered structures and compare their electronic and transport properties to the 3D reference. The electronic and phononic properties are investigated within density functional theory (DFT) and density functional perturbation theory (DFPT), while transport properties are obtained via the Boltzmann transport equation. The vibrational modes contributing to charge carrier scattering are investigated and associated with polar-phonon scattering mechanisms arising from the long-range Fröhlich coupling and deformation-potential scattering processes. Our investigation reveals that the lower mobilities in layered systems primarily originate from the increased electronic density of states at the vicinity of the band edges, while the electron-phonon coupling strength remains similar. Such an increase is caused by the dimensionality reduction and the break in octahedra connectivity along the stacking direction. Our findings provide a fundamental understanding of the electron-phonon coupling mechanisms in layered perovskites and highlight the intrinsic limitations of the charge carrier transport in these materials. Published by the American Physical Society 2024

Cucco, Bruno (ORCID:0000000331564143)↗
DOE OSTI2024

Revealing complex subsurface dynamics with continuous seismic monitoring: Observations using distributed acoustic sensing and surface orbital vibrators during hydraulic fracturing

Understanding hydraulic fracturing is crucial to improving the stimulation of unconventional reservoirs and increasing fluid production. This study develops a novel seismic monitoring technology using distributed acoustic sensing (DAS) and surface orbital vibrators (SOV) to capture fracture seismic response and mechanical properties at high temporal intervals. We analyze continuous time-lapse vertical seismic profiling (VSP) data acquired every hour during the first nine days of treatment of an unconventional reservoir in the Austin Chalk/Eagle Field Laboratory. The VSP data contain clear seismic signals scattered from the activated fractures. The spatiotemporal changes of the fracture reflectivity revealed by the SOV/DAS data correlate well with the observations of fracture locations inferred from low-frequency DAS data. These results capture the fracture opening and closure processes, as well as highlight potential prestage activations of the fractures due to hydraulic connectivity with preexisting fracture systems. Therefore, analysis of the presented data set provides a unique opportunity to understand fracture initiation and subsequent evolution, not only in the context of unconventional resources but also in enhanced geothermal systems.

Correa, Julia↗
NASA NTRS1973

Sensitivity of rotor blade vibration characteristics to torsional oscillations.

A theoretical investigation of dynamic response characteristics of helicopter rotor blades in forward flight was carried out with special emphasis on the torsional degrees-of-freedom. The finite element method was applied in the formulation of the coupled equations of motion for flapwise bending and torsion for blades with non-collinear elastic, mass and aerodynamic axes. The sensitivity of blade vibration characteristics with respect to structural, geometric and aerodynamic properties as well as flight conditions was evaluated. Numerical results for sample blades were plotted to show the variation of the coupling between bending and torsional components of the response.

Bratanow, T.↗