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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

iLIDS Simulations and Videos for Docking TIM

The video shows various aspects of the International Low Impact Docking System, including team members, some production, configuration, mated androgynous iLIDS, SCS Lockdown system, thermal analysis, electrical engineering aspects, the iLIDS control box and emulator, radiation testing at BNL, component environmental testing, component vibration testing, 3G processor board delivery system, GTA vibe test, EMA testbed, hook and hook disassembly, flex shaftdrive assembly, GSE cradle MISSE-6 Columbus, MISSE 6 and 7 seal experiments, actuated full scale seal test rig, LIDS on Hubble, dynamics test prep, EDU 54 mass emulation and SCS, load ring characterization, 6DOF proof test, SCS at 6DOF, machining EEMS and inner ring assembly, APAS assembly, inner ring fitting, rotation stand assembly, EEMS mating, and EEMS proof of concept demonstration.

Lewis, James L.↗
DOE OSTI2022

Amplitude-mode spectroscopy of chemically injected and photogenerated charge carriers in semiconducting single-walled carbon nanotubes

In one-dimensional semiconductors such as conjugated polymers and semiconducting single-walled carbon nanotubes (s-SWCNTs), injected charge carriers (electrons or holes) can have profound impacts on both electronic conductivity and optical spectra, even at low carrier densities. Understanding charge-related spectral features is a key fundamental challenge with important technological implications. Here, we employ a systematic suite of experimental and theoretical tools to understand the mid-infrared charge signatures of heavily p-type doped polymer-wrapped s-SWCNTs. Across a broad range of nanotube diameters, we find that hole charge carriers induce strong Fano anti-resonances in mid-infrared transmission spectra that correspond to defect-related (D-band) and in-plane tangential (G-band) Raman-active vibrational modes, along with anti-resonances arising from infrared (IR)-active polymer and SWCNT modes. We employ 13C isotope-labeled s-SWCNTs and a removable wrapping polymer to clarify the relative intensities, energies, and sources of all observed anti-resonances. Simulations performed with the "amplitude mode model" are used to quantitatively reproduce Raman spectra and also help to explain the outsized intensity of the D-band anti-resonance, relative to the G-band, observed for both moderately and degenerately doped s-SWCNTs. Here, the results provide a framework for future studies of ground- and excited-state charge carriers in s-SWCNTs and a variety of low-dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Observation of Slow Eigen-Zundel Interconversion in H + (H 2 O) 6 Clusters upon Isomer-Selective Vibrational Excitation and Buffer Gas Cooling in a Cryogenic Ion Trap

The formation of isomers when trapping floppy cluster ions in a temperature-controlled ion trap is a generally observed phenomenon. This involves collisional quenching of the ions initially formed at high temperature by buffer gas cooling until their internal energies fall below the barriers in the potential energy surface that separate them. Here we explore the kinetics at play in the case of the two isomers adopted by the H + (H 2 O) 6 cluster ion that differ in the proton accommodation motif. One of these is most like the Eigen cation with a tricoordinated hydronium motif (denoted E), and the other is most like the Zundel ion with the proton equally shared between two water molecules (denoted Z). After initial cooling to about 20 K in the radiofrequency (Paul) trap, the relative populations of these two spectroscopically distinct isomers are abruptly changed through isomer-selective photoexcitation of bands in the OH stretching region with a pulsed (~6 ns) infrared laser while the ions are in the trap. We then monitor the relaxation of the vibrationally excited clusters and reformation of the two cold isomers by recording infrared photodissociation spectra with a second IR laser as a function of delay time from the initial excitation. The latter spectra are obtained after ejecting the trapped ions into a time-of-flight photofragmentation mass spectrometer, thus enabling long (~0.1 s) delay times. Excitation of the Z isomer is observed to display long-lived vibrationally excited states that are collisionally cooled on a ms time scale, some of which quench into the E isomer. These excited E species then display spontaneous interconversion to the Z form on a ~10 ms time scale. Furthermore, these qualitative observations set the stage for a series of experimental measurements that can provide quantitative benchmarks for theoretical simulations of cluster dynamics and the potential energy surfaces that underlie them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Quasiparticle Couplings in Transport of Heat, Charge, and Spin for Novel Energy Materials. Final report

Understanding the microscopic processes involved in the transport and conversion of energy from the atomic-scale to the meso-scale is critical for the development of next-generation materials for energy conversion and information processing. The goal of this program was to elucidate the couplings between microscopic degrees-of-freedom of atomic vibrations, spins, and electrons, which underpin heat, charge, and spin transport. This project systematically investigated these quasi-particle interactions, using state-of-the-art neutron scattering techniques, combined with first-principles computer simulations. This research program uncovered new information and understanding, which helps to rationalize materials properties based on the interplay of their atomistic degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2024

How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model

FTIR spectroscopy accompanied by quantum chemical simulations can reveal important information about molecular structure and intermolecular interactions in the condensed phase. Simulations typically account for the solvent either through cluster quantum mechanical (QM) models, polarizable continuum models (PCM), or hybrid quantum mechanical/molecular mechanical (QM/MM) models. Recently, we studied the effect of aqueous solvent interactions on the vibrational frequencies of lumiflavin, a minimal flavin model, using cluster QM and PCM models. Those models successfully reproduced the relative frequencies of four prominent stretching modes of flavin’s isoalloxazine ring in the diagnostic 1450–1750 cm−1 range but poorly reproduced the relative band intensities. Here, we extend our studies on this system and account for solvation through a series of increasingly sophisticated models. Only by combining elements of QM clusters, QM/MM, and PCM approaches do we obtain an improved agreement with the experiment. The study sheds light more generally on factors that can impact the computed frequencies and intensities of IR bands in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Vibration of a liquid with a free surface in a spinning spherical tank

The problem of forced fluid vibrations in a partially filled spinning spherical tank is solved numerically by using the finite element method. The governing equations include Coriolis acceleration and spatially homogeneous vorticity. An exponential instability is detected in the present simulation for fill ratios below 0.5 and centrifugal acceleration to thrust ratios less than 1.7. This fictitious instability appears in the model as a result of the homogeneous vortex assumption since the free slosh equations are neutrally stable in the Liapunov sense.

El-Raheb, M.↗
NASA NTRS1989

Optical fiber sensors and signal processing for intelligent structure monitoring

Few mode optical fibers have been shown to produce predictable interference patterns when placed under strain. The use is described of a modal domain sensor in a vibration control experiment. An optical fiber is bonded along the length of a flexible beam. Output from the modal domain sensor is used to suppress vibrations induced in the beam. A distributed effect model for the modal domain sensor is developed. This model is combined with the beam and actuator dynamics to produce a system suitable for control design. Computer simulations predict open and closed loop dynamic responses. An experimental apparatus is described and experimental results are presented.

Thomas, Daniel↗
NASA NTRS1989

Influence of afterbodies on AOTV flows

The role of vibration-dissociation coupling in flows representative of AOTV's with afterbodies is discussed. A physical model designed to reflect the behavior of anharmonic diatomic molecules at high temperatures was developed and incorporated into the direct simulation Monte Carlo method of Bird (1976). The model leads to reduced dissociation and increased convective heating for flows with finite catalytic surfaces.

Olynick, David P.↗
NASA NTRS1990

Optical testing cryogenic thermal vacuum facility

The construction of a turnkey cryogenic vacuum test facility was recently completed. The facility will be used to measure and record the surface profile of large diameter and 540 kg optics under simulated space conditions. The vacuum test chamber is a vertical stainless steel cylinder with a 3.5 diameter and a 7 m tangent length. The chamber was designed to maximize optical testing quality by minimizing the vibrations between the laser interferometer and the test specimen. This was accomplished by designing the chamber for a high natural frequency and vibration isolating the chamber. An optical test specimen is mounted on a movable presentation stage. During thermal vacuum testing, the specimen may be positioned to + or - 0.00025 cm accuracy with a fine adjustment mechanism. The chamber is evacuated by a close coupled Roots-type blower and rotary vane pump package and two cryopumps. The chamber is equipped with an optically dense gaseous nitrogen cooled thermal shroud. The thermal shroud is used to cool or warm the optical test specimen at a controlled rate. A control system is provided to automatically evacuate the chamber and cooldown the test specimen to the selected control temperature.

Dohogne, Patrick W.↗
NASA NTRS1992

The design concept of the 6-degree-of-freedom hydraulic shaker at ESTEC

The European Space Agency (ESA) has decided to extend its test facilities at the European Space and Technology Center (ESTEC) at Noordwijk, The Netherlands, by implementing a 6-degree-of-freedom hydraulic shaker. This shaker will permit vibration testing of large payloads in the frequency range from 0.1 Hz to 100 Hz. Conventional single axis sine and random vibration modes can be applied without the need for a configuration change of the test set-up for vertical and lateral excitations. Transients occurring during launch and/or landing of space vehicles can be accurately simulated in 6-degrees-of-freedom. The performance requirements of the shaker are outlined and the results of the various trade-offs, which are investigated during the initial phase of the design and engineering program are provided. Finally, the resulting baseline concept and the anticipated implementation plan of the new test facility are presented.

Brinkman, P. W.↗
NASA NTRS2004

Current Issues in Unsteady Turbomachinery Flows (Images)

Among the numerous causes for unsteadiness in turbo machinery flows are turbulence and flow environment, wakes from stationary and rotating vanes, boundary layer separation, boundary layer/shear layer instabilities, presence of shock waves and deliberate unsteadiness for flow control purposes. These unsteady phenomena may lead to flow-structure interactions such as flutter and forced vibration as well as system instabilities such as stall and surge. A major issue of unsteadiness relates to the fact that a fundamental understanding of unsteady flow physics is lacking and requires continued attention. Accurate simulations and sufficient high fidelity experimental data are not available. The Glenn Research Center plan for Engine Component Flow Physics Modeling is part of the NASA 21st Century Aircraft Program. The main components of the plan include Low Pressure Turbine National Combustor Code. The goals, technical output and benefits/impacts of each element are described in the presentation. The specific areas selected for discussion in this presentation are blade wake interactions, flow control, and combustor exit turbulence and modeling.

Povinelli, Louis↗
DOE OSTI2019

Probing Ultrafast Electron (De)localization Dynamics in Mixed Valence Complexes Using Femtosecond X-ray Spectroscopy (Final Report)

The overall goal of this research program was to understand valence electron and vibrational motion following metal-to-metal charge transfer (MMCT) excitation in the mixed valence complexes dissolved in aqueous solution. The project objectives were (i) to observe the time-dependent re-arrangement of d electrons across two transition metal sites and the bridging ligand following photoinduced MMCT excitation on a sub-50 femtosecond timescale using femtosecond X-ray pulses generated at LCLS (ii) to simulate femtosecond X-ray absorption and emission spectra of solvated, photo-excited, transition metal mixed valence complexes using a realistic treatment of multi-electron correlations/transitions, spin-orbit coupling and final state lifetime effects and to propose and study the feasibility of nonlinear X-ray experiments on solvated transition metal mixed valence systems using future X-FEL light sources and (iii) to determine the role of coupled electronic and vibrational motions during ultrafast photoinduced charge transfer. The final report highlights the scientific results obtained during this funding period.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Physics-based, neural network force fields for reactive molecular dynamics: Investigation of carbene formation from [EMIM + ][OAc - ]

Reactive molecular dynamics simulations enable detailed understanding of solvent effects on chemical reaction mechanisms and reaction rates. While classical molecular dynamics using reactive force fields allows significantly longer simulation time scales and larger system sizes compared with ab initio molecular dynamics, constructing reactive force fields is a difficult and complex task. In this work, we describe a general approach following the Empirical Valence Bond (EVB) framework for constructing ab initio reactive force fields for condensed phase simulations by combining physics-based methods with neural networks (PB/NN). The physics-based terms ensure correct asymptotic behavior of electrostatic, polarization, and dispersion interactions, and are compatible with existing solvent force fields. Neural networks are utilized for versatile description of short-range orbital interactions within the transition state region, and accurate rendering of vibrational motion of the reacting complex. Herein, we demonstrate our methodology for a simple deprotonation reaction of the 1-ethyl-3-methylimidazolium (EMIM+) cation with acetate to form 1-ethyl- 3-methylimidazol-2-ylidene and acetic acid. Our PB/NN force field exhibits ~ 1 kJ/mol MAE accuracy within the transition state region for the gas-phase complex. To characterize solvent modulation of the reaction profile, we compute potentials of mean force (PMFs) for the gas-phase reaction as well as the reaction within a four ion cluster, and benchmark against ab initio molecular dynamics simulations. We find that the surrounding ionic environment significantly destabilizes formation of the carbene product, and we show that this effect is accurately captured by the reactive force field. By construction, the PB/NN potential may be directly employed for simulations of other solvents/chemical environments without additional parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Development of an Efficient Binaural Simulation for the Analysis of Structural Acoustic Data

Binaural or "virtual acoustic" representation has been proposed as a method of analyzing acoustic and vibroacoustic data. Unfortunately, this binaural representation can require extensive computer power to apply the Head Related Transfer Functions (HRTFs) to a large number of sources, as with a vibrating structure. This work focuses on reducing the number of real-time computations required in this binaural analysis through the use of Singular Value Decomposition (SVD) and Equivalent Source Reduction (ESR). The SVD method reduces the complexity of the HRTF computations by breaking the HRTFs into dominant singular values (and vectors). The ESR method reduces the number of sources to be analyzed in real-time computation by replacing sources on the scale of a structural wavelength with sources on the scale of an acoustic wavelength. It is shown that the effectiveness of the SVD and ESR methods improves as the complexity of the source increases. In addition, preliminary auralization tests have shown that the results from both the SVD and ESR methods are indistinguishable from the results found with the exhaustive method.

Lalime, Aimee L.↗
DOE OSTI2023

Rigid-flexible coupling multi-body dynamics modeling of a semi-submersible floating offshore wind turbine

A 14-degree-of-freedom (14-DOF) flexible multibody dynamics model is developed and verified for a semi-submersible floating offshore wind turbine (FOWT). The model considers the coupled dynamics of the platform, tower, nacelle, blades, and mooring subjected to external wind and wave loads. The platform is simplified as a rigid body connected to the seabed by the mooring system. The tower and blade are modeled as flexible cantilever beams. The energy method is used to derive the governing equations of motion, where the kinetic energy, potential energy, and work done by external wind-wave forces are all deduced in a global coordinate system. The 5-MW baseline semi-submersible FOWT is used to verify the derived model against the results simulated from FAST developed by the US National Renewable Energy Laboratory (NREL) at two scenarios: free decay state and different wind-wave load cases. Results show that the established FOWT model can well reflect the vibration characteristics of FAST model. The application of the model to the control of platform pitch with a tuned mass damper is studied. Furthermore, the simplified model could provide a low-order method for the structural dynamics analysis and advanced vibration control design for the multi-body components of the semi-submersible FOWT in the future.

17 WIND ENERGY↗
DOE OSTI2025

Unsteady aerodynamics of large-scale floating offshore wind turbines in surge motion

Unsteady aerodynamic loads significantly influence the design and wake flow field of floating offshore wind turbines, especially due to wave- or vibration-induced tower top motions triggering various unsteady phenomena. Recent studies show that increasing turbine sizes amplify unsteady aerodynamic effects, as their impact typically grows with rotor diameter. This work combines recent findings from experiments and simulations on model-scale FOWT aerodynamics with new numerical analyses of large-scale rotors, providing a comprehensive understanding of unsteady phenomena occurrence and impact. Numerical analyses of the IEA 15-MW and 22-MW rotors undergoing surge motions characterise the combined influence of motion-induced unsteady phenomena on rotor thrust. Results indicate that unsteady effects can reduce thrust force variations by up to 40% at realistic surge periods. These findings contrast with prior model-scale rotor investigations, attributed to the specialised design of the model rotors. Comparisons between numerical methods - the dynamic blade element momentum method in OpenFAST and free vortex wake modules in panMARE and OpenFAST - reveal persistent differences in thrust predictions under both idealised and realistic conditions. This highlights that classical blade element momentum approaches require enhancement to accurately capture unsteady loads on large-scale floating offshore wind turbines at low wind speeds.

16 TIDAL AND WAVE POWER↗
NASA NTRS1978

Self-acting shaft seals

Self-acting seals are described in detail. The mathematical models for obtaining a seal force balance and the equilibrium operating film thickness are outlined. Particular attention is given to primary ring response (seal vibration) to rotating seat face runout. This response analysis reveals three different vibration modes, with secondary seal friction being an important parameter. Leakage flow inlet pressure drop and effects of axisymmetric and nonaxisymmetric sealing face deformations are discussed. Experimental data on self-acting face seals operating under simulated gas turbine conditions are given; these data show the feasibility of operating the seal at conditions of 345 N/sq cm and 152 m/sec sliding speed. Also a spiral groove seal design operated to 244 m/sec is described.

Ludwig, L. P.↗
NASA NTRS1995

G-Jitter Effects in Protein Crystal Growth - A Numerical Study

The impact of spacecraft acceleration environment on Protein Crystal Growth (PCG) is studied. A brief overview of the Space Shuttle acceleration environment is provided followed by a simple scaling procedure used to obtain estimates of the flow and concentration field characteristics in PCG. A detailed two-dimensional numerical model is then used to simulate the PCG system response to different disturbance scenarios; viz. residual g effects, impulse type disturbances and oscillatory inputs. The results show that PCG is susceptible to g-jitter and is a good candidate for vibration isolation.

Ramachandran, N.↗