Search NASA⌕ Search

SEARCH · Search NASA

Results for “vibration data”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Abstract For a small fraction of hot CO 2 molecules immersed in a liquid‐phase CO 2 thermal bath, classical cavity molecular dynamics simulations show that forming collective vibrational strong coupling (VSC) between the C=O asymmetric stretch of CO 2 molecules and a cavity mode accelerates hot‐molecule relaxation. This acceleration stems from the fact that polaritons can be transiently excited during the nonequilibrium process, which facilitates intermolecular vibrational energy transfer. The VSC effects on these rates 1) resonantly depend on the cavity mode detuning, 2) cooperatively depend on Rabi splitting, and 3) collectively scale with the number of hot molecules. For larger cavity volumes, the average VSC effect per molecule can remain meaningful for up to N ≈10 4 molecules forming VSC. Moreover, the transiently excited lower polariton prefers to relax by transferring its energy to the tail of the molecular energy distribution rather than distributing it equally to all thermal molecules. As far as the parameter dependence is concerned, the vibrational relaxation data presented here appear analogous to VSC catalysis in Fabry–Pérot microcavities.

Li, Tao E.↗
DOE OSTI2024

New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

Insensitive high explosives based on TATB (1,3,5-triamino-2,4,6-trinitrobenzene) are needed in applications when safety is of paramount importance, but the basic material properties that give rise to its insensitivity are not fully understood. Molecular dynamics modeling using empirical force fields (FFs) has been the main route to characterize many complicated dynamical properties of TATB single crystal, but these FFs have not been comprehensively tested at extreme conditions typical of detonation. We collect a benchmark data set of (quasi)static TATB physical properties as determined by experiments and electronic structure calculations and apply this data set to validate four existing TATB FFs along with a new TATB FF that we develop here and denote as the CEA-LLNL-Missouri (CLM) FF. Benchmark data include vibrational spectra, the TATB crystal temperature–pressure–volume equation of state and lattice parameters, properties of TATB crystal polymorphs and transitions to the gaseous and liquid states, dimer energy landscapes, the pressure-dependent elastic tensor, and the energy landscape for inelastic deformation via sliding of TATB crystal layers. As a general assessment, we find that the two existing nonreactive FFs are more accurate in describing TATB’s physical properties compared to the two variants of the ReaxFF reactive FF considered. The new CLM FF is found to consistently yield similar or better agreement with experiments and electronic structure theory than any of the existing FF models, and it presents a distinct improvement in accurately modeling TATB elasticity and equation of state. So this work is expected to help improve the accuracy of FF-based modeling of complicated dynamic responses that ultimately govern the safety and performance characteristics of this material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Behavior of Hydrogarnet‐Type Defects in Hydrous Stishovite at Various Temperatures and Pressures

Abstract Dense polymorphs of silica have been demonstrated experimentally to incorporate from 1.5 wt% to as much as 11.6 wt% H 2 O as OH groups, with implications for the hydrogen budgets of Earth and other planets. This OH is thought to enter the SiO 2 structure via a charge‐balanced substitution in which silicon vacancies (V Si ) are compensated by protonating four of the surrounding six oxygen atoms, often referred to as a hydrogarnet‐type defect. There are many possible configurations for this defect structure in dense silica, but the nature of these configurations and whether they can be distinguished experimentally is unknown. We present here density functional theory calculations that systematically assess the possible configurations of a hydrogarnet‐type defect in stishovite (rutile‐type SiO 2 ), with direct comparisons to experimental vibrational spectroscopy data. We predict that stishovite synthesized at 450 K and 10 GPa quenched to room temperature is dominated by a single defect type with tetrahedral geometry. This leads to OH stretching modes (2,500–3,000 cm −1 ) and SiOH bending modes (∼1,400–1,450 cm −1 ) largely consistent with experimentally observed modes. One remaining issue is that our calculations produce results compatible with experimental data on H to D exchange, but do not explain why a considerable fraction of the 1,420 cm −1 mode shifts by only 40 cm −1 in deuterated samples. At elevated pressures and temperatures, we find that a second square planar defect configuration also becomes favorable, leading to modes that should allow differentiation from the tetrahedral configuration.

Geochemistry & Geophysics↗
DOE OSTI2026

Optical Vibrational Spectroscopic Investigation of Natural and Synthetic Analogs of Uranyl Oxyhydroxyhydrate Minerals

Uranyl oxy-hydroxy-hydrate minerals are common alteration products of uraninite (UO2+x) which is chemically and structurally analogous to uranium dioxide nuclear fuel. Therefore, structural and spectroscopic investigations of these alteration minerals and their analogous anthropogenic counterparts can provide insight into the environmental behavior of nuclear fuel cycle materials. Previously, we compiled available vibrational spectroscopic data for uranyl minerals in the Compendium of Uranium Raman and Infrared Experimental Spectra (CURIES) and found that only 37% of known uranyl oxy-hydroxy-hydrate minerals had spectra readily available in the literature and existing databases for inclusion therein. Furthermore, no available infrared spectra for this mineral group were included in CURIES. To expand our understanding of the spectroscopic features of uranyl oxy-hydroxy-hydrates and the structural origins thereof, we collected, and now include in CURIES, Raman and infrared spectra for an additional 12 uranyl hydroxide phases. To better understand the impact of structural and compositional variations of these phases on their spectroscopic features, we compare Raman spectra of different anion sheet topological groups and of analogous phases hosting different counter cations. We identify spectroscopic variations related to differences in equatorial bonding and structural changes as a result of cation substitution. We also prepare a uranyl hydroxide phase via hydrolysis of uranyl fluoride (UO2F2) as an analog of hydrolysis reactions that occur in nuclear fuel cycle materials; and we find that the alteration product of UO2F2, despite chemical and structural similarities to uranyl oxy-hydroxy-hydrate minerals, is readily distinguishable from related mineral phases using Raman spectroscopy. In this work, we provide new insights into the structural origins of spectroscopic features in uranyl oxy-hydroxy-hydrate minerals, improve the average Raman spectrum for this group of minerals, and thereby improve capabilities for identifying these mineral species and related anthropogenic phases using Raman spectroscopy.

Barth, Brodie [ORNL] (ORCID:0000000256142601)↗
NASA NTRS1966

Mariner Mars 1964 flight dynamic data

Telemetry data in and around Mars spacecraft area analyzed for Mariner III and IV space probes by data from vibration transducers on payload and microphones on umbilical tower

TELEMETRY↗
NASA NTRS1973

Function generator for synthesizing complex vibration mode patterns

A simple highly flexible device for synthesizing complex vibration mode patterns is described. These mode patterns can be used to identify vibration mode data. This device sums selected sine and cosine functions and then plots the sum against a linear function.

Naumann, E. C.↗
NASA NTRS1973

Investigation of empirical damping laws for the space shuttle

An analysis of dynamic test data from vibration testing of a number of aerospace vehicles was made to develop an empirical structural damping law. A systematic attempt was made to fit dissipated energy/cycle to combinations of all dynamic variables. The best-fit laws for bending, torsion, and longitudinal motion are given, with error bounds. A discussion and estimate are made of error sources. Programs are developed for predicting equivalent linear structural damping coefficients and finding the response of nonlinearly damped structures.

Bernstein, E. L.↗
NASA NTRS1975

Experimental evaluation of multiplane-multispeed rotor balancing through multiple critical speeds

The experimentally proven range of application of the influence-coefficient balancing method, especially the least-squares procedure, is extended to include the case of multiple bending critical speeds within the operating range of a test rotor. Tests were conducted on a laboratory quality machine capable of speeds up to 18,000 rpm in order to investigate several distinct practical aspects of flexible-rotor balancing. These include: (1) balancing for operation through four bending critical speeds, (2) balancing of rotors mounted in both rigid and flexible bearing supports, (3) balancing of rotors with various amounts of measured vibration-response data and different numbers of correction planes, and (4) balancing of rotors with different arbitrary initial-unbalance configurations. The results show that a lightly damped, flexible rotor can be balanced systematically and efficiently through four bending critical speeds. It is concluded that the influence-coefficient method should be equally applicable to rotors or shafts having more than four bending critical speeds in their operating-speed ranges.

Tessarzik, J. M.↗
NASA NTRS1977

Model verification of large structural systems

A methodology was formulated, and a general computer code implemented for processing sinusoidal vibration test data to simultaneously make adjustments to a prior mathematical model of a large structural system, and resolve measured response data to obtain a set of orthogonal modes representative of the test model. The derivation of estimator equations is shown along with example problems. A method for improving the prior analytic model is included.

Lee, L. T.↗
NASA NTRS1979

Proceedings of the 25th International Instrumentation Symposium, May 7-10, 1979, Anaheim, California

The papers deal essentially with the instrumentation needs of the transportation industry, machinery diagnostics, and energy research. The sessions covered include: acoustic emission, reentry vehicle ground and flight testing, performance of nose tip materials, instrumentation for solar heating and cooling systems, vibration measurement, data acquisition and analysis, system for aerospace pressure measurements, wind tunnel instrumentation and control, energy source instrumentation, nondestructive testing, pressure and flow measurements, automated test facilities, strain measurements, electrooptical instrumentation, thermal measurements, microcomputer applications in instrumentation and automation, flight testing, blast pressure measurement, two-phase liquid/gas mass flow measurement, and machinery monitoring and instrumentation.

Conferences↗
NASA NTRS1985

Demonstration of various rotor instabilities (exhibit of Bently Rotor Dynamics Research Corporation Laborator rigs at symposium on instability in rotaing machinery)

The operation of rotor rigs used to demonstrate various instability phenomena occurring in rotating machines is described. The instability phenomena demonstrated included oil whirl/whip antiswirl, rub, loose rotating parts, water-lubricated bearing instabilities, and cracked shaft. The rotor rigs were also used to show corrective measures for preventing instabilities. Vibrational response data from the rigs were taken with modern, computerized instrumentation. The rotor nonsynchronous perturbation rig demonstrated modal identification techniques for rotor/bearing systems. Computer-aided data acquisition and presentation, using the dynamic stiffness method, makes it possible to identify rotor and bearing parameters for low modes. The shaft mode demonstrator presented the amplified modal shape line of the shaft excited by inertia forces of unbalance (synchronous perturbation). The first three bending modes of the shaft can be demonstrated. The user-friendly software, Orbits, presented a simulation of rotor precessional motion that is characteristic of various instability phenomena. The data presentation demonstration used data measured on a turbine driven compressor train as an example of how computer aided data acquisition and presentation assists in identifying rotating machine malfunctions.

Muszynska, A.↗
NASA NTRS1987

Fluorescence yields from photodissociative excitation of chloromethanes by vacuum ultraviolet radiation

The photoabsorption and fluorescence cross sections of chloromethanes were measured in the 105-220 nm region using synchrotron radiation as a light source. The fluorescence threshold for CCl4 is at 152 nm with a maximum yield of 3 percent at 113 nm. The fluorescence results from the CCl2(A-X) system. For CHCl3, the fluorescence threshold is at 155 nm with a maximum yield of 0.6 percent at 110 nm. For CH2Cl2, the threshold is at 137 nm with a maximum yield of 0.35 percent at 107 nm. The fluorescence yield of CH3Cl is very small with an upper limit of 0.02 percent. The photodissociation processes are discussed in accord with the fluorescence data observed. Vibrational structures in CHCl3 and CH3Cl2 are observed and classified into progressions.

Lee, L. C.↗
NASA NTRS1991

Structural verification of an aged composite reflector

A structural verification program applied to qualifying two heritage composite antenna reflectors for flight on the TOPEX satellite is outlined. The verification requirements and an integrated analyses/test approach employed to meet these requirements are described. Structural analysis results and qualification vibration test data are presented and discussed. It was determined that degradation of the composite and bonding materials caused by long-term exposure to an uncontrolled environment had not severely impaired the integrity of the reflector structures. The reflectors were assessed to be structurally adequate for the intended TOPEX application.

Lou, Michael C.↗