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At least 235 records · Page 13

Influence of Combined Whole-Body Vibration Plus G-Loading on Visual Performance

Recent engineering analyses of the integrated Ares-Orion stack show that vibration levels for Orion crews have the potential to be much higher than those experienced in Gemini, Apollo, and Shuttle vehicles. Of particular concern to the Constellation Program (CxP) is the 12 Hz thrust oscillation (TO) that the Ares-I rocket develops during the final ~20 seconds preceding first-stage separation, at maximum G-loading. While the structural-dynamic mitigations being considered can assure that vibration due to TO is reduced to below the CxP crew health limit, it remains to be determined how far below this limit vibration must be reduced to enable effective crew performance during launch. Moreover, this "performance" vibration limit will inform the operations concepts (and crew-system interface designs) for this critical phase of flight. While Gemini and Apollo studies provide preliminary guidance, the data supporting the historical limits were obtained using less advanced interface technologies and very different operations concepts. In this study, supported by the Exploration Systems Mission Directorate (ESMD) Human Research Program, we investigated display readability-a fundamental prerequisite for any interaction with electronic crew-vehicle interfaces-while observers were subjected to 12 Hz vibration superimposed on the 3.8 G loading expected for the TO period of ascent. Two age-matched groups of participants (16 general population and 13 Crew Office) performed a numerical display reading task while undergoing sustained 3.8 G loading and whole-body vibration at 0, 0.15, 0.3, 0.5, and 0.7 g in the eyeballs in/out (x-axis) direction. The time-constrained reading task used an Orion-like display with 10- and 14-pt non-proportional sans-serif fonts, and was designed to emulate the visual acquisition and processing essential for crew system monitoring. Compared to the no-vibration baseline, we found no significant effect of vibration at 0.15 and 0.3 g on task error rates (ER) or response times (RT). Significant degradations in both ER and RT, however, were observed at 0.5 and 0.7 g for 10-pt, and at 0.7 g for 14-pt font displays. These objective performance measures were mirrored by participants' subjective ratings. Interestingly, we found that the impact of vibration on ER increased with distance from the center of the display, but only for vertical displacements. Furthermore, no significant ER or RT aftereffects were detected immediately following vibration, regardless of amplitude. Lastly, given that our reading task required no specialized spaceflight expertise, our finding that effects were not statistically distinct between our two groups is not surprising. The results from this empirical study provide initial guidance for evaluating the display readability trade-space between text-font size and vibration amplitude. However, the outcome of this work should be considered preliminary in nature for a number of reasons: 1. The single 12 Hz x-axis vibration employed was based on earlier load-cycle models of the induced TO environment at the end of Ares-I first stage flight. Recent analyses of TO mitigation designs suggest that significant concurrent off-axis vibration may also occur. 2. The shirtsleeve environment in which we tested fails to capture the full kinematic and dynamic complexity of the physical interface between crewmember and the still-to-bematured helmet-suit-seat designs, and the impact these will have for vibration transmission and consequent performance. 3. By examining performance in this reading and number processing task, we are only assessing readability, a first and necessary step that in itself does not directly address the performance of more sophisticated operational tasks such as vehicle-health monitoring or manual control of the vehicle.

readability↗

N 2 vibrational excitation in atmospheric pressure ns pulse and RF plasma jets

Time-resolved N 2 vibrational temperature and translational–rotational temperature in quasi-two-dimensional atmospheric pressure plasma jets sustained by ns pulse and RF discharges in nitrogen/noble gas mixtures are measured by the broadband vibrational Coherent Anti-Stokes Raman Scattering (CARS) . The results indicate a much stronger vibrational excitation in the RF plasma jet, due to the lower reduced electric field and higher discharge power. In a ns pulse discharge in N 2 /He, N 2 vibrational temperature is significantly lower compared to that in N 2 /Ar, due to the more rapid vibration–translation (V–T) relaxation of nitrogen by helium atoms. In the RF plasma jets in N 2 /Ne and N 2 /Ar, the vibrational excitation increases considerably as the nitrogen fraction in the mixture is reduced. The experimental data in the RF plasma jet in N 2 /Ar jet are compared with the kinetic modeling predictions. The results indicate that nitrogen vibrational excitation in N 2 /Ar plasma jets with a small N 2 fraction in the mixture (several percent) is controlled primarily by electron impact, anharmonic vibration–vibration (V–V) pumping, and V–T relaxation by N atoms. In comparison, V–V energy transfer from the vibrationally excited molecules in the first excited electronic state, N 2 (A 3 Σ u + , v), which are generated primarily by the energy transfer from the metastable Ar atoms, has a minor effect on the vibrational populations of the ground electronic state, N 2 (X 1 Σ g + , v). Although the discharge energy fraction going to electronic excitation is significant, the predicted quasi-steady-state N 2 (A 3 Σ u + ) number density, controlled by the energy pooling and quenching by N atoms, remains relatively low. Because of this, the net rate of N 2 (X 1 Σ g + ) vibrational excitation by the V–V energy transfer from N 2 (A 3 Σ u + ) is much lower compared to that by the direct electron impact. Furthermore, the results show that atmospheric pressure RF plasma jets can be used as sources of highly vibrationally excited N 2 molecules and N atoms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental Analysis of a Piezoelectric Energy Harvesting System for Harmonic, Random, and Sine on Random Vibration

Formal journal article Experimental analysis of a piezoelectric energy harvesting system for harmonic, random, and sine on random vibration Abstract: Harvesting power with a piezoelectric vibration powered generator using a full-wave rectifier conditioning circuit is experimentally compared for varying sinusoidal, random and sine on random (SOR) input vibration scenarios. Additionally, the implications of source vibration characteristics on harvester design are discussed. Studies in vibration harvesting have yielded numerous alternatives for harvesting electrical energy from vibrations but piezoceramics arose as the most compact, energy dense means of energy transduction. The rise in popularity of harvesting energy from ambient vibrations has made piezoelectric generators commercially available. Much of the available literature focuses on maximizing harvested power through nonlinear processing circuits that require accurate knowledge of generator internal mechanical and electrical characteristics and idealization of the input vibration source, which cannot be assumed in general application. In this manuscript, variations in source vibration and load resistance are explored for a commercially available piezoelectric generator. We characterize the source vibration by its acceleration response for repeatability and transcription to general application. The results agree with numerical and theoretical predictions for in previous literature that load optimal resistance varies with transducer natural frequency and source type, and the findings demonstrate that significant gains are seen with lower tuned transducer natural frequencies for similar source amplitudes. Going beyond idealized steady state sinusoidal and simplified random vibration input, SOR testing allows for more accurate representation of real world ambient vibration. It is shown that characteristic interactions from more complex vibrational sources significantly alter power generation and power processing requirements by increasing harvested power, shifting optimal conditioning impedance, inducing significant voltage supply fluctuations and ultimately rendering idealized sinusoidal and random analyses insufficient.

alternative power↗

From photoelectron detachment spectra of BrHBr{sup −}, BrDBr{sup −} and IHI{sup −}, IDI{sup −} to vibrational bonding of BrMuBr and IMuI

Photoelectron detachment XLX{sup −}(00{sup 0}0) + hν → XLX(vib) + e{sup −} + KER (X = Br or I, L = H or D) at sufficiently low temperatures photoionizes linear dihalogen anions XLX{sup −} in the vibrational ground state (v{sub 1}v{sub 2}{sup l}v{sub 3} = 00{sup 0}0) and prepares the neutral radicals XLX(vib) in vibrational states (vib). At the same time, part of the photon energy (hν) is converted into kinetic energy release (KER) of the electron [R. B. Metz, S. E. Bradforth, and D. M. Neumark, Adv. Chem. Phys. 81, 1 (1992)]. The process may be described approximately in terms of a Franck-Condon type transfer of the vibrational wavefunction representing XLX{sup −}(00{sup 0}0) from the domain close to the minimum of its potential energy surface (PES) to the domain close to the linear transition state of the PES of the neutral XLX. As a consequence, prominent peaks of the photoelectron detachment spectra (pds) correlate with the vibrational energies E{sub XLX,vib} of states XLX(vib) which are centered at linear transition state. The corresponding vibrational quantum numbers may be labeled vib = (v{sub 1}v{sub 2}{sup l}v{sub 3}) = (00{sup 0}v{sub 3}). Accordingly, the related most prominent peaks in the pds are labeled v{sub 3}. We construct a model PES which mimics the “true” PES in the domain of transition state such that it supports vibrational states with energies E{sub XLX,pds,00{sup 0}v{sub 3}} close to the peaks of the pds labeled v{sub 3} = 0, 2, and 4. Subsequently, the same model PES is also used to calculate approximate values of the energies E{sub XMuX,00{sup 0}0} of the isotopomers XMuX(00{sup 0}0). For the heavy isotopomers XHX and XDX, it turns out that all energies E{sub XLX,00{sup 0}v{sub 3}} are above the threshold for dissociation, which means that all heavy XLX(00{sup 0}v{sub 3}) with wavefunctions centered at the transition state are unstable resonances with finite lifetimes. Turning the table, bound states of the heavy XLX are van der Waals (vdW) bonded. In contrast, the energies E{sub XMuX,00{sup 0}0} of the light isotopomers XMuX(00{sup 0}0) are below the threshold for dissociation, with wavefunctions centered at the transition state. This means that XMuX(00{sup 0}0) are vibrationally bonded. This implies a fundamental change of the nature of chemical bonding, from vdW bonding of the heavy XHX, XDX to vibrational bonding of XMuX. For BrMuBr, the present results derived from experimental pds of BrHBr{sup −} and BrDBr{sup −} confirm the recent discovery of vibrational bonding based on quantum chemical ab initio calculations [D. G. Fleming, J. Manz, K. Sato, and T. Takayanagi, Angew. Chem., Int. Ed. 53, 13706 (2014)]. The extension from BrLBr to ILI means the discovery of a new example of vibrational bonding. These empirical results for the vibrational bonding of IMuI, derived from the photoelectron spectra of IHI{sup −} and IDI{sup −}, are supported by ab initio simulations of the spectra and of the wavefunction representing vibrational bonding of IMuI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Smart Structures for Vibration Control on Long-Term Space Exploration and Habitation Missions

The current vision for space exploration focuses on human missions to the Moon, Mars, and beyond. To support these goals, it is certain that new vehicles and intermediate bases will be developed, whether that means simply re-direction of the ISS as a "mission research facility" or construction of a lunar base. Since these facilities are expected to be constructed from inherently light-weight materials, this work examines some of the potential sources of vibration and noise as well as means for controlling these vibrations. Many of the operating components within these facilities, such as pumps, fans, and motors, will produce vibrations during operation. These vibrations become structure in which they are housed. Resonances can impact acoustic noise levels and noise quality within the environment, possibly affecting crew health and productivity. For long-term missions in particular, it is expected that crew members will spend significant portions of their time restrained in the structure, such as in seats. As a result, the general health and well-being of the crew can be improved by limiting the harmful effects of human exposure to long-term audible and tactile vibration input. Besides the human factor, this work also examines some operational considerations in which vibrations play an important role. Vibrations can impact the environment for science and in-situ manufacturing research within these vehicles. Since a benign vibratory environment is beneficial for most types of science experiments, there is a need for various forms of vibration control. Because the operational characteristics of a vehicle can change during a long-term mission, it is further expected that the characteristics of many of the vibratory excitations will change with time. Consequently, the form of vibration control needed to improve overall habitability and usefulness of the vehicle or element for exploration missions will rely to some degree on the vibration control system's ability to adapt. To address these needs, this work also examines the development and use of smart materials to tune the dynamic characteristics of the structure in a passive sense. One prime example is the use of an adaptive electrical shunt connected to a piezoelectric patch in order to provide tuned passive vibration damping. The work also examines the use of active vibration control, such as by applying power to that same piezoelectric patch. The overall goal is to examine the use of smart structures that can react to the environment thereby improving the overall living, working, and learning environment for these long-term missions.

Gattis, Christy B.↗

Unraveling excitation energy transfer assisted by collective behaviors of vibrations

Abstract We investigate how collective behaviors of vibrations such as cooperativity and interference can enhance energy transfer in a nontrivial way, focusing on an example of a donor–bridge–acceptor trimeric chromophore system coupled to two vibrational degrees of freedom. Employing parameters selected to provide an overall uphill energy transfer from donor to acceptor, we use numerical calculations of dynamics in a coupled exciton–vibration basis, together with perturbation-based analytics and calculation of vibronic spectra, to identify clear spectral features of single- and multi-phonon vibrationally-assisted energy transfer (VAET) dynamics, where the latter include up to six-phonon contributions. We identify signatures of vibrational cooperation and interference that provide enhancement of energy transfer relative to that obtained from VAET with a single vibrational mode. We observe a phononic analogue of two-photon absorption, as well as a novel heteroexcitation mechanism in which a single phonon gives rise to simultaneous excitation of both the trimeric system and the vibrational degrees of freedom. The impacts of vibrations and of the one- and two-phonon VAET processes on the energy transfer are seen to be quite different in the weak and strong site–vibration coupling regimes. In the weak coupling regime, two-phonon processes dominate, whereas in the strong coupling regime up to six-phonon VAET processes can be induced. The VAET features are seen to be enhanced with increasing temperature and site–vibration coupling strength, and are reduced in the presence of dissipation. We analyze the dependence of these phenomena on the explicit form of the chromophore–vibration couplings, with comparison of VAET spectra for local and non-local couplings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Time-resolved CO 2 , CO, and N 2 vibrational population measurements in Ns pulse discharge plasmas

Abstract Time-resolved CO 2 and N 2 vibrational populations and translational-rotational temperature are measured in a CO 2 –N 2 plasma sustained by a ns pulse discharge burst in plane-to-plane geometry. Time-resolved, absolute number density of CO generated in the plasma is also inferred from the experimental data. CO 2 and CO vibrational populations are measured by mid-IR, tunable quantum cascade laser absorption spectroscopy, and N 2 vibrational populations are measured by the ns broadband vibrational CARS. Transient excitation of N 2 and CO 2 asymmetric stretch vibrational energy modes is detected during the discharge burst. The time-resolved rate of CO generation does not correlate with N 2 or CO 2 ( ν 3 ) vibrational temperatures, indicating that CO 2 dissociation via the vibrational excitation is insignificant at the present conditions. The rate of CO generation decreases gradually during the discharge burst. The estimated specific energy cost of the CO product is close to that of N atoms in pure nitrogen, measured previously at similar operating conditions. Comparison of the experimental data with the kinetic modeling analysis indicates that CO 2 dissociation in collisions with electronically excited N 2 molecules is the dominant channel of CO generation at the present conditions, although the inferred CO yield in these processes is significantly lower than 1. The effect of vibrational energy transfer between N 2 and CO 2 on the plasma chemical processes is insignificant. The kinetic model underpredicts a rapid reduction of the N 2 and CO 2 ( ν 3 ) vibrational temperatures during the later half of the discharge burst and in the afterglow. V–T relaxation of N 2 by N and O atoms generated in the ns pulse discharge plasma does not affect the vibrational relaxation rate in a significant way. However, rapid V–T relaxation of CO 2 by O atoms has a significant effect on the relaxation rate. The difference between the experimental data and the modeling predictions may be due to the unknown scaling of the CO 2 –O V–T rates with the vibrational quantum number.

Physics↗

Concorde noise-induced building vibrations: John F. Kennedy International Airport

Outdoor and indoor noise levels resulting from aircraft flyovers and certain nonaircraft events were recorded at eight homesites and a school along with the associated vibration levels in the walls, windows, and floors at these test sites. Limited subjective tests were conducted to examine the human detection and annoyance thresholds for building vibration and rattle caused by aircraft noise. Both vibration and rattle were detected subjectively in several houses for some operations of both the Concorde and subsonic aircraft. Seated subjects more readily detected floor vibrations than wall or window vibrations. Aircraft noise generally caused more window vibrations than common nonaircraft events such as walking and closing doors. Nonaircraft events and aircraft flyovers resulted in comparable wall vibration levels, while floor vibrations were generally greater for nonaircraft events than for aircraft flyovers. The relationship between structural vibration and aircraft noise is linear, with vibration levels being accurately predicted from overall sound pressure levels (OASPL) measured near the structure. Relatively high levels of structural vibration measured during Concorde operations are due more to higher OASPL levels than to unique Concorde-source characteristics.

Mayes, W. H.↗

An analytical study of the effects of transverse shear deformation and anisotropy on natural vibration frequencies of laminated cylinders

Natural vibration frequencies of orthotropic and anisotropic simply supported right circular cylinders are predicted using a higher-order transverse-shear deformation theory. A comparison of natural vibration frequencies predicted by first-order transverse-shear deformation theory and the higher-order theory shows that an additional allowance for transverse shear deformation has a negligible effect on the lowest predicted natural vibration frequencies of laminated cylinders but significantly reduces the higher natural vibration frequencies. A parametric study of the effects of ply orientation on the natural vibration frequencies of laminated cylinders indicates that while stacking sequence affects natural vibration frequencies, cylinder geometry is more important in predicting transverse-shear deformation effects. Interaction curves for cylinders subjected to axial compressive loadings and low natural vibration frequencies indicate that transverse shearing effects are less important in predicting low natural vibration frequencies than in predicting axial compressive buckling loads. The effects of anisotropy are more important than the effects of transverse shear deformation for most strongly anisotropic laminated cylinders in predicting natural vibration frequencies. However, transverse-shear deformation effects are important in predicting high natural vibration frequencies of thick-walled laminated cylinders. Neglecting either anisotropic effects or transverse-shear deformation effects leads to non-conservative errors in predicted natural vibration frequencies.

Jegley, Dawn C.↗

The rate parameters for coupled vibration-dissociation in a generalized SSH approximation

A theoretical study of vibrational excitations and dissociations of nitrogen undergoing a nonequilibrium relaxation process upon heating and cooling is reported. The rate coefficients for collisional induced vibrational transitions and transitions from a bound vibrational state into a dissociative state have been calculated using an extension of the theory originally proposed by Schwarz (SSH) et al. (1952). High-lying vibrational states and dissociative states were explicitly included but rotational energy transfer was neglected. The transition probabilities calculated from the SSH theory were fed into the master equation, which was integrated numerically to determine the population distribution of the vibrational states as well as bulk thermodynamic properties. The results show that: (1) the transition rates have a minimum near the middle of the bound vibrational levels, causing a bottleneck in the vibrational relaxation and dissociation rates; (2) high vibrational states are always in equilibrium with the dissociative state; (3) for the heating case, only the low vibrational states relax according to the Landau-Teller theory; (4) for the cooling case, vibrational relaxation cannot be described by a rate equation; (5) Park's (1985, 1988) two-temperature model is approximately valid; and (6) the average vibrational energy removed in dissociation is about 30 percent of the dissociation energy.

Sharma, Surendra P.↗

Active Control of Panel Vibrations Induced by a Boundary Layer Flow

In recent years, active and passive control of sound and vibration in aeroelastic structures have received a great deal of attention due to many potential applications to aerospace and other industries. There exists a great deal of research work done in this area. Recent advances in the control of sound and vibration can be found in the several conference proceedings. In this report we will summarize our research findings supported by the NASA grant NAG-1-1175. The problems of active and passive control of sound and vibration has been investigated by many researchers for a number of years. However, few of the articles are concerned with the sound and vibration with flow-structure interaction. Experimental and numerical studies on the coupling between panel vibration and acoustic radiation due to flow excitation have been done by Maestrello and his associates at NASA/Langley Research Center. Since the coupled system of nonlinear partial differential equations is formidable, an analytical solution to the full problem seems impossible. For this reason, we have to simplify the problem to that of the nonlinear panel vibration induced by a uniform flow or a boundary-layer flow with a given wall pressure distribution. Based on this simplified model, we have been able to study the control and stabilization of the nonlinear panel vibration, which have not been treated satisfactorily by other authors. The vibration suppression will clearly reduce the sound radiation power from the panel. The major research findings will be presented in the next three sections. In Section II we shall describe our results on the boundary control of nonlinear panel vibration, with or without flow excitation. Section III is concerned with active control of the vibration and sound radiation from a nonlinear elastic panel. A detailed description of our work on the parametric vibrational control of nonlinear elastic panel will be presented in Section IV. This paper will be submitted to the Journal of Acoustic Society of America for publication.

Chow, Pao-Liu↗

Short Duration Bioastronautics Investigation 1904: Human Factors Assessment of Vibration Effects on Visual Performance during Launch

The primary objective of the Short Duration Bioastronautics Investigation (SDBI) 1904 was to determine visual performance limits during Shuttle operational vibration and g-loads, specifically through the determination of minimal usable font sizes using Orion-type display formats. Currently there is little to no data available to quantify human visual performance under the extreme g- and vibration conditions of launch. Existing data on shuttle vibration magnitude and frequency is incomplete and does not address human visual performance. There have been anecdotal reports of performance decrements from shuttle crews, but no structured data have been collected. Previous work by NASA on the effects of vibration and linear g-loads on human performance was conducted during the Gemini era, but these experiments were performed using displays and controls that are dramatically different than current concepts being considered by the Constellation Program. Recently, three investigations of visual performance under vibration have been completed at NASA Ames Research Center: the first examining whole-body vibration, the second employing whole-body vibration coupled with a sustained g-load, and a third examining the effects of peak versus extended duration vibration. However, all of these studies were conducted using only a single x-axis direction (eyeballs in/out). Estimates of thrust oscillations from the Constellation Ares-I first stage are driving the need for realistic human performance requirements. SDBI 1904 was an opportunity to address the need for requirements by conducting a highly focused and applied evaluation in a relevant spaceflight environment. The SDBI was a companion effort to Detailed Test Objective (DTO) 695, which measured shuttle seat accelerations (vibration) during ascent. Data from the SDBI will serve an important role in interpreting the DTO vibration data. Both SDBI 1904 and DTO 695 were low impact with respect to flight resources, and combined, they represent an efficient and focused problem solving approach. This project provided (a) immediate data for developing preliminary human performance vibration requirements; (b) flight validated inputs for ongoing and future ground-based research; and (c) preliminary information related to Orion display format design.

Thompson, Shelby↗

Wireless Inductive Power Device Suppresses Blade Vibrations

Vibration in turbomachinery can cause blade failures and leads to the use of heavier, thicker blades that result in lower aerodynamic efficiency and increased noise. Metal and/or composite fatigue in the blades of jet engines has resulted in blade destruction and loss of lives. Techniques for suppressing low-frequency blade vibration, such as gtuned circuit resistive dissipation of vibratory energy, h or simply "passive damping," can require electronics incorporating coils of unwieldy dimensions and adding unwanted weight to the rotor. Other approaches, using vibration-dampening devices or damping material, could add undesirable weight to the blades or hub, making them less efficient. A wireless inductive power device (WIPD) was designed, fabricated, and developed for use in the NASA Glenn's "Dynamic Spin Rig" (DSR) facility. The DSR is used to simulate the functionality of turbomachinery. The relatively small and lightweight device [10 lb (approx.=4.5 kg)] replaces the existing venerable and bulky slip-ring. The goal is the eventual integration of this technology into actual turbomachinery such as jet engines or electric power generators, wherein the device will facilitate the suppression of potentially destructive vibrations in fan blades. This technology obviates slip rings, which require cooling and can prove unreliable or be problematic over time. The WIPD consists of two parts: a remote element, which is positioned on the rotor and provides up to 100 W of electrical power to thin, lightweight piezoelectric patches strategically placed on/in fan blades; and a stationary base unit that wirelessly communicates with the remote unit. The base unit supplies inductive power, and also acts as an input and output corridor for wireless measurement, and active control command to the remote unit. Efficient engine operation necessitates minimal disturbance to the gas flow across the turbine blades in any effort to moderate blade vibration. This innovation makes it possible to moderate vibration on or in turbomachinery blades by providing 100 W of wireless electrical power and actuation control to thin, lightweight vibration-suppressing piezoelectric patches (eight actuation and eight sensor patches in this prototype, for a total of 16 channels) positioned strategically on the surface of, or within, titanium fan blades, or embedded in composite fan blades. This approach moves significantly closer to the ultimate integration of "active" vibration suppression technology into jet engines and other turbomachinery devices such as turbine electrical generators used in the power industry. The novel feature of this device is in its utilization of wireless technology to simultaneously sense and actively control vibration in rotating or stationary turbomachinery blades using piezoelectric patches. In the past, wireless technology was used solely for sensing and diagnostics. This technology, however, will accomplish much more, in terms of simultaneously sensing, suppressing blade vibration, and making it possible for detailed study of vibration impact in turbomachinery blades.

Morrison, Carlos R.↗

Exploring Local Vibrational Structure in Protein-Bound Chlorophyll a: Isotope-Enrichment Experiments and Electrostatic Analysis

Local chlorophyll (Chl) vibrations play an essential role in biological photosynthesis by facilitating rapid energy transfer between pigments. In research studies, they also provide a useful spectroscopic probe of the local protein environment that surrounds each pigment. However, measuring the complete vibrational absorption spectrum of a protein-bound Chl molecule is much more difficult than, for example, Chl in neat solvent due to overlap with protein vibrations that typically drown out Chl vibrational features. Resonance Raman and fluorescence spectroscopies provide a way around this problem for Franck–Condon active vibrations, but these often rely on cryogenic measurement conditions and fail to capture vibrational signatures from, e.g., ester-group vibrations that lack coupling to a convenient electronic transition. In the present contribution, we use 13 C-enrichment of the protein backbone to shift protein background signals to lower frequency, providing a largely clean spectral window in which to study local Chl a C═O stretch modes. A room-temperature absorption spectrum for Chl a in the water-soluble chlorophyll protein (WSCP) of Lepidium virginicum is thus extracted as a difference between protein-plus-pigment and protein-only vibrational spectra. Excellent agreement in the molecular fingerprint region with the vibrational spectrum of Chl a in organic solvents confirms that the resulting spectrum represents the response of the protein-bound Chl a molecule. Furthermore, the ester group resonance is observed to shift in response to the S53P mutation that eliminates a 17 3 ester group hydrogen bond from the protein environment. Finally, we analyze these experimental results using MD-based electrostatic analysis, finding that electric-field mapping at the C atom of the ester group provides a satisfactory explanation for the observed frequency shifts between organic solvent and protein environment. MD analysis further suggests that a red-shifted ester peak observed experimentally for the S53P mutant results from solvation of the 17 3 Chl ester group due increase water penetration into the Chl-binding pocket relative to wild-type WSCP. Here, we anticipate that these results will prove useful both for benchmarking future simulation work and as a reference for interpreting Chl vibrational spectra as a probe of pigment–protein interactions.

14 SOLAR ENERGY↗

Experimental Studies on Dynamic Vibration Absorber using Shape Memory Alloy (NiTi) Springs

Shape memory alloy (SMA) springs have been used as actuators in many applications although their use in the vibration control area is very recent. Since shape memory alloys differ from conventional alloy materials in many ways, the traditional design approach for springs is not completely suitable for designing SMA springs. Some vibration control concepts utilizing unique characteristics of SMA's will be presented in this paper.A dynamic vibration absorber (DVA) using shape memory alloy (SMA) actuator is developed for attenuation of vibration in a cantilever beam. The design procedure of the DVA is presented. The system consists of a cantilever beam which is considered to generate the real-time vibration using shaker. A SMA spring is used with a mass attached to its end. The stiffness of the SMA spring is dynamically varied in such a way to attenuate the vibration. Both simulation and experimentation are carried out using PID controller. The experiments were carried out by interfacing the experimental setup with a computer using LabVIEW software, Data acquisition and control are implemented using a PCI data acquisition card. Standard PID controllers have been used to control the vibration of the beam. Experimental results are used to demonstrate the effectiveness of the controllers designed and the usefulness of the proposed test platform by exciting the structure at resonance. In experimental setup, an accelerometer is used to measure the vibration which is fed to computer and correspondingly the SMA spring is actuated to change its stiffness to control the vibration. The results obtained illustrate that the developed DVA using SMA actuator is very effective in reducing structural response and have great potential to be an active vibration control medium.

36 MATERIALS SCIENCE↗

Force Limited Vibration Testing

This slide presentation reviews the concept and applications of Force Limited Vibration Testing. The goal of vibration testing of aerospace hardware is to identify problems that would result in flight failures. The commonly used aerospace vibration tests uses artificially high shaker forces and responses at the resonance frequencies of the test item. It has become common to limit the acceleration responses in the test to those predicted for the flight. This requires an analysis of the acceleration response, and requires placing accelerometers on the test item. With the advent of piezoelectric gages it has become possible to improve vibration testing. The basic equations have are reviewed. Force limits are analogous and complementary to the acceleration specifications used in conventional vibration testing. Just as the acceleration specification is the frequency spectrum envelope of the in-flight acceleration at the interface between the test item and flight mounting structure, the force limit is the envelope of the in-flight force at the interface . In force limited vibration tests, both the acceleration and force specifications are needed, and the force specification is generally based on and proportional to the acceleration specification. Therefore, force limiting does not compensate for errors in the development of the acceleration specification, e.g., too much conservatism or the lack thereof. These errors will carry over into the force specification. Since in-flight vibratory force data are scarce, force limits are often derived from coupled system analyses and impedance information obtained from measurements or finite element models (FEM). Fortunately, data on the interface forces between systems and components are now available from system acoustic and vibration tests of development test models and from a few flight experiments. Semi-empirical methods of predicting force limits are currently being developed on the basis of the limited flight and system test data. A simple two degree of freedom system is shown and the governing equations for basic force limiting results for this system are reviewed. The design and results of the shuttle vibration forces (SVF) experiments are reviewed. The Advanced Composition Explorer (ACE) also was used to validate force limiting. Test instrumentation and supporting equipment are reviewed including piezo-electric force transducers, signal processing and conditioning systems, test fixtures, and vibration controller systems. Several examples of force limited vibration testing are presented with some results.

random vibration testing↗

Cis-trans isomerization in the S 1 state of acetylene: Identification of cis-well vibrational levels

A systematic analysis of the S1-trans (Ã 1 A u ) state of acetylene, using IR-UV double resonance along with one-photon fluorescence excitation spectra, has allowed assignment of at least part of every single vibrational state or polyad up to a vibrational energy of 4200 cm–1. Four observed vibrational levels remain unassigned, for which no place can be found in the level structure of the trans-well. The most prominent of these lies at 46 175 cm -1 . Its 13 C isotope shift, exceptionally long radiative lifetime, unexpected rotational selection rules, and lack of significant Zeeman effect, combined with the fact that no other singlet electronic states are expected at this energy, indicate that it is a vibrational level of the S1-cis isomer (ÃA 1 A 2 ). Guided by ab initio calculations [J. H. Baraban, A. R. Beck, A. H. Steeves, J. F. Stanton, and R. W. Field, J. Chem. Phys. 134, 244311 (2011)] of the cis-well vibrational frequencies, the vibrational assignments of these four levels can be established from their vibrational symmetries together with the 13 C isotope shift of the 46 175 cm -1 level (assigned here as cis-3 1 6 1 ). The S 1 -cis zero-point level is deduced to lie near 44 900 cm -1 , and the ν6 vibrational frequency of the S 1 -cis well is found to be roughly 565 cm -1 ; these values are in remarkably good agreement with the results of recent ab initio calculations. The 46 175 cm -1 vibrational level is found to have a 3.9 cm -1 staggering of its K-rotational structure as a result of quantum mechanical tunneling through the isomerization barrier. Such tunneling does not give rise to ammonia-type inversion doubling, because the cis and trans isomers are not equivalent; instead the odd-K rotational levels of a given vibrational level are systematically shifted relative to the even-K rotational levels, leading to a staggering of the K-structure. Furthermore, these various observations represent the first definite assignment of an isomer of acetylene that was previously thought to be unobservable, as well as the first high resolution spectroscopic results describing cis-trans isomerization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the anharmonic vibrational structure of the carbon dioxide dimer

Understanding the vibrational structure of the CO 2 system is important to confirm the potential energy surface and interactions in such van der Waals complexes. In this work, we use our previously developed mbCO2 potential function to explore the vibrational structure of the CO 2 monomer and dimer. The potential function has been trained to reproduce the potential energies at the CCSD(T)-F12b/aug-cc-pVTZ level of electronic structure theory. The harmonic approximation, as well as anharmonic corrections using vibrational structure theories such as vibrational self-consistent field, vibrational second-order Moller-Plesset perturbation, and vibrational configuration interaction (VCI), is applied to address the vibrational motions. We compare the vibrational results using the mbCO2 potential function with traditional electronic structure theory results and to experimental frequencies. The anharmonic results for the monomer most closely match the experimental data to within 3 cm -1 , including the Fermi dyad frequencies. The intermolecular and intramolecular dimer frequencies were treated separately and show good agreement with the most recent theoretical and experimental results from the literature. The VCI treatment of the dimer vibrational motions accounts for vibrational mixing and delocalization, such that we observe the dimer Fermi resonance phenomena, both in the intramolecular and intermolecular regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗