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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Seismoacoustic Signatures Observed During a Long-Term Deployment of Infrasound Sensors at the Nevada National Security Site

Earthquakes have repeatedly been shown to produce inaudible acoustic signals (<20 Hz), otherwise known as infrasound. These signals can propagate hundreds to thousands of kilometers and still be detected by ground-based infrasound arrays depending on the source strength, distance between source and receiver, and atmospheric conditions. Another type of signal arrival at infrasound arrays is the seismic induced motion of the sensor itself, or ground-motion-induced sensor noise. Measured acoustic and seismic waves produced by earthquakes can provide insight into properties of the earthquake such as magnitude, depth, and focal mechanism, as well as information about the local lithology and atmospheric conditions. Large earthquakes that produce strong acoustic signals detected at distances greater than 100 km are the most commonly studied; however, more recent studies have found that smaller magnitude earthquakes ($M$ w <2.0) can be detected at short ranges. In that vein, this study will investigate the ability for a long-term deployment of infrasound sensors (deployed as part of the Source Physics Experiments [SPE] from 2014 to 2020) to detect both seismic and infrasonic signals from earthquakes at local ranges (<50 km). Methods used include a combination of spectral analysis and automated array processing, supported by U.S. Geological Survey earthquake bulletins. Further, this investigation revealed no clear acoustic detections for short range earthquakes. However, secondary infrasound from an $M$ w 7.1 earthquake over 200 km away was detected. Important insights were also made regarding the performance of the SPE networks including detections of other acoustic sources such as bolides and rocket launches. Finally, evaluation of the infrasound arrays is performed to provide insight into optimal deployments for targeting earthquake infrasound.

58 GEOSCIENCES↗
NASA NTRS2001

Techniques for Improving Pilot Recovery from System Failures

This project examined the application of intelligent cockpit systems to aid air transport pilots at the tasks of reacting to in-flight system failures and of planning and then following a safe four dimensional trajectory to the runway threshold during emergencies. Two studies were conducted. The first examined pilot performance with a prototype awareness/alerting system in reacting to on-board system failures. In a full-motion, high-fidelity simulator, Army helicopter pilots were asked to fly a mission during which, without warning or briefing, 14 different failures were triggered at random times. Results suggest that the amount of information pilots require from such diagnostic systems is strongly dependent on their training; for failures they are commonly trained to react to with a procedural response, they needed only an indication of which failure to follow, while for 'un-trained' failures, they benefited from more intelligent and informative systems. Pilots were also found to over-rely on the system in conditions were it provided false or mis-leading information. In the second study, a proof-of-concept system was designed suitable for helping pilots replan their flights in emergency situations for quick, safe trajectory generation. This system is described in this report, including: the use of embedded fast-time simulation to predict the trajectory defined by a series of discrete actions; the models of aircraft and pilot dynamics required by the system; and the pilot interface. Then, results of a flight simulator evaluation with airline pilots are detailed. In 6 of 72 simulator runs, pilots were not able to establish a stable flight path on localizer and glideslope, suggesting a need for cockpit aids. However, results also suggest that, to be operationally feasible, such an aid must be capable of suggesting safe trajectories to the pilot; an aid that only verified plans entered by the pilot was found to have significantly detrimental effects on performance and pilot workload. Results also highlight that the trajectories suggested by the aid must capture the context of the emergency; for example, in some emergencies pilots were willing to violate flight envelope limits to reduce time in flight - in other emergencies the opposite was found.

Pritchett, Amy R.↗
NASA NTRS2000

The Collapse of Vapor Bubbles in a Spatially Non-Uniform Flow

Pressure gradients act differently on liquid particles and suspended bubbles and are, therefore, capable of inducing a relative motion between the phases even when no relative velocity initially exists. As a consequence of the enhanced heat transfer in the presence of convection, this fact may have a major impact on the evolution of a vapor bubble. The effect is particularly strong in the case of a collapsing bubble for which, due to the conservation of the system's impulse, the induced relative velocity tends to be magnified when the bubble volume shrinks. A practical application could be, for instance, the enhancement of the condensation rate of bubbles downstream of a heated region, thereby reducing the quality of a flowing liquid-vapor mixture. A simple model of the process, in which the bubble is assumed to be spherical and the flow potential, is developed in the paper.

Hao, Y.↗
NASA NTRS2004

Gravity Wave Forcing of the Mesosphere and Lower Thermosphere: Mountain and Convective Waves Ascending Vertically (MaCWAVE)

The specific objectives of this research effort included the following: 1) Quantification of gravity wave propagation throughout the lower and middle atmosphere in order to define the roles of topographic and convective sources and filtering by mean and low-frequency winds in defining the wave field and wave fluxes at greater altitudes; 2) The influences of wave instability processes in constraining wave amplitudes and fluxes and generating turbulence and transport; 3) Gravity wave forcing of the mean circulation and thermal structure in the presence of variable motion fields and wave-wave interactions, since the mean forcing may be a small residual when wave interactions, anisotropy, and momentum and heat fluxes are large; 4) The statistical forcing and variability imposed on the thermosphere at greater altitudes by the strong wave forcing and interactions occurring in the MLTI.

Fritts, David C.↗
DOE OSTI2020

Phonon-mediated lipid raft formation in biological membranes

Short-wavelength collective molecular motions, also known as phonons, have recently attracted much interest in revealing dynamic properties of biological membranes through the use of neutron and x-ray scattering, infrared and Raman spectroscopies, and molecular dynamics simulations. Experimentally detecting unique vibrational patterns such as, shear phonon excitations, viscoelastic crossovers, transverse acoustic phonon gaps, and continuous and truncated optical phonon modes in cellular membranes, to name a few, has proven non-trivial. Here, we review recent advances in liquid thermodynamics that have resulted in the development of the phonon theory of 1 liquids. The theory has important predictions regarding the shear vibrational spectra of fluids, namely the emergence of viscoelastic crossovers and transverse acoustic phonon gaps. Furthermore, we show that these vibrational patterns are common in soft (non-crystalline) materials, including, but not limited to liquids, colloids, liquid crystals (mesogens), block copolymers, and biological membranes. The existence of viscoelastic crossovers and acoustic phonon gaps define the self-diffusion properties of cellular membranes and provide a molecular picture of the transient nature of lipid rafts.1 Importantly, the timescales (picoseconds) for the formation and dissolution of transient lipid rafts match the lifetime of the formation and breakdown of interfacial water hydrogen bonds. Apart from acoustic propagating phonon modes, biological membranes can also support more energetic non-propagating optical phonon excitations, also known as standing waves or breathing modes. Importantly, optical phonons can be truncated due to the existence of finite size nanodomains made up of strongly correlated lipid-cholesterol molecular pairs. These strongly coupled molecular pairs can serve as nucleation centers for the formation of stable rafts at larger length scales, due to correlations of spontaneous fluctuations (Onsager’s regression hypothesis). Finally and importantly, molecular level viscoelastic crossovers, acoustic phonon gaps, and continuous and truncated optical phonon modes may offer insights as to how lipid-lipid and lipid-protein interactions enable biological function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A combined kinetic Monte Carlo and phase field approach to model thermally activated dislocation motion

In this work, a kinetic Monte Carlo (KMC) scheme is integrated into a phase field dislocation dynamics (PFDD) model to account for thermal activation. While the implementation is general and could be applied to many different thermally activated processes, we apply the model to simulate a dislocation transmitting through an interface. Two cases are analyzed: a dislocation transmitting through a strong interface, and a dislocation transmitting through a more realistic grain boundary in tungsten. In conclusion, results and trends for both cases are discussed in detail, and ultimately show that the combined KMC-PFDD algorithm is effective in capturing thermally activated dislocation processes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Superionic conduction in solid polymer electrolytes – decoupling ion transport from segmental relaxation

Solvent-free, solid polymer electrolytes (SPEs) are promising candidates for next-generation, electrochemical energy storage systems due to their potential to enhance safety and performance, enable flexible device architectures, and streamline manufacturing processes. Conventional SPEs suffer from limited ionic conductivity due to the strong coupling between ion transport and (generally slow) polymer segmental relaxation. The realization of superionic conduction in SPEs, in which ions move faster than the structural relaxation of the polymers, requires a shift in design principles to promote this type of decoupled ion motion. In this perspective, we discuss how polymer architecture, ion–ion correlations, and ion–polymer interactions can unlock superionic behavior. We highlight several key design features, such as crystallinity, bulky side groups, high molecular weight, and percolating ionic aggregation, with a focus on creating low-barrier transport pathways in various polymer systems. We also demonstrate opportunities to combine polymer chemistry and data science through high-throughput and automated screening approaches to reveal how phase behavior, ion dynamics, and ionic interactions govern transport, thereby potentially enabling data-driven discovery of superionic polymer electrolyte materials.

Yang, Mengying [Univ. of Delaware, Newark, DE (Uni↗
DOE OSTI2026

Modeling of injected current stream-induced 3D perturbations in local helicity injection plasmas

Solenoid-free tokamak startup techniques are essential for spherical tokamaks and offer a pathway to cost reduction and design simplification in fusion energy systems. Local helicity injection (LHI) is one such approach, employing compact edge current sources to drive open field line current that initiates and sustains tokamak plasmas. The recently commissioned Pegasus-III Experiment provides a platform for advancing this and other solenoid-free startup methods. This study investigates the effect of LHI on magnetic topology in Pegasus-III plasmas. A helical filament model represents the injected current, and the linear plasma response to its three-dimensional field is calculated with M3D-C1. Poincaré mapping reveals substantial flux surface degradation in all modeled cases. The onset of overlapping magnetic structures and large-scale surface deformation begins near Ψ N ≈ 0.37, indicating a broad region of perturbed topology extending toward the edge. In rotating plasmas, both single-fluid and two-fluid models exhibit partial screening of the n = 1 perturbation, with two-fluid calculations showing stronger suppression near the edge. In contrast, the absence of rotation leads to strong resonant field amplification in the single-fluid case, while the two-fluid case with zero electron rotation mitigates this amplification and preserves edge screening. Magnetic probe measurements indicate that modeling the stream with spatial spreading—representing distributed current and/or oscillatory motion—better reproduces measured magnetic power profiles than a rigid filament model. The results underscore the role of rotation and two-fluid physics in screening stream perturbations and point to plasma flow measurements and refined stream models as key steps toward improving predictive fidelity.

Schaefer, Carolyn E. [Univ. of Wisconsin, Madison,↗
NASA NTRS1978

Wind speed and aerosol optical thickness estimates from aircraft observations of sea glitter

A method is proposed whereby the optical characteristics of the bright glitter pattern of the sunlight reflected from water are used to determine wind speed and aerosol optical thickness in the troposphere. Radiances observed from an aircraft are used to derive the aerosol optical thickness and the surface wind speed. A scanning radiometer is used to measure the radiances in several spectral channels within 45 deg of the nadir and in a plane transverse to the aircraft motion. The observations are taken under nearly cloudless sky conditions over the Pacific Ocean (long. 130.4 deg, lat. 42.3 deg), and the aircraft height is 150 m above water with a 292-deg heading. It is shown that the derived wind speed depends strongly on the width of the glitter pattern, and that the width of the computed radiance pattern at the 150-m aircraft height diverges from the measured value, indicating overestimated wind speed.

Ahmad, Z.↗
NASA NTRSDate not supplied

NASA’s Orion Crew Module Seakeeping Simulation and Test Comparisons in Ocean Wave Environments

The NASA Orion Crew Module (CM) post-landing seakeeping and uprighting capabilities are being evaluated across a variety of ocean wave conditions. This paper provides an overview of quarter-scale and full-scale test data and how it compares with the CM seakeeping dynamic simulation results evaluated using Wave Energy Convertor Simulator (WEC-Sim).This includes a discussion of the status of the dynamic modeling effort, correlation of model inputs with the wave field from the test, and a comparison of the results against the physical test data with emphasis on the full-scale results. Analysis in the frequency domain showed similar response characteristics between the model and the test and shows energy peaks corresponding to both the natural response and the forced response due to the wave environment. Time domain comparisons showed that the linear WEC-Sim model under predicted the amplitude of the pitch and roll motion of the test article, with improved matching for smaller, longer crested waves. An attempt was made to correlate the pitch/roll response to incident wave slope to account for a possible delay in the BTA’s response. The results did not show a strong relationship in the response characteristics to incident wave slope, but better correlation was seen by comparing responses in the frequency domain. Evaluation of the simulation’s ability to match test results aided in understanding the current fidelity of the CM model in WEC-Sim and identifying areas for model improvement

Abigail Lockard↗
NASA NTRS2006

Tilt and Translation Motion Perception during Pitch Tilt with Visual Surround Translation

The central nervous system must resolve the ambiguity of inertial motion sensory cues in order to derive an accurate representation of spatial orientation. Previous studies suggest that multisensory integration is critical for discriminating linear accelerations arising from tilt and translation head motion. Visual input is especially important at low frequencies where canal input is declining. The NASA Tilt Translation Device (TTD) was designed to recreate postflight orientation disturbances by exposing subjects to matching tilt self motion with conflicting visual surround translation. Previous studies have demonstrated that brief exposures to pitch tilt with foreaft visual surround translation produced changes in compensatory vertical eye movement responses, postural equilibrium, and motion sickness symptoms. Adaptation appeared greatest with visual scene motion leading (versus lagging) the tilt motion, and the adaptation time constant appeared to be approximately 30 min. The purpose of this study was to compare motion perception when the visual surround translation was inphase versus outofphase with pitch tilt. The inphase stimulus presented visual surround motion one would experience if the linear acceleration was due to foreaft self translation within a stationary surround, while the outofphase stimulus had the visual scene motion leading the tilt by 90 deg as previously used. The tilt stimuli in these conditions were asymmetrical, ranging from an upright orientation to 10 deg pitch back. Another objective of the study was to compare motion perception with the inphase stimulus when the tilts were asymmetrical relative to upright (0 to 10 deg back) versus symmetrical (10 deg forward to 10 deg back). Twelve subjects (6M, 6F, 22-55 yrs) were tested during 3 sessions separated by at least one week. During each of the three sessions (out-of-phase asymmetrical, in-phase asymmetrical, inphase symmetrical), subjects were exposed to visual surround translation synchronized with pitch tilt at 0.1 Hz for a total of 30 min. Tilt and translation motion perception was obtained from verbal reports and a joystick mounted on a linear stage. Horizontal vergence and vertical eye movements were obtained with a binocular video system. Responses were also obtained during darkness before and following 15 min and 30 min of visual surround translation. Each of the three stimulus conditions involving visual surround translation elicited a significantly reduced sense of perceived tilt and strong linear vection (perceived translation) compared to pre-exposure tilt stimuli in darkness. This increase in perceived translation with reduction in tilt perception was also present in darkness following 15 and 30 min exposures, provided the tilt stimuli were not interrupted. Although not significant, there was a trend for the inphase asymmetrical stimulus to elicit a stronger sense of both translation and tilt than the out-of-phase asymmetrical stimulus. Surprisingly, the inphase asymmetrical stimulus also tended to elicit a stronger sense of peak-to-peak translation than the inphase symmetrical stimulus, even though the range of linear acceleration during the symmetrical stimulus was twice that of the asymmetrical stimulus. These results are consistent with the hypothesis that the central nervous system resolves the ambiguity of inertial motion sensory cues by integrating inputs from visual, vestibular, and somatosensory systems.

O'Sullivan, Brita M.↗
DOE OSTI2023

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Maximized lateral inhibition in paired magnetic domain wall racetracks for neuromorphic computing

Lateral inhibition is an important functionality in neuromorphic computing, modeled after the biological neuron behavior that a firing neuron deactivates its neighbors belonging to the same layer and prevents them from firing. In most neuromorphic hardware platforms lateral inhibition is implemented by external circuitry, thereby decreasing the energy efficiency and increasing the area overhead of such systems. Recently, the domain wall—magnetic tunnel junction (DW-MTJ) artificial neuron is demonstrated in modeling to be intrinsically inhibitory. Without peripheral circuitry, lateral inhibition in DW-MTJ neurons results from magnetostatic interaction between neighboring neuron cells. However, the lateral inhibition mechanism in DW-MTJ neurons has not been studied thoroughly, leading to weak inhibition only in very closely-spaced devices. This work approaches these problems by modeling current- and field- driven DW motion in a pair of adjacent DW-MTJ neurons. We maximize the magnitude of lateral inhibition by tuning the magnetic interaction between the neurons. The results are explained by current-driven DW velocity characteristics in response to an external magnetic field and quantified by an analytical model. Dependence of lateral inhibition strength on device parameters is also studied. Finally, lateral inhibition behavior in an array of 1000 DW-MTJ neurons is demonstrated. Our results provide a guideline for the optimization of lateral inhibition implementation in DW-MTJ neurons. Finally, with strong lateral inhibition achieved, a path towards competitive learning algorithms such as the winner-take-all are made possible on such neuromorphic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1993

Measuring rapid ocean tidal earth orientation variations with very long baseline interferometry

Ocean tidal effects on universal time and polar motion (UTPM) are investigated at four nearly diurnal (K(sub 1), P(sub 1), O(sub 1), and Q(sub 1)) and four nearly semidiurnal (K(sub 2), S(sub 2), M(sub 2), and N(sub 2)) frequencies by analyzing very long baseline interferometry (VLBI) data extending from 1978 to 1992. We discuss limitations of comparisons between experiment and theory for the retograde nearly diurnal polar motion components due to their degeneracy with prograde components of the nutation model. Estimating amplitudes of contributions to the modeled VLBI observables at these eight frequencies produces a statistically highly significant improvement of 7 mm to the residuals of a fit to the observed delays. Use of such an improved UTPM model also reduces the 14-30 mm scatter of baseline lengths about a time-linear model of tectonic motion by 3-14 mm, also withhigh significance levels. A total of 28 UTPM ocean tidal amplitudes can be unambiguously estimated from the data, with resulting UTI and PM magnitudes as large as 21 micro secs and 270 microarc seconds and formal uncertainties of the order of 0.3 micro secs and 5 microarc secs for UTI and PM, respectively. Empirically determined UTPM amplitudes and phases are com1pared to values calculated theoretically by Gross from Seiler's global ocean tide model. The discrepancy between theory and experiment is larger by a factor of 3 for UTI amplitudes (9 micro secs) than for prograde PM amplitudes (42 microarc secs). The 14-year VLBI data span strongly attenuates the influence of mismodeled effects on estimated UTPM amplitudes and phases that are not coherent with the eight frequencies of interest. Magnitudes of coherent and quasi-coherent systematic errors are quantified by means of internal consistency tests. We conclude that coherent systematic effects are many times larger than the formal uncertainties and can be as large as 4 micro secs for UTI and 60 microarc secs for polar motion. On the basis of such ealistic error estimates, 22 of the 31 fitted UTPM ocean tidal amplitudes differ from zero by more than 2 sigma.

Sovers, O. J.↗
DOE OSTI2022

Multi-state Catalysts Modulated by Mechanical Force (Final Report)

The development of more efficient catalytic processes and new approaches to control catalytic activity and selectivity are central to the realization of more selective, atom economic, and energy efficient routes to value added chemicals and polymers. The reactivity and selectivity of a transition metal catalyst is intimately related to the ligand-sphere geometry and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another, resulting in sub-optimal efficiency. Macroscopic mechanical forces are both large, potentially much larger than interatomic forces, and are directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. As such, mechanical force represents a heretofore untapped approach to modulate catalyst geometry, with the potential to reversibly modulate catalyst geometry on the timescale of catalytic turnover or monomer enchainment. This project has addressed the fundamental challenges in material-to-molecule strain coupling associated with the development of a new class of mechanically responsive catalysts (mechanocatalysts) in which active organotransition metal catalysts are strategically embedded in a flexible polymer network such that application of external mechanical force (stretching or deformation) leads to modulation of catalyst geometry, and hence reactivity and selectivity. Our efforts during the tenure of this grant were directed toward the elucidation of force-reactivity relationships of elementary transformations that occur within the first coordination sphere of a transition metal complex employing stiff stilbene photoswitches tethered to a flexible bidentate phosphine ligand derived from MeOBiphep as molecular force probes which provide a range of compressive and extension forces to the coupled transition metal complex depending on the geometry of the stiff stilbene and length of the tethering chains. During the tenure of this grant, we have quantified the rate of C(sp 2 )-C(sp 2 ) reductive elimination from platinum(II) diaryl complexes containing bis(phosphine) force probe ligands as a function of mechanical force; compressive forces decreased the rate of reductive elimination whereas extension forces increased the rate relative to the strain-free MeOBiphep complex with a 3.4-fold change in rate over a ~290 pN range of restoring forces. In a similar manner, we have quantified the rate of oxidative addition of bromobenzene to low-ligated palladium(0) complexes containing force probe ligands as a function of mechanical force; compressive forces increase the rate of oxidative addition, whereas tensile forces decrease the rate with a ~6 fold change in rate across ~340 pN of force applied to the complexes. In both cases, experimental and computational analyses argue strongly against any significant force-induced perturbation of ground state geometry within the first coordination sphere of the reactant complexes. Rather, the force/rate behavior observed for these transformations across these ranges of forces is attributed to the coupling of force to the nuclear motion comprising the reaction coordinates for reductive elimination and oxidative addition. These results together inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle and suggest opportunities to experimentally map geometry changes associated with reactions in transition metal complexes and potential strategies for force-modulated catalysis.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1987

Theoretical modelling of the fine structures in sunspots

Until a decade ago most solar physicists thought of a sunspot as the upper end of a giant flux tube floating vertically. The existence of umbral dots and penumbral grains has been known for several decades. On the basis of available observations, they seem to be regions of photospheric intensity with upflowing gas motion and magnetic fields much weaker than in the surrounding sunspot surface. It has also been suggested that the differences in the appearances of umbral dots and granular cells are caused by the highly nonlinear nature of the convection problem in the presense of strong magnetic fields. The main ideas are presented here without any equations. It can be shown that a pocket of field free gas surrounded by a vertical magnetic field in the presence of gravity takes up the shape of a tapering column ending at a vertex at the top. Some convection is expected to take place in the trapped field free gas, whereas the magnetic field around it makes those regions stable against convection. Eventually the apex of the tapering column reaches the photospheric surface where the bulging of the magnetic field makes the field no longer able to close on the field free gas and trap it underneath.

Choudhuri, Arnab Rai↗
NASA NTRS1990

Periodic variations in the activity of Comet P/Halley during the 1985/1986 apparition

A search for periodic variation in the production of gas and dust by Comet Halley has been performed using narrowband photometric measurements from four sites - Lowell Observatory, Mauna Kea Observatory, Perth Observatory, and Cerro Tololo Inter-American Observatory. The method of phase dispersion minimization was applied to observations made during 164 observing nights between September 1985 and June 1986. A clear-cut variation, with a period near 7.4 days, was present throughout the postperihelion window. Less conclusive evidence of a similar period has been found in the pre-perihelion data. No indication of a shorter period or of strong sporadic activity exists in the data. The observations require that Halley's nucleus returns to essentially the same orientation with respect to the sun approximately every 7.4 days except for longer-timescale seasonal evolution. This fact precludes certain proposed models of nuclear motion.

Schleicher, David G.↗
NASA NTRS1991

The compressible mixing layer

The capability of turbulence modeling correctly to handle natural unsteadiness appearing in compressible turbulent flows is investigated. Physical aspects linked to the unsteadiness problem and the role of various flow parameters are analyzed. It is found that unsteady turbulent flows can be simulated by dividing these motions into an 'organized' part for which equations of motion are solved and a remaining 'incoherent' part represented by a turbulence model. Two-equation turbulence models and second-order turbulence models can yield reasonable results. For specific compressible unsteady turbulent flow, graphic presentations of different quantities may reveal complementary physical features. Strong compression zones are observed in rapid flow parts but shocklets do not yet occur.

Vandromme, Dany↗