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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 865 records · Page 48

The Association Between Cloud Droplet Number over the Summer Southern Ocean and Air Mass History

The cloud properties and governing processes in Southern Ocean marine boundary layer clouds have emerged as a central issue in understanding the Earth's climate sensitivity. While our understanding of Southern Ocean cloud feedbacks have evolved in the most recent climate model intercomparison, the background properties of simulated summertime clouds in the Southern Ocean are not consistent with measurements due to known biases in simulating cloud condensation nuclei concentrations. This paper presents several case studies collected during the Capricorn 2 and Marcus campaigns held aboard Australian research vessels in the Austral Summer of 2018. Combining the surface–observed cases with MODIS data along forward and backward air mass trajectories, we demonstrate the evolution of cloud properties with time. These cases are consistent with multi–year statistics showing that long trajectories of air masses over the Antarctic ice sheet are critical to creating high droplet number clouds in the high latitude summer Southern Ocean. We speculate that secondary aerosol production via the oxidation of biogenically derived aerosol precursor gasses over the high actinic flux region of the high latitude ice sheets is fundamental to maintaining relatively high droplet numbers in Southern Ocean clouds during Summer.

54 ENVIRONMENTAL SCIENCES↗

Rescue of conformational dynamics in enzyme catalysis by directed evolution

Rational design and directed evolution have proved to be successful approaches to increase catalytic efficiencies of both natural and artificial enzymes. Protein dynamics is recognized as important, but due to the inherent flexibility of biological macromolecules it is often difficult to distinguish which conformational changes are directly related to function. Here, we use directed evolution on an impaired mutant of the proline isomerase CypA and identify two second-shell mutations that partially restore its catalytic activity. We show both kinetically, using NMR spectroscopy, and structurally, by room-temperature X-ray crystallography, how local perturbations propagate through a large allosteric network to facilitate conformational dynamics. The increased catalysis selected for in the evolutionary screen is correlated with an accelerated interconversion between the two catalytically essential conformational sub-states, which are both captured in the high-resolution X-ray ensembles. Our data provide a glimpse of an evolutionary trajectory and show how subtle changes can fine-tune enzyme function.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A neotropical perspective on the uniqueness of the Holocene among interglacials

Abstract Understanding how tropical systems have responded to large-scale climate change, such as glacial-interglacial oscillations, and how human impacts have altered those responses is key to current and future ecology. A sedimentary record recovered from Lake Junín, in the Peruvian Andes (4085 m elevation) spans the last 670,000 years and represents the longest continuous and empirically-dated record of tropical vegetation change to date. Spanning seven glacial-interglacial oscillations, fossil pollen and charcoal recovered from the core showed the general dominance of grasslands, although during the warmest times some Andean forest trees grew above their modern limits near the lake. Fire was very rare until the last 12,000 years, when humans were in the landscape. Here we show that, due to human activity, our present interglacial, the Holocene, has a distinctive vegetation composition and ecological trajectory compared with six previous interglacials. Our data reinforce the view that modern vegetation assemblages of high Andean grasslands and the presence of a defined tree line are aspects of a human-modified landscape.

Science & Technology - Other Topics↗

A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs

One often observes small but measurable differences in the diffraction data measured from different crystals of a single protein. These differences might reflect structural differences in the protein and may reveal the natural dynamism of the molecule in solution. Partitioning these mixed-state data into single-state clusters is a critical step that could extract information about the dynamic behavior of proteins from hundreds or thousands of single-crystal data sets. Mixed-state data can be obtained deliberately (through intentional perturbation) or inadvertently (while attempting to measure highly redundant single-crystal data). To the extent that different states adopt different molecular structures, one expects to observe differences in the crystals; each of the polystates will create a polymorph of the crystals. After mixed-state diffraction data have been measured, deliberately or inadvertently, the challenge is to sort the data into clusters that may represent relevant biological polystates. Here, this problem is addressed using a simple multi-factor clustering approach that classifies each data set using independent observables, thereby assigning each data set to the correct location in conformational space. This procedure is illustrated using two independent observables, unit-cell parameters and intensities, to cluster mixed-state data from chymotrypsinogen (ChTg) crystals. It is observed that the data populate an arc of the reaction trajectory as ChTg is converted into chymotrypsin.

36 MATERIALS SCIENCE↗

Keeping LAMMPS cutting edge

Since its inception 30 years ago, LAMMPS has grown to be a world-class molecular dynamics code and a cornerstone of computational materials science research. This project aimed to keep LAMMPS at the forefront of molecular dynamics simulations by adapting LAMMPS to the latest developments in machine learning technology and hardware. Initially, the project set out to provide a unified implementation of active learning for efficient training data generation in LAMMPS, but the research trajectory pivoted to address more immediate and impactful opportunities. On the hardware side, recent record-breaking molecular dynamics simulations were developed on the Cerebras wafer-scale AI chip, and this project has developed an interface between LAMMPS and the hardware-specific molecular dynamics code to accelerate and simplify development and user adoption. On the software side, PyTorch’s Ahead-of-Time (AOT) compilation features promised increased performance for state-of-the-art equivariant neural network potentials, and this project laid the groundwork for their adoption in LAMMPS, resulting in a nearly 20x acceleration in extreme cases. Combined with a comprehensive benchmark study of LAMMPS across all current exascale systems, this project has reinforced LAMMPS’s role as a versatile, high-performance tool for current and future materials science applications.

36 MATERIALS SCIENCE↗

The determination of the satellite orbit of Mariner 9.

This paper presents a comprehensive analysis of the Mars orbital phase of the Mariner 9 trajectory as determined from Earth based radio data. Both the method and accuracy of the orbit determination process are reviewed. Analysis is presented to show the effects of Mars gravity model and node in the plane of the sky errors on the accuracy of orbit determination. In addition the long term evolution of the orbit from insertion to date is presented, and is decomposed into effects from the Mars gravity field, n-body perturbations, and solar radiation pressure. Since the orbit period is nearly commensurable with the Mars rotational period, the orbit experiences significant resonance perturbations. The primary perturbation is in-track with a maximum amplitude of 1000 km and a wavelength of 39 revolutions.

Born, G. H.↗

Preflight SL-1/SL-3 Skylab VHF ranging coverage (nominal TPI). Antenna and propagation studies for spacecraft systems, task E-531

A preflight assessment of the Skylab VHF ranging coverage for the rendezvous portion of the nominal SL-1/SL-3 mission is reported, assuming a 27 July 1973 SL-3 launch. Data are based on a nominal attitude trajectory, which has the Saturn workshop in a solar inertial attitude throughout the rendezvous; the CSM terminal phase initiation maneuver is nominal. An addendum to this report is being prepared, which considers the effects of early and late TPI maneuvers. Curves are presented which show the variation in received power levels on both spacecraft-to-spacecraft links from about 600 n.mi. range to CSM and SWS station keeping. Appropriate threshold levels are shown on these received power curves to indicate zero circuit margins for the ranging function.

Eisenhauer, D. R.↗

Launch opportunity classification of VEGA and delta V-EGA trajectories to the outer planets

Two concepts in spacecraft trajectory design which have been proposed by Hollenbeck (1975) and Bender and Friedlander (1975) are considered. Both concepts are intended for planetary missions and require an earth reencounter created by either a Venus gravity assist (VEGA) or a large midcourse impulse (delta V-EGA). In the case of outer planet missions, the new concepts offer significantly lower launch energy requirements than the direct ballistic flight mode. However, at least an additional two years flight time is needed for geometry phasing to set up the earth reencounter. A description is given of the trajectory characteristics for the two concepts. Attention is also given to the method of analysis used for the studies, aspects of trajectory generation, payload calculations, and target opportunity data.

Stancati, M. L.↗

Mariner Jupiter/Saturn 1977 mission design tradeoffs

The considered MJS77 project involves the launching of two spacecraft during a one-month launch period which opens on August 20, 1977. Each Mariner craft will perform a flyby mission through the Jupiter and Saturn planetary systems. The targets of the missions are discussed and a spacecraft description is presented. The mission design factors are considered, taking into account details concerning the trajectory selection process, the MJS77 mission module, the remote sensing capability of MJS77 science instruments, and the targeting option of a possible continuation of the mission to Uranus. Attention is given to the search for attractive trajectory candidates, the relationship between Saturn arrival data and Jupiter arrival dates of special interest, and observation sequences.

Kohlhase, C. E.↗

Progress toward a circulation atlas for application to coastal water siting problems

Circulation data needed to resolve coastal siting problems are assembled from historical hydrographic and remote sensing studies in the form of a Circulation Atlas. Empirical data are used instead of numerical model simulations to achieve fine resolution and include fronts and convergence zones. Eulerian and Langrangian data are collected, transformed, and combined into trajectory maps and current vector maps as a function of tidal phase and wind vector. Initial Atlas development is centered on the Elizabeth River, Hampton Roads, Virgina.

Munday, J. C., Jr.↗

Ion tracking in an electrostatic potential distribution

An ion tracking system utilizing a single detector was designed to resolve two dimensional potential distributions in a vacuum. The ion detector consisted of a continuous dynode electron multiplier tube mounted behind a series of aperture plates. The detector was located on a track below a wedge shaped structure used to produce the desired potential distribution. A 150 volt electron beam aimed at selected regions, ionized the residual gas in the chamber. The ions were ejected from their source points by electrostatic forces causing them to drift downward toward the detector. Measurements of particle energy, detector position, and entry angle of the incoming particle flux were used to initialize a computer trajectory-tracing program. The program assumes a known theoretically calculated potential distribution near the wedge for computation of particle trajectories, providing a basis for evaluating the data. Special attention was given to characterization of the ion detector.

Ross, D. P.↗

AAA gunnermodel based on observer theory

The Luenberger observer theory is used to develop a predictive model of a gunner's tracking response in antiaircraft artillery systems. This model is composed of an observer, a feedback controller and a remnant element. An important feature of the model is that the structure is simple, hence a computer simulation requires only a short execution time. A parameter identification program based on the least squares curve fitting method and the Gauss Newton gradient algorithm is developed to determine the parameter values of the gunner model. Thus, a systematic procedure exists for identifying model parameters for a given antiaircraft tracking task. Model predictions of tracking errors are compared with human tracking data obtained from manned simulation experiments. Model predictions are in excellent agreement with the empirical data for several flyby and maneuvering target trajectories.

Kou, R. S.↗

Determination of effective aerodynamic characteristics for entry of External Tank /Space Shuttle/ debris

The effective aerodynamic characteristics for the debris resulting from the Space Shuttle External Tank (ET) are required for estimating the impact points of the debris. The paper develops a methodology that determines the effective values of the aerodynamic parameters required for performing the less complex three-degree-of-freedom (DOF) debris impact analyses. For all of the debris types, 6-DOF mass property and aerodynamic data are computed. From many 6-DOF trajectory simulations, standard deviation range values are calculated. With 3-DOF trajectory matching, these range values are used to determine the effective ballistic coefficient and the range of lift-to-drag ratios for each of the ET debris types defined.

Bonson, S. P.↗

Launch mission summary. SBS-B delta-156

included is information relative to launch windows, vehicle telemetry coverage, real time data flow, telemetry coverage by station, selected trajectory information, and a brief sequence of flight events.

Source record↗

Hybrid position/force control of manipulators

A new conceptually simple approach to controlling compliant motions of a robot manipulator is presented. The 'hybrid' technique described combines force and torque information with positional data to satisfy simultaneous position and force trajectory constraints specified in a convenient task related coordinate system. Analysis, simulation, and experiments are used to evaluate the controller's ability to execute trajectories using feedback from a force sensing wrist and from position sensors found in the manipulator joints. The results show that the method achieves stable, accurate control of force and position trajectories for a variety of test conditions.

Raibert, M. H.↗

On the internal target model in a tracking task

An optimal control model for predicting operator's dynamic responses and errors in target tracking ability is summarized. The model, which predicts asymmetry in the tracking data, is dependent on target maneuvers and trajectories. Gunners perception, decision making, control, and estimate of target positions and velocity related to crossover intervals are discussed. The model provides estimates for means, standard deviations, and variances for variables investigated and for operator estimates of future target positions and velocities.

Caglayan, A. K.↗