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At least 1,531 records · Page 85

Neutral buoyancy simulation of space telerobotics operations

A number of neutral buoyancy versions of space telerobots have been tested in the Space Research Laboratory to understand the potential roles for telerobotic systems in space operations. Particular attention is given to details of the well-modeled dynamic environment, the existence of sizable data base on EVA operations in neural buoyancy with correlation to flight experience, and routine access to a number of high-fidelity mockups of past and planned operational spacecraft. The compromises necessary for the design and construction of neutral buoyancy telerobotic systems are discussed, and data from a number of past simulations, including correlation of neutral buoyancy structural assembly with EVA flight data, and preliminary tests of telerobotic servicing of Hubble Space Telescope are summarized.

Akin, David L.↗

Molecular Investigation of Oxidized Graphene: Anatomy of the Double-Layer Structure and Ion Dynamics

We investigated the influence of surface oxidization of planar graphene electrodes on charge storage and ion dynamics of supercapacitors. Our approach compared two distinct ionic liquid (IL) electrolytes: tetraethylammonium tetrafluoroborate solvated in acetonitrile (TEA-BF4/ACN) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide solvated in acetonitrile (EMIm-TFSI/ACN). Both experimental electrochemical tests and molecular dynamics (MD) simulations showed positive, electrolyte-specific influences of hydroxyl-free electrode interfaces on capacitance. In the EMIm-TFSI/ACN system, the hydroxylated surface, because of its strong interaction with anions, impeded surface charge storage. On the other hand, in the case of TEA-BF4/ACN, the distribution and orientation of ACN across the system exerted vital influence on the capacitance, especially on the positive hydroxyl-free electrode. Furthermore, MD simulations of ion mobility with respect to the electrode surface in the lateral and perpendicular directions revealed significantly slower diffusion performance on the oxidized surface. Our efforts enhanced the level of fundamental understanding of the effects of hydroxyl groups on electrode–electrolyte interfaces and resulting supercapacitor performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Load and dynamic assessment of B-52B-008 carrier aircraft for finned configuration 1 space shuttle solid rocket booster decelerator subsystem drop test vehicle. Volume 1: Summary

The B-52B airplane was identified for use in solid rocket booster (RSB) parachute drop flight testing. The purpose of this study was to determine by theoretical analysis methods the compatability and structural capability of B-52B drop test vehicle configuration (with fins) to accomplish the drop test mission. This document consist of four volumes. This volume presents a summary of airplane flutter and load strength evaluation analysis results and a comparative study of the pylon loading resulting from drop test vehicle inertia and aerodynamic considerations.

Quade, D. A.↗

High spatiotemporal variability of bacterial diversity over short time scales with unique hydrochemical associations within a shallow aquifer

Understanding microbial community structure and function within the subsurface is critical to assessing overall quality and maintenance of groundwater; however, the factors that determine microbial community assembly, structure, and function in groundwater systems and their impact on water quality remains poorly understood. In this study, three shallow wells (FW301, FW303, FW305) in a non-contaminated shallow aquifer in the ENIGMA-Oak Ridge Field Research Center (Oak Ridge, TN) were sampled approximately 3 times a week over a period of three months to measure changes in groundwater geochemistry and microbial diversity. It was expected that the sampled microbial diversity from two historic field wells (FW301, FW303) would be relatively stable, while diversity from a newer well (FW305) would be less stable over time. The wells displayed some degree of hydrochemical variability over time unique to each well, with FW303 being overall the most stable well and FW301 being the most dynamic based upon dissolved oxygen, conductivity, and nitrate. Community analysis via ss-rRNA paired-end sequencing and distribution-based clustering revealed higher OTU richness, diversity, and variability in groundwater communities of FW301 than the other two wells for diversity binned over all time points. Microbial community composition of a given well was on average > 50% dissimilar to any other well at a given time (days), yet, functional gene diversity as measured with GeoChip remained relatively constant. Similarities in community structure across wells were observed with respect to the presence of 20 shared bacterial groups in all samples in all wells, although at varying levels over the tested time period. Similarity percentage (SIMPER) analysis revealed that variability in FW301 was largely attributed to low abundance, highly-transient populations, while variability in the most hydrochemically stable well (FW303) was due to fluctuations in more highly abundant and frequently present taxa. Additionally, the youngest well FW305 showed a dramatic shift in community composition towards the end of the sampling period that was not observed in the other wells, suggesting possible succession events over time. Time-series analysis using vector auto-regressive models and Granger causality showed unique relationships between richness and geochemistry over time in each well. Finally, these results indicate temporally dynamic microbial communities over short time scales, with day-to-day population shifts in local community structure influenced by available source community diversity and local groundwater hydrochemistry.

59 BASIC BIOLOGICAL SCIENCES↗

Design Rules for Two–Dimensional Organic Semiconductor–Incorporated Perovskites (OSiP) Gleaned from Thousands of Simulated Structures

Two-dimensional (2D) halide perovskites are an attractive class of hybrid perovskites that have additional optoelectronic tunability due to their accommodation of relatively large organic ligands. Nevertheless, contemporary ligand design depends on either expensive trial-and-error testing of whether a ligand can be integrated within the lattice or conservative heuristics that unduly limit the scope of ligand chemistries. Here, the structural determinants of stable ligand incorporation within Ruddlesden-Popper (RP) phase perovskites are established by molecular dynamics (MD) simulations of over ten-thousand RP-phase perovskites and training of machine learning classifiers capable of predicting structural stability based solely on generalizable ligand features. The simulation results show near-perfect predictions of positive and negative literature examples, predict trade-offs between several ligand features and stability, and ultimately predict an inexhaustibly large 2D-compatible ligand design-space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Possibility of an integrated transmission electron microscope: enabling complex in-situ experiments

Abstract Multimodal in-situ experiments are the wave of the future, as this approach will permit multispectral data collection and analysis during real-time nanoscale observation. In contrast, the evolution of technique development in the electron microscopy field has generally trended toward specialization and subsequent bifurcation into more and more niche instruments, creating a challenge for reintegration and backward compatibility for in-situ experiments on state-of-the-art microscopes. We do not believe this to be a requirement in the field; therefore, we propose an adaptive instrument that is designed to allow nearly simultaneous collection of data from aberration-corrected transmission electron microscopy (TEM), probe-corrected scanning transmission electron microscopy, ultrafast TEM, and dynamic TEM with a flexible in-situ testing chamber, where the entire instrument can be modified as future technologies are developed. The value would be to obtain a holistic understanding of the underlying physics and chemistry of the process-structure–property relationships in materials exposed to controlled extreme environments. Such a tool would permit the ability to explore, in-situ, the active reaction mechanisms in a controlled manner emulating those of real-world applications with nanometer and nanosecond resolution. If such a powerful tool is developed, it has the potential to revolutionize our materials understanding of nanoscale mechanisms and transients. Graphical Abstract

36 MATERIALS SCIENCE↗

Extreme elevational migration spurred cryptic speciation in giant hummingbirds

The ecoevolutionary drivers of species niche expansion or contraction are critical for biodiversity but challenging to infer. Niche expansion may be promoted by local adaptation or constrained by physiological performance trade-offs. For birds, evolutionary shifts in migratory behavior permit the broadening of the climatic niche by expansion into varied, seasonal environments. Broader niches can be short-lived if diversifying selection and geography promote speciation and niche subdivision across climatic gradients. To illuminate niche breadth dynamics, we can ask how “outlier” species defy constraints. Of the 363 hummingbird species, the giant hummingbird (Patagona gigas) has the broadest climatic niche by a large margin. To test the roles of migratory behavior, performance trade-offs, and genetic structure in maintaining its exceptional niche breadth, we studied its movements, respiratory traits, and population genomics. Satellite and light-level geolocator tracks revealed an >8,300-km loop migration over the Central Andean Plateau. This migration included a 3-wk, ~4,100-m ascent punctuated by upward bursts and pauses, resembling the acclimatization routines of human mountain climbers, and accompanied by surging blood-hemoglobin concentrations. Extreme migration was accompanied by deep genomic divergence from high-elevation resident populations, with decisive postzygotic barriers to gene flow. The two forms occur side-by-side but differ almost imperceptibly in size, plumage, and respiratory traits. The high-elevation resident taxon is the world’s largest hummingbird, a previously undiscovered species that we describe and name here. The giant hummingbirds demonstrate evolutionary limits on niche breadth: when the ancestral niche expanded due to evolution (or loss) of an extreme migratory behavior, speciation followed.

Science & Technology - Other Topics↗

Aerodynamic heating in large cavities in an array of RSI tiles

A large panel of reusable surface insulation (RSI) tiles including lost tile cavities was aerothermally tested in the Langley 8 foot high temperature structures tunnel to determine both the heat load within the cavities and the structural performance of the RSI surrounding the cavities. Tests were conducted with a turbulent boundary layer at a nominal free stream Mach number of 6.6, a total temperature of 1800 K, a Reynolds number per meter of 5 million, and a dynamic pressure of 62 kPa. The maximum aerodynamic heating to the floor of the cavity was two to three times the normal surface heating. The cavity heating rates agreed with data from other facilities and were successfully correlated with an empirical equation. A zippering failure occurred to a tile downstream of a double tile cavity when the separated flow attached to the floor of the cavity and forced the tile from its position.

Hunt, L. R.↗

Propeller tip vortex - A possible contributor to aircraft cabin noise

Wind tunnel model tests support the hypothesis that a propeller tip vortex may subject a downstream wing surface to greater excitation than would be experienced by the aircraft fuselage side wall exposed to propeller-generated noise, ultimately transmitting this structural response to incident dynamic pressure to the cabin interior. Even if structure-borne excitations are less efficient than airborne excitations in the creation of cabin noise, the higher level of the former could still govern cabin noise levels.

Miller, B. A.↗

Solar Concentrator Advanced Development Program

The Solar Concentrator Advanced Development Project has successfully designed, fabricated, and tested a full scale prototypical solar dynamic concentrator for space station applications. A Truss Hexagonal Panel reflector was selected as a viable solar concentrator concept to be used for space station applications. This concentrator utilizes a modular design approach and is flexible in attainable flux profiles and assembly techniques. The detailed design of the concentrator, which included structural, thermal and optical analysis, identified the feasibility of the design and specific technologies that were required to fabricate it. The needed surface accuracy of the reflectors surface was found to be very tight, within 5 mrad RMS slope error, and results in very close tolerances for fabrication. To meet the design requirements, a modular structure composed of hexagonal panels was used. The panels, made up of graphite epoxy box beams provided the strength, stiffness and dimensional stability needed. All initial project requirements were met or exceeded by hardware demonstration. Initial testing of structural repeatability of a seven panel portion of the concentrator was followed by assembly and testing of the full nineteen panel structure. The testing, which consisted of theodolite and optical measurements over an assembly-disassembly-reassembly cycle, demonstrated that the concentrator maintained the as-built contour and optical characteristics. The facet development effort within the project, which included developing the vapor deposited reflective facet, produced a viable design with demonstrated optical characteristics that are within the project goals.

Knasel, Don↗

Instantaneous response of elastic thin-walled structures with arbitrary open cross section to rapid heating

A generalized modeling and analysis approach of thermally-induced coupled vibrations of elastic thin-walled configurations with arbitrary open cross sections are presented in conjunction with a unified implicit transient methodology. Limited research appears in literature which takes into account the influence of rapid thermal heating effects on structures involving various forms of coupling. As a consequence, the dynamic response of such thin-walled structures of arbitrary open cross section due to rapid heating are described here. Effects involving triple, double, and no coupling between bending and torsional vibrations caused by sudden heating on these structures are examined. Numerical test cases are presented which describe the influence of sudden heating on elastic thin-walled structures of arbitrary open cross sections.

Chen, Xiaoqin↗

Fundamental Aeronautics Program. Subsonic Rotary Wing Project: SRW Aeromechanics Overview/UH-60 Airloads Wind Tunnel Test Summary

Objectives: a) Advance the understanding of phenomena in aerodynamics, dynamics, and active control of rotorcraft. b) Develop and validate first-principles tools. c) Acquire data for tool validation from small and large-scale testing of existing and novel rotorcraft configurations. Recent Accomplishments include: (CFD) - Made significant improvements in structured and unstructured rotorcraft CFD methods (OVERFLOW and FUN3D). (Icing) - a) Continued development of high-fidelity icing analysis tools. b) Completed test of oscillating airfoil in Icing Research Tunnel (IRT). c) Developed plans and began detailed preparations for subscale rotor test in IRT.

Norman, Thomas R.↗

Electric-field control of the nucleation and motion of isolated three-fold polar vertices

Recently various topological polar structures have been discovered in oxide thin films. Despite the increasing evidence of their switchability under electrical and/or mechanical fields, the dynamic property of isolated ones, which is usually required for applications such as data storage, is still absent. Here, we show the controlled nucleation and motion of isolated three-fold vertices under an applied electric field. At the PbTiO 3 /SrRuO 3 interface, a two-unit-cell thick SrTiO 3 layer provides electrical boundary conditions for the formation of three-fold vertices. Utilizing the SrTiO 3 layer and in situ electrical testing system, we find that isolated three-fold vertices can move in a controllable and reversible manner with a velocity up to ~629 nm s -1 . Microstructural evolution of the nucleation and propagation of isolated three-fold vertices is further revealed by phase-field simulations. This work demonstrates the ability to electrically manipulate isolated three-fold vertices, shedding light on the dynamic property of isolated topological polar structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural and Dynamical Design Principles for Iron-Sulfur Clusters in Sequence Defined Polymers

This integrated synthetic and computational effort uses sequence defined polymers such as peptoids, and triazines, capable of mimicking a flexible protein environment to control the positioning of side chains around redox cofactors. This strategy will allow modulation of redox properties through both direct and indirect mechanisms. To this end the aim is defined to test the underlying hypothesis: that principles and critical functionalities governing the binding and tuning of naturally occurring electron carrier co-factors can be identified and used to predictably design and synthesize maquettes based on non-natural polymers resulting in new modular biomimetic scaffolds for Electron Transfer Materials. This will be achieved through design and synthesis of ligands that can stabilize iron-sulfur clusters and tune the redox potential based on sequence.

36 MATERIALS SCIENCE↗

Dynamic and quasi-static strength of additively repaired aluminum

Additive manufacturing has the potential to repair high value components, saving significant time and resources; however, the level of reliability and performance of additive repairs is still relatively unknown. In this work, the structure–property and performance of laser wire additive manufacturing repairs in 1100 aluminum are investigated. Two types of intentional damage are inflicted on the samples and subsequently repaired with pulsed laser deposition additive manufacturing. Quasi-static (10 –3 s –1 ) and high strain-rate (10 –3 s –1 ) mechanical testing is carried out with in situ diagnostics and post-mortem imaging. The results show that while the quasi-static strength and ductility of samples with a repaired region are lower than a pristine sample, the dynamic strength under shock loading is comparable. This work highlights both the potential utility of additive manufacturing for repair purposes, the significant risk of compromised performance of additive parts under specific conditions, and the need to test at varying strain rates to fully characterize material performance.

36 MATERIALS SCIENCE↗

Precision Lunar Laser Ranging For Lunar and Gravitational Science

Laser ranging to retroreflector arrays placed on the lunar surface by the Apollo astronauts and the Soviet Lunar missions over the past 39 years have dramatically increased our understanding of gravitational physics along with Earth and Moon geophysics, geodesy, and dynamics. Significant advances in these areas will require placing modern retroreflectors and/or active laser ranging systems at new locations on the lunar surface. Ranging to new locations will enable better measurements of the lunar librations, aiding in our understanding of the interior structure of the moon. More precise range measurements will allow us to study effects that are too small to be observed by the current capabilities as well as enabling more stringent tests of Einstein's theory of General Relativity. Setting up retroreflectors was a key part of the Apollo missions so it is natural to ask if future lunar missions should include them as well. The Apollo retroreflectors are still being used today, and nearly 40 years of ranging data has been invaluable for scientific as well as other studies such as orbital dynamics. However, the available retroreflectors all lie within 26 degrees latitude of the equator, and the most useful ones within 24 degrees longitude of the sub-earth meridian. This clustering weakens their geometrical strength.

Merkowitz, S. M.↗

A spatially-resolved model of neutron-irradiated tungsten coupling stochastic cluster dynamics and finite deformation plasticity

Structural materials used in nuclear reactors face severe degradation in mechanical properties, such as hardening and embrittlement. At the microscopic scale, this occurs due to creation and accumulation of irradiation-induced defects and their interaction with system dislocations. Although techniques exist which can model evolution of irradiation defects, for instance kinetic transport theory-based models, their interaction with mechanical deformation of the bulk material has not been investigated extensively. In this work, we demonstrate a novel spatially-resolved multiscale coupling between microscopic irradiation defect evolution, modeled using Stochastic Cluster Dynamics (SCD) and macroscopic mechanical deformation modeled using a finite-deformation plasticity model. SCD is used to determine the statistically averaged defect cluster spacing, dependent on operating conditions such as irradiation dose and temperature. This acts as an initial condition that governs the critical resolved shear stress of dislocation glide in the macroscopic plasticity model. This framework is used to predict mechanical behavior in post-mortem test of irradiated Tungsten samples, which has found its importance as structural material used in nuclear reactors. The results obtained using the coupled approach are in good agreement with experimental data of uniaxial tension tests. The model is able to capture the effect of temperature and irradiation dose on the material hardening. Two methods are proposed to estimate hardness – using Tabor's Law relating uniaxial yield stress to hardness and from flat-punch simulations. The results are in reasonable agreement with hardness data from micro-indentation experiments of irradiated Tungsten samples. Finally, the model is also able to reveal microstructural details such as spatial variation in defect density and local stress.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simple Ion Channels: From Structure to Electrophysiology and Back

A reliable way to establish whether our understanding of a channel is satisfactory is to reproduce its measured ionic conductance over a broad range of applied voltages in computer simulations. In molecular dynamics (MD), this can be done by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. Since this approach is computationally very expensive, we have developed a markedly more efficient alternative in which MD is combined with the electrodiffusion (ED) equation. In this approach, the assumptions of the ED equation can be rigorously tested, and the precision and consistency of the calculated conductance can be determined. We have demonstrated that the full current/voltage dependence and the underlying free energy profile for a simple channel can be reliably calculated from equilibrium or non-equilibrium MD simulations at a single voltage. To carry out MD simulations, a structural model of a channel has to be assumed, which is an important constraint, considering that high-resolution structures are available for only very few simple channels. If the comparison of calculated ionic conductance with electrophysiological data is satisfactory, it greatly increases our confidence that the structure and the function are described sufficiently accurately. We examined the validity of the ED for several channels embedded in phospholipid membranes - four naturally occurring channels: trichotoxin, alamethicin, p7 from hepatitis C virus (HCV) and Vpu from the HIV-1 virus, and a synthetic, hexameric channel, formed by a 21-residue peptide that contains only leucine and serine. All these channels mediate transport of potassium and chloride ions. It was found that the ED equation is satisfactory for these systems. In some of them experimental and calculated electrophysiological properties are in good agreement, whereas in others there are strong indications that the structural models are incorrect.

molecular dynamics (MD↗