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NASA NTRS2005

The Influence of Clocking Angle of the Projectile on the Simulated Impact Response of a Shuttle Leading Edge Wing Panel

An analytical study was conducted to determine the influence of clocking angle of a foam projectile impacting a space shuttle leading edge wing panel. Four simulations were performed using LS-DYNA. The leading edge panels are fabricated of multiple layers of reinforced carbon-carbon (RCC) material. The RCC material was represented using Mat 58, which is a material property that can be used for laminated composite fabrics. Simulations were performed of a rectangular-shaped foam block, weighing 0.23-lb., impacting RCC Panel 9 on the top surface. The material properties of the foam were input using Mat 83. The impact velocity was 1,000 ft/s along the Orbiter X-axis. In two models, the foam impacted on a corner, in one model the foam impacted the panel initially on the 2-in.-long edge, and in the last model the foam impacted the panel on the 7-in.- long edge. The simulation results are presented as contour plots of first principal infinitesimal strain and time history plots of contact force and internal and kinetic energy of the foam and RCC panel.

Jackson, Karen E.↗

NASA NTRS2000

Physics of Hard Spheres Experiment: Significant and Quantitative Findings Made

Direct examination of atomic interactions is difficult. One powerful approach to visualizing atomic interactions is to study near-index-matched colloidal dispersions of microscopic plastic spheres, which can be probed by visible light. Such spheres interact through hydrodynamic and Brownian forces, but they feel no direct force before an infinite repulsion at contact. Through the microgravity flight of the Physics of Hard Spheres Experiment (PHaSE), researchers have sought a more complete understanding of the entropically driven disorder-order transition in hard-sphere colloidal dispersions. The experiment was conceived by Professors Paul M. Chaikin and William B. Russel of Princeton University. Microgravity was required because, on Earth, index-matched colloidal dispersions often cannot be density matched, resulting in significant settling over the crystallization period. This settling makes them a poor model of the equilibrium atomic system, where the effect of gravity is truly negligible. For this purpose, a customized light-scattering instrument was designed, built, and flown by the NASA Glenn Research Center at Lewis Field on the space shuttle (shuttle missions STS 83 and STS 94). This instrument performed both static and dynamic light scattering, with sample oscillation for determining rheological properties. Scattered light from a 532- nm laser was recorded either by a 10-bit charge-coupled discharge (CCD) camera from a concentric screen covering angles of 0 to 60 or by sensitive avalanche photodiode detectors, which convert the photons into binary data from which two correlators compute autocorrelation functions. The sample cell was driven by a direct-current servomotor to allow sinusoidal oscillation for the measurement of rheological properties. Significant microgravity research findings include the observation of beautiful dendritic crystals, the crystallization of a "glassy phase" sample in microgravity that did not crystallize for over 1 year in 1g (Earth's gravity), and the emergence of face-centered-cubic (FCC) crystals late in the coarsening process (as small crystallites lost particles to the slow ripening of large crystallites). Significant quantitative findings from the microgravity experiments have been developed describing complex interactions among crystallites during the growth process, as concentration fields overlap in the surrounding disordered phase. Time-resolved Bragg scattering under microgravity captures one effect of these interactions quite conclusively for the sample at a volume fraction of 0.528. From the earliest time until the sample is almost fully crystalline, the size and overall crystallinity grow monotonically, but the number of crystallites per unit volume (number density) falls. Apparently nucleation is slower than the loss of crystallites because of the transfer of particles from small to large crystals. Thus, coarsening occurs simultaneously with growth, rather than following the completion of nucleation and growth as is generally assumed. In the same sample, an interesting signature appears in the apparent number density of crystallites and the volume fraction within the crystallites shortly before full crystallinity is reached. A brief upturn in both indicates the creation of more domains of the size of the average crystallite simultaneous with the compression of the crystallites. Only the emergence of dendritic arms offers a reasonable explanation. The arms would be "seen" by the light scattering as separate domains whose smaller radii of curvature would compress the interior phase. In fiscal year 1999, numerous papers, a doctoral dissertation, and the PHaSE final report were produced. Although this flight project has been completed, plans are in place for a follow-on colloid experiment by Chaikin and Russel that employs a light microscope within Glenn's Fluids and Combustion Facility on the International Space Station. PHaSE is providing us with a deeper understanding of the nure of phase transitions. The knowledge derived has added to the understanding of condensed matter. In addition, the burgeoning study of the dynamics of colloidal self-assembly may lead to the development of a range of photonic materials that control the desirable properties of light. Thus, applications of ordered colloidal structures include not only ultrastructure ceramics, but also photonic crystals and photothermal nanosecond light-switching devices. Industries dealing with semiconductors, electro-optics, ceramics, and composites stand to benefit from such advancements.

Doherty, Michael P.↗

NASA NTRS2010

NASA Tech Briefs, October 2010

Topics covered include: Hybrid Architecture Active Wavefront Sensing and Control; Carbon-Nanotube-Based Chemical Gas Sensor; Aerogel-Positronium Technology for the Detection of Small Quantities of Organic and/or Toxic Materials; Graphene-Based Reversible Nano-Switch/Sensor Schottky Diode; Inductive Non-Contact Position Sensor; High-Temperature Surface-Acoustic-Wave Transducer; Grid-Sphere Electrodes for Contact with Ionospheric Plasma; Enabling IP Header Compression in COTS Routers via Frame Relay on a Simplex Link; Ka-Band SiGe Receiver Front-End MMIC for Transponder Applications; Robust Optimization Design Algorithm for High-Frequency TWTs; Optimal and Local Connectivity Between Neuron and Synapse Array in the Quantum Dot/Silicon Brain; Method and Circuit for In-Situ Health Monitoring of Solar Cells in Space; BGen: A UML Behavior Network Generator Tool; Platform for Post-Processing Waveform-Based NDE; Electrochemical Hydrogen Peroxide Generator; Fabrication of Single, Vertically Aligned Carbon Nanotubes in 3D Nanoscale Architectures; Process to Create High-Fidelity Lunar Dust Simulants; Lithium-Ion Electrolytes Containing Phosphorous-Based, Flame-Retardant Additives; InGaP Heterojunction Barrier Solar Cells; Straight-Pore Microfilter with Efficient Regeneration; Determining Shear Stress Distribution in a Laminate; Self-Adjusting Liquid Injectors for Combustors; Handling Qualities Prediction of an F-16XL-Based Reduced Sonic Boom Aircraft; Tele-Robotic ATHLETE Controller for Kinematics - TRACK; Three-Wheel Brush-Wheel Sampler; Heterodyne Interferometer Angle Metrology; Aligning Astronomical Telescopes via Identification of Stars; Generation of Optical Combs in a WGM Resonator from a Bichromatic Pump; Large-Format AlGaN PIN Photodiode Arrays for UV Images; Fiber-Coupled Planar Light-Wave Circuit for Seed Laser Control in High Spectral Resolution Lidar Systems; On Calculating the Zero-Gravity Surface Figure of a Mirror; Optical Modification of Casimir Forces for Improved Function of Micro- and Nano-Scale Devices; Analysis, Simulation, and Verification of Knowledge-Based, Rule-Based, and Expert Systems; Core and Off-Core Processes in Systems Engineering; Digital Reconstruction Supporting Investigation of Mishaps; and Template Matching Approach to Signal Prediction.

Source record↗

NASA NTRS2005

Two SMA-Actuated Miniature Mechanisms

The figures depict two miniature mechanisms actuated by strips made of shape-memory alloy (SMA). A typical SMA is a nickel-titanium alloy known by the trade name "Flexinol" or "Nitinol." In preparation for a typical application, a suitably sized and shaped piece of an SMA is deformed by a predetermined amount at the lower of two operating temperatures, then mounted in a mechanism. When stroking of the mechanism in one direction is desired, the piece of SMA is heated above a transition temperature to make it return to the "remembered" undeformed state. When stroking of the mechanism in the opposite direction is desired, the SMA is cooled below the transition temperature to make it return to the deformed state. Also, the SMA alloy chosen for a specific application is one that has a transition temperature somewhat above the ambient temperature, so that stroking in one direction or the opposite direction can be achieved by heating the SMA, or refraining from heating the SMA, respectively, above the transition temperature. In the present mechanisms as in typical other SMA mechanisms, the heating is effected by electric currents applied via electrical contacts at the ends of the SMA strips. The purpose served by the mechanism of Figure 1 is to lock or release a flexible latch attachment. In preparation for use in this mechanism, two initially straight SMA strips are deformed into curved springs that, when mounted in the mechanism at ambient temperature, clamp the knob at the lower end of the flexible latch attachment. When heated above their transition temperature by an electric current, the SMA strips return to their original straight configuration, thereby releasing the knob. This mechanism is redundant in the sense that as long as at least one of the two SMA strips straightens when commanded to do so, the knob is released. The mechanism of Figure 2 is suited to any of a variety of applications in which there are requirements for a small mechanism that affords lowtorque rotary actuation through a finite angular range. As shown here, the mechanism is used to rotate a coverlatch pin to a release position. In this case, a straight and flat SMA strip is torsionally deformed to a twist angle of about 90deg by use of a torsion bias spring. When the SMA strip is heated, it rotates to its original straight and flat condition.

Willey, Cliff E.↗

DOE OSTI2025

Bottlebrush Block Copolymer Thin Films

The self-assembly of block copolymers (BCPs) in thin films is governed by interfacial interactions (enthalpy) between the blocks and interfaces (at both the substrate and the surface). Advantage can also be taken of entropy to control the polymer orientation. Here, we synthesized a series of bottlebrush block copolymers (BBCPs), with deuterated polystyrene (DPS) as the core block and poly(solketal acrylate) (PSA) as the corona block, where the backbone length (N BB) and grafting densities (GDs) were varied. The hydrophobic PSA block was converted to a hydrophilic poly(glyceryl acrylate) (PGA) block by solid-state hydrolysis, bringing the BBCP from a disordered state into an ordered state with a lamellar microdomain morphology. The orientation of the morphology as a function of distance from the interfaces was systematically investigated by atomic force microscopy (AFM), interference microscopy, grazing-incidence small-angle X-ray scattering (GISAXS), and grazing-incidence small angle neutron scattering (GISANS). For N BB = 1 (diblock BCP), a mixed lamellar orientation was found. For N BB = 5 (star-like BBCP), a vertical orientation of the lamellar microdomains was found dominantly at the interfaces that propagated into the bulk of the film due to the entropic penalty associated with constraints on the junction points. Increasing the N BB to 50 (rod-like BBCP) and 100 (worm-like BBCP) yielded a random orientation, as the side chains became overcrowded when aligned in the same direction. By reducing the grafting density (GD) of a N BB = 50 BBCP from 100% to 75% and 50% by the incorporation of spacers into the backbone, the steric hindrance of side chains is reduced markedly, facilitating a vertical orientation of the lamellar microdomains. However, the vertical orientation becomes more random within the bulk of the thin film for different BBCP architectures. By modifying the substrate with a layer of PS, the preferential interactions between the core block of the BBCP and the interfaces induce a reconfiguration of the BBCP, drawing the core block out to contact substrate directly driven by enthalpy. Under these conditions, N BB = 5 showed a predominantly parallel orientation of the lamellar microdomains with the corona block minimizing contact with the substrate. Higher N BB values of 50 and 100 showed a more random orientation of the lamellar microdomains at different depths on the PS-modified substrate. Overall, thin-film morphology was regulated by tuning the configuration of the BBCP, varying the entropic contribution to the microdomain orientation.

Chen, Zhan↗

DOE OSTI2025

Early events in G-quadruplex folding captured by time-resolved small-angle X-ray scattering

Abstract Time-resolved small-angle X-ray experiments are reported here that capture and quantify a previously unknown rapid collapse of the unfolded oligonucleotide as an early step in the folding of hybrid 1 and hybrid 2 telomeric G-quadruplex structures. The rapid collapse, initiated by a pH jump, is characterized by an exponential decrease in the radius of gyration from 24.3 to 12.6 Å. The collapse is monophasic and is complete in <600 ms. Additional hand-mixing pH-jump kinetic studies show that slower kinetic steps follow the collapse. The folded and unfolded states at equilibrium were further characterized by SAXS studies and other biophysical tools, showing that G4 unfolding was complete at alkaline pH, but not in LiCl solution as is often claimed. The SAXS Ensemble Optimization Method analysis reveals models of the unfolded state as a dynamic ensemble of flexible oligonucleotide chains with a variety of transient hairpin structures. These results suggest a G4 folding pathway in which a rapid collapse, analogous to molten globule formation seen in proteins, is followed by a confined conformational search within the collapsed particle to form the native contacts ultimately found in the stable folded form.

Biochemistry & Molecular Biology↗

NASA NTRS1997

Colloids and Nucleation

The objectives of the work funded under this grant were to develop a microphotographic technique and use it to monitor the nucleation and growth of crystals of hard colloidal spheres. Special attention is given to the possible need for microgravity studies in future experiments. A number of persons have been involved in this work. A masters student, Keith Davis, began the project and developed a sheet illumination apparatus and an image processing system for detection and analysis. His work on a segmentation program for image processing was sufficient for his master's research and has been published. A post doctoral student Bernie Olivier and a graduate student Yueming He, who originally suggested the sheet illumination, were funded by another source but along with Keith made photographic series of several samples (that had been made by Keith Davis). Data extraction has been done by Keith, Bernie, Yueming and two undergraduates employed on the grant. Results are published in Langmuir. These results describe the sheet lighting technique as one which illuminates not only the Bragg scattering crystal, but all the crystals. Thus, accurate crystal counts can be made for nucleation rate measurements. The strange crystal length scale reduction, observed in small angle light scattering (SALS) studies, following the initial nucleation and growth period, has been observed directly. The Bragg scattering (and dark) crystal size decreases in the crossover region. This could be an effect due to gravitational forces or due to over- compression of the crystal during growth. Direct observations indicate a complex morphology for the resulting hard sphere crystals. The crystal edges are fairly sharp but the crystals have a large degree of internal structure. This structure is a result of (unstable) growth and not aggregation. As yet unpublished work compares growth exponents data with data obtained by SALS. The nucleation rate density is determined over a broad volume fraction range (0.505 to 0.575) and compared to classical nucleation rate calculations. The experimental nucleation rate density varies with volume fraction more slowly than expected theoretically. Gravity may influence nucleation because crystal nuclei are more dense than the surrounding fluid and may be gravitationally convected. The largest observed crystal size was near volume fraction 0.52. Near the freezing point, crystals should grow to large size because nuclei are sparse and there is plenty of room to grow without contacting other crystals. Near melting the opposite is true, with crystals growing into one another shortly after nucleation. The maximum crystal size seen near 0.52 volume fraction suggests that gravitational stresses are limiting crystal growth near freezing.

Ackerson, Bruce↗

NASA NTRS1999

Shear-Sensitive Liquid Crystal Coating Method Applied Through Transparent Test Surfaces

Research conducted at NASA Ames Research Center has shown that the color-change response of a shear-sensitive liquid crystal coating (SSLCC) to aerodynamic shear depends on both the magnitude of the local shear vector and its direction relative to the observer's in-plane line of sight. In conventional applications, the surface of the SSLCC exposed to aerodynamic shear is illuminated with white light from the normal direction and observed from an oblique above-plane view angle of order 30 deg. In this top-light/top-view mode, shear vectors with components directed away from the observer cause the SSLCC to exhibit color-change responses. At any surface point, the maximum color change (measured from the no-shear red or orange color) always occurs when the local vector is aligned with, and directed away from, the observer. The magnitude of the color change at this vector-observer-aligned orientation scales directly with shear stress magnitude. Conversely, any surface point exposed to a shear vector with a component directed toward the observer exhibits a non-color-change response, always characterized by a rusty-red or brown color, independent of both shear magnitude and direction. These unique, highly directional color-change responses of SSLCCs to aerodynamic shear allow for the full-surface visualization and measurement of continuous shear stress vector distributions. The objective of the present research was to investigate application of the SSLCC method through a transparent test surface. In this new back-light/back-view mode, the exposed surface of the SSLCC would be subjected to aerodynamic shear stress while the contact surface between the SSLCC and the solid, transparent wall would be illuminated and viewed in the same geometrical arrangement as applied in conventional applications. It was unknown at the outset whether or not color-change responses would be observable from the contact surface of the SSLCC, and, if seen, how these color-change responses might relate to those observed in standard practice.

Reda, Daniel C.↗

NASA NTRSDate not supplied

Modeling and Simulation Efforts to Support Improved Comfort in ARGOS

BACKGROUND: The Active Response Gravity Offload System (ARGOS) provides an analog environment for extravehicular activity (EVA) testing and training. Discomfort has been observed during longer suited test sessions. While the subject’s core is offloaded during surface EVA evaluations, his/her arms experience full Earth gravity and can become overly fatigued, especially during suited tests which involve reaching and prolonged arm extensions. A device (ARGOS Negation of Gravitational Effects on the Limbs: ANGEL) to offload the weight of the arms and suit sleeves is being developed by JSC’s Flight Systems Branch, and here we present preliminary modeling of that device using the open-source biomechanical tool OpenSim [1,2] with an in-house developed plugin. We analyze a series of motions performed by a single shirt-sleeved subject with goals of characterizing the device, validating the model, and predicting whether reduced gravity conditions (i.e., lunar gravity (Lg) or Martian gravity (Mg)) can be accurately simulated with the device, as well as providing comfort to the ARGOS user. METHODS AND RESULTS: To model the offload device, we augment the OpenSim human model topology with the offload mechanism components and joints, using CAD models to represent the mechanism graphically. The joint angles of the device are either obtained from (1) inverse kinematics (IK) using motion capture markers on the various components of the device or (2) calculated in the OpenSim plugin by modeling how the components configure themselves under the offloading spring tension given a particular IK-derived arm position. Given the joint angles of the device, the resulting force on the arm is computed by the plugin and applied as an external load in inverse dynamics (ID) in order to enable study of overall shoulder joint torques as well as offload achieved. We verify the calculated joint angles by using the inverse kinematic data and the forces from manual measurements of the spring both independently and integrated within the device. We found that calculated joint angles generally represent the angles measured and computed with IK, supporting a possible analysis workflow inputting human motion data and observing system behavior under varied design parameters. In two different device configurations in which the maximum applied force was 131 N, our current model accurately captured force with a difference of 2-3 N from measured loads. Though our initial test was performed with a shirt-sleeve subject, arm weights were added to emulate the weight of the suit sleeve and the subject was positioned in a test stand with a Mark-III Hard Upper Torso (HUT) and Portable Life Support System (PLSS) mockup. Arm range of motion tasks were performed outside of the HUT, inside the HUT, and inside the HUT while using the device. A variety of other upper body tasks were completed as well. In summary, we have developed a model to investigate and verify an upper limb offload device currently in development. We believe this model will be a valuable tool not only for device characterization but also to predict proper configurations to simulate Lg or Mg conditions, investigate range of motion concerns, predict limitations such as internal collisions and contacts, and inform future design improvements.

L B Nilsson↗

NASA NTRS2007

Carbon Nanotubes for Space Photovoltaic Applications

Carbon nanotubes (CNTs) can be envisioned as an individual graphene sheet rolled into a seamless cylinder (single-walled, SWNT), or concentric sheets as in the case of a multi-walled carbon nanotube (MWNT) (1). The role-up vector will determine the hexagonal arrangement and "chirality" of the graphene sheet, which will establish the nanotube to be metallic or semiconducting. The optoelectronic properties will depend directly on this chiral angle and the diameter of the SWNT, with semiconductor types exhibiting a band gap energy (2). Characteristic of MWNTs are the concentric graphene layers spaced 0.34 nm apart, with diameters from 10-200 nm and lengths up to hundreds of microns (2). In the case of SWNTs, the diameters range from 0.4 - 2 nm and lengths have been reported up to 1.5 cm (3). SWNTs have the distinguishable property of "bundling" together due to van der Waal's attractions to form "ropes." A comparison of these different structural types is shown in Figure 1. The use of SWNTS in space photovoltaic (PV) applications is attractive for a variety of reasons. Carbon nanotubes as a class of materials exhibit unprecedented optical, electrical, mechanical properties, with the added benefit of being nanoscale in size which fosters ideal interaction in nanomaterial-based devices like polymeric solar cells. The optical bandgap of semiconducting SWNTs can be varied from approx. 0.4 - 1.5 eV, with this property being inversely proportional to the nanotube diameter. Recent work at GE Global Research has shown where a single nanotube device can behave as an "ideal" pn diode (5). The SWNT was bridged over a SiO2 channel between Mo contacts and exhibited an ideality factor of 1, based on a fit of the current-voltage data using the diode equation. The measured PV efficiency under a 0.8 eV monochromatic illumination showed a power conversion efficiency of 0.2 %. However, the projected efficiency of these junctions is estimated to be > 5 %, especially when one considers the enhanced absorption (from nanotubes whose bandgap is tailored to illumination) and electromagnetic coupling in a network of nanotubes.

Efstathiadis, Harry↗

NASA NTRS1998

Monitoring of Volcanogenic CO2-Induced Tree Kills with AVIRIS Image Data at Mammoth Mountain, California

Elevated cold CO2 emissions from the flank of Mammoth Mountain volcano on the southwest rim of the Long Valley Caldera, eastern California, have been the cause of over 100 acres of dead trees in that area since 1990. The source of the CO2 gas is thought to be from one or more magmatic intrusion(s) beneath Mammoth Mountain and is probably related to a period of seismic unrest that began in 1989. The gas rises to the surface probably from depths of a few kilometers, along faults and fracture zones. The gas is at ambient temperature and diffuses from the soil rather than discharging from distinct vents. Typically, soil gas concentrations in tree-kill areas range from 10% to over 90% CO2 by volume, as compared to normal background of < 1% in healthy forest. The gas composition is predominantly CO2 mixed with air (sulfur gases are not elevated), and C and He isotopic ratios are consistent with a magmatic origin for the gas. The total CO2 emission has been estimated at 1200 tons/day, comparable to the emissions at Kilauea. Some of the dead trees are as old as 250 years, suggesting that similar anomalous gas discharge has not occurred over the previous few hundred years. The delta C-13/12 ratio in the Mammoth Mountain CO2 emission averages about -4.5 (PDB standard). This is consistent with a mantle source for the carbon. However, the large volume of the emission suggests that not all of the CO2 is necessarily being generated from the 1989 intrusion. The voluminous gas could be leaking from a vapor-rich zone, capped by an impermeable layer, that was supplied CO2 from degassing of many small magma bodies that intruded beneath the mountain over a period of decades or centuries. Earthquakes in 1989 could have fractured the capping layer and provided pathways for the escape Of CO2 to the surface. Alternatively, some of the CO2 could be derived from contact metamorphism of carbonate rocks intruded by magma. Carbonate-bearing Paleozoic roof pendents crop out in close proximity to Mammoth Mountain. It is possible that similar rocks could occur at depth beneath Mammoth Mountain, and could have contributed CO2 from thermal decomposition caused from recent intrusions. We hope to determine the C-13/12 ratio of a suite of samples to demonstrate if the carbonate rocks could be the source of at least part of the 1990-97 CO2 emission. To better understand the behavior of the CO2 gas, we have used hyperspectral imagery data of Mammoth Mountain acquired from the Airborne Visual/Infrared Imaging Spectrometer (AVIRIS) to map out areas of dead trees. The areas of tree kill have increased in size from about 50 acres in 1994 to about 100 acres in 1997. Tree kill is the major surface manifestation of the carbon dioxide flux at Mammoth Mountain, is widely dispersed, and has been cursorily mapped by regular field mapping techniques in the area. Initial investigations using airborne digital imagery from the Thematic Mapper Simulator (NS001) and AVIRIS instruments have shown extremely encouraging results for complete delineation of the vegetation anomalies. The most successful maps (when compared with ground truth) were developed using AVIRIS data with spectral angle mapper and matched filter algorithms with a data set that was reduced to maximum variance via the minimum noise fraction transformation. The result of this work is a series of maps that show the tree kill areas occurring in an halo-pattern surrounding the base of Mammoth Mountain. We are applying these same techniques to earlier AVIRIS images of Mammoth Mountain to examine the progression of the tree kill areas over time. Temporal maps of the tree kill areas may assist in constructing a picture of the structure beneath Mammoth Mountain.

Hausback, Brian P.↗

NASA NTRS2003

New ISTP Solar Max: A Multi-Spacecraft Study of the Flow of Ionospheric Plasma

The unique instrumentation on the Polar satellite combined with the simultaneous measurement of different parts of the magnetosphere with multiple satellites make possible the study of magnetospheric processes in a special way. In particular, the study of the ionospheric supply of plasma to the magnetosphere can by accomplished to give important results on the plasmas which drive the dynamics of the magnetosphere. This study concentrated on the period of September to December, 2001 in which the Polar orbit had precessed to the point that the line of apsides was near the equatorial plane. This unique orbital configuration enabled the TIDE instrument to measure outflowing ions across the polar cap and then transit the magnetotail lobes and observe the dramatic change in plasma characteristics as the satellite entered the plasma sheet. Contact was made with investigators on the Cluster and Geotail satellite missions and corresponding time frames were studied in the data. There were two approximate conjunctions between Polar and Geotail and data were compared to look for features which might be related. The higher energy concentration of the Geotail instrument made direct comparisons with TIDE difficult, and the Cluster measurements did not surface any cases that corresponded closely in space and time. There were, however, many interesting aspects of the Polar orbits which permitted the observation of the changing ionospheric outflowing plasma characteristics. As in earlier measurements, the ionospheric plasma could be seen flowing up the magnetic field lines out of the northern and southern polar caps. Its energy suggested a polar wind origin energized by the centrifugal acceleration of flow through the polar cusp. The roughly 10eV ions then moved out into the lobes of the magnetotail where they could be seen flowing toward the plasma sheet in both the northern and southern magnetotail lobes. There was also a double field-aligned region of warm ions observed just outside the plasmasphere, stretching toward the auroral zone and inner plasma sheet boundary. Upon entering the plasma sheet, the plasma energy jumped from 10 s of eV to greater than 1 keV. The single field aligned flows transitioned to highly variable spatially choppy energized ion distributions with a variety of pitch angle configurations. This pattern was quite repeatable in all of the Polar orbits that were examined and are compatible with the source of ions being the polar wind which is then energized to 10 s of eV by the centrifugal acceleration. These modestly energized polar wind ions are then carried to the magnetotail where they are substantially energized by the curvature drift-induced movement across the cross-tail potential of the magnetotail. This latter drift energizes the ions to the energies typically found in the plasma sheet. Subsequent drift and energization can cause the ions to become part of the ring current. The results of this study were presented at the Spring AGU meeting in 2002 and the GEM meeting in June 2003. They are the foundation for a paper that has been submitted by Matthew Huddleston to the Journal of Geophysical Research in December 2003. This work was part of the thesis that Matthew completed in finishing his Ph.D. in Physics at Vanderbilt University.

Chappell, Charles R.↗

DOE OSTI2020

Fourfold alkyl wrapping of a copper(II) porphyrin thwarts macrocycle π–π stacking in a compact supramolecular package

Porphyrins are valuable constituents in optoelectronic, catalytic, and other applications, yet control of intermolecular π–π stacking is invariably essential to attain the desired properties. Superstructures built onto the porphyrin, often via meso -aryl groups, can afford facial encumbrance that suppresses π–π stacking, although some molecular designs have provided insufficient facial coverage and many have entailed cumbersome syntheses. In this study, a copper(II) porphyrin bearing four meso substituents, namely, {10,20-bis[2,6-bis(octyloxy)phenyl]-5,15-dibromoporphinato}copper(II), [Cu(C 64 H 82 Br 2 N 4 O 4 )], was prepared by metalation of the corresponding free-base porphyrin and was characterized by single-crystal X-ray diffraction. The crystal structure reveals a dihedral angle of 111.1 (2)° for the plane of the meso -aryl group relative to the plane of the porphyrin, with both aryl groups tilted in the same direction. Each of the four octyloxy groups exhibits a gauche conformation for the –OCH 2 CH 2 – unit but is extended with four or five anti (–CH 2 CH 2 –/H) conformations thereafter, causing each octyl group to span the dimension of the macrocycle. In a global frame of reference where the two Br atoms define the north/south poles and the two aryl groups are at antipodes on the equator, two octyl groups of one aryl unit project over the northern hemisphere (covering pyrroles A and B ), whereas those of the other aryl unit project over the southern hemisphere (covering pyrroles C and D ). Together, the four octyl groups ensheath the two faces of the porphyrin in a self-wrapped assembly. The closest approach of the Cu atom to an octyl methylene C atom (position 6) is 3.5817 (18) Å, the mean separations of neighboring porphyrin planes are 8.059 (4) and 4.693 (8) Å along the a and c axes, respectively, and the center-to-center distances between the Cu atoms of neighboring porphyrins are 10.2725 (4), 12.2540 (6), and 12.7472 (6) Å along the a , b , and c axes, respectively. The Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots provide information concerning contact interactions in the supramolecular assembly of the solid crystal.

Chemistry↗

DOE OSTI2022

In Situ Studies of the Swelling by an Electrolyte in Electrochemical Doping of Ethylene Glycol-Substituted Polythiophene

Organic mixed ionic electronic conductors (OMIECs) have the potential to enable diverse new technologies, ranging from biosensors to flexible energy storage devices and neuromorphic computing platforms. However, a study of these materials in their operating state, which convolves both passive and potential-driven solvent, cation, and anion ingress, is extremely difficult, inhibiting rational material design. In this report, we present a novel approach to the in situ studies of the electrochemical switching of a prototypical OMIEC based on oligoethylene glycol (oEG) substitution of semicrystalline regioregular polythiophene via grazing-incidence X-ray scattering. Here by studying the crystal lattice both dry and in contact with the electrolyte while maintaining potential control, we can directly observe the evolution of the crystalline domains and their relationship to film performance in an electrochemically gated transistor. Despite the oEG side-chain enabling bulk electrolyte uptake, we find that the crystalline regions are relatively hydrophobic, exhibiting little (less than one water per thiophene) swelling of the undoped polymer, suggesting that the amorphous regions dominate the reported passive swelling behavior. With applied potential, we observe that the π–π separation in the crystals contracts while the lamella spacing increases in a balanced fashion, resulting in a negligible change in the crystal volume. The potential-induced changes in the crystal structure do not clearly correlate to the electrical performance of the film as an organic electrochemical transistor, suggesting that the transistor performance is strongly influenced by the amorphous regions of the film.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Modeling and Analysis for Spent Nuclear Fuel Seismic Testing

Note: This is the final public release version of PNNL-31671 Draft, which was previously released to the sponsor for review. The intent is the public release version will be PNNL-31671. There are no significant changes from the earlier draft version. This unlimited distribution report is the deliverable for M3SF-21PN010202014: Modeling and Analysis for Spent Nuclear Fuel Seismic Testing. This report summarizes the modeling, analysis, and test plan support completed by Pacific Northwest National Laboratory for the spent nuclear fuel dry storage system seismic test plan through May of 2021. Test plan preparation is planned to continue until the seismic test is completed in July of 2022. This report covers preliminary structural dynamic model development and computer-aided design of test hardware. Based on preliminary modeling, the strongest earthquakes under consideration in this test program provide mechanical loading on the spent nuclear fuel that is comparable to the 30 cm cask drop scenario, although the loads do not appear to be strong enough to cause significant permanent deformation of the fuel assembly spacer grids. The potential for grid deformation during the test will be assessed when the proposed shake table motion becomes available. The weakest earthquakes considered in this test are expected to be comparable to the mechanical loads witnessed in the multimodal transportation test of 2017. The horizontal canister system is predicted to provide nearly-uniform loading condition on the fuel assemblies it contains, while the vertical cask system is predicted to cause non-uniform dynamic loads on the fuel assemblies. In the horizontal case, gravity keeps the fuel assemblies in contact with one basket wall surface unless the loads are strong enough to cause a separation. In the vertical case, the fuel assemblies are relatively long and slender, and seismic motion in the anticipated test range is predicted to cause the assemblies to lean, tilt, and impact the basket walls throughout the seismic event. These gap closures are a nonlinear force transmission condition, so the vertical system is expected to have more variation and variability than the horizontal system. While the horizontal system is expected to have a relatively more linear response than the vertical system, there is still the potential for nonlinear behavior in the horizontal system because the fuel assemblies are free to slide, bounce, and impact the basket walls if the seismic loads are strong enough. One major conclusion of this study is that the use of mixed fuel assemblies in the canister will be acceptable. There are differences in overall system response when the mass, center of gravity, or gaps are changed, but the changes in response are within the bounds of a system that contains completely homogeneous fuel assemblies. One important observation is that the loading for each individual fuel assembly within the vertical canister is expected to be different from that of the others because of nonlinearities in the system. The horizontal canister system is expected to have a more uniform and more predictable response than the vertical canister, making variations in fuel assembly characteristics easier to account for. One important recommendation that comes from this modeling work is to repeat some of the strongest shake tests at different angles, particularly for the vertical cask system. Modeling predicts that strong seismic motion will cause the fuel assemblies to close initial gaps and impact the fuel basket walls when the canister is in the vertical cask configuration. Each shake test will impose a pre-defined three-dimensional time history on the cask system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

SANS quantification of bound water in water-soluble polymers across multiple concentration regimes

Contrast-variation small-angle neutron scattering (CV-SANS) is a widely used technique for quantifying hydration water in soft matter systems, but it is predominantly applied in the dilute regime or for systems with a well-defined structure factor. Here, CV-SANS was used to quantify the number of hydration water molecules associating with three water-soluble polymers with different critical solution temperatures and types of water–solute interactions in dilute, semidilute, and concentrated solution through the exploration of novel methods of data fitting and analysis. Multiple SANS fitting workflows with varying levels of model assumptions were evaluated and compared to give insight into SANS model selection. These fitting pathways ranged from general, model-free algorithms to more standard form and structure factor fitting. In addition, Monte Carlo bootstrapping was evaluated as a method to estimate parameter uncertainty through simulation of technical replicates. The most robust fitting workflow for dilute solutions was found to be form factor fitting without CV-SANS ( i.e. polymer in 100% D 2 O). For semidilute and concentrated solutions, while the model-free approach can be mathematically defined for CV-SANS data, the addition of a structure factor imposes physical constraints on the optimization problem, suggesting that the optimal fitting pathway should include appropriate form and structure factor models. The measured hydration numbers were consistent with the number of tightly bound water molecules associated with each monomer unit, and the concentration dependence of the hydration number was largely governed by the chemistry-specific interactions between water and polymer. Polymers with weaker water–polymer interactions ( i.e. those with fewer hydration water molecules) were found to have more bound water at higher concentrations than those with stronger water–polymer interactions due to the increase in the number of forced water–polymer contacts in the concentrated system. This SANS-based method to count hydration water molecules can be applied to polymers in any concentration regime, which will lead to improved understanding of water–polymer interactions and their impact on materials design.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Investigation of Flux Spreading in a Light-Trapping, Planar-Cavity Receiver for Enclosed Solar Particle Heating

Concentrating solar thermal power (CSP) technology development has recently focused on increasing the operating temperatures to accommodate high efficiency power cycles and thermochemical processes. Inert solid particles as heat transfer media enable solar receivers to operate above 700 degrees Celsius resulting in increased system thermal efficiency compared to the conventional molten salt based CSP system. An open-cavity falling-particle solar receiver that can efficiently heat particles by direct heating from concentrated solar radiation faces challenges with large particle losses from wind and unable to support thermochemical reactions. A light-trapping, planar cavity reiver (LTPCR) where particles are indirectly heated can significantly minimize the particle losses during the operation, support thermochemical reactions, and offer scalability potential. The LTPCR features an array of vertical planar receiver/absorber panels arranged within a cavity configuration. Concentrated solar radiation from heliostats is focused onto the receiver walls, where heat is indirectly transferred to solid particles flowing inside the receiver channels. Heat transfer occurs through direct contact between the receiver panel walls and particles, and can be enhanced by fluidizing particles with air. This fluidization increases particle-wall contact and extends particle residence time, maximizing heat transfer efficiency. The unique vertical planar receiver structure originated from a near-blackbody tubular light absorber, effectively distributing the incoming solar beam spread across the panel walls and trapping light. This flux spreading effect, driven by cosine projection, converts high incident solar flux into a lower, more uniform heat flux on the panel walls. This redistribution enhances heat transfer efficiency between particle-wall or reaction gases-wall, while preventing localized overheating of the receiver panel. Indirect planar cavity solar receivers completely separate solid particles from the ambient environment that can greatly reduce the thermal losses in heated particles resulting in high efficiency at high temperatures above 700 degrees Celsius. This design ensures no particle losses to the environment during the operation while open-cavity designs can experience significant particle losses from wind. An experimental investigation was conducted to observe flux spreading on the receiver panel wall. A lab-scale prototype planar receiver, fabricated using Haynes 230 alloy, was tested under direct concentrated solar radiation using the high-flux solar furnace (HFSF) facility at NREL. The experiment was performed under normal peak radiative heat fluxes ranging from 800 to 1900 kW/m2. A temperature distribution on the panel wall was measured using a thermal imaging camera (FLIR A 6600). To prevent overheating at the receiver front tip, prism-shaped heat shields (Zircar UNIFROM C1) were placed in front of the receiver, and their influence on flux spreading was also studied. Absorbed flux distribution on the panel wall was modeled using SolTrace. The total solar power and flux distributions delivered from HFSF were determined based on the heliostat mirror optical properties, direct normal irradiance (DNI) on the on-sun testing days, peak flux measurement during the on-sun testing, and shutter/attenuator settings Due to the large incident angles of the solar beam on the panel wall, the angular optical properties of Haynes 230 alloy and Zircar heat shields were incorporated into the model. This flux distribution model was then integrated into a computational fluid dynamics (CFD) simulation to predict the receiver panel wall temperature, which was compared with the experimental measurements. Both prediction and measurements identified a temperature hotspot at the backside of the panel, indicating that the incident solar beam can fully reach to the rear of the receiver. The heat shields positioned at the front of the receiver effectively reduced the excessive temperature rise at the receiver front tip. Overall, the temperature was well distributed over the panel wall, with a minor hotspot at the back of the receiver. The model slightly overpredicted the temperature, possibly due to discrepancies in optical properties of the panel and an underprediction of thermal loss in the receiver. The advancement of the particle LTPCR offers a viable alternative to open-cavity receivers by addressing particle loss issues. Additionally, it presents a pathway for enabling solar thermochemical processes, extending CSP technology beyond power generation to fuel and chemical production.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

Modeling and Analysis of Stirling Power Convertors

Modeling and Analysis of Stirling Power Convertors Luis A. Rodriguez1 Steven M. Geng, Terry V. Reid, Scott D. Wilson NASA Glenn Research Center, Cleveland, OH, 44135, USA NASA Glenn’s Thermal Energy Conversion Branch is supporting the development of the next generation free-piston Stirling power convertors. American Superconductor (AMSC) and Sunpower Inc. are the two firms under contract to develop the Flexure Isotope Stirling Convertor (FISC) and the Sunpower Robust Stirling Convertor (SRSC), respectively. To comprehend and forecast convertor performance, Sage, ANSYS® Maxwell, and ANSYS® Fluent were used to model the Stirling thermodynamic cycle, alternator electromagnetics, and piston and displacer dynamics. I. Introduction Stirling convertors are being developed by NASA as a potential steady source of electrical power for NASA’s future scientific space missions. Currently, NASA Glenn Research Center has two corporations under contract, American Superconductor (AMSC) and Sunpower Inc., for the development of the next generation of free-piston Stirling convertors for dynamic radioisotope power systems. AMSC is developing the Flexure Isotope Stirling Convertor (FISC), which uses flexures to prevent side motion and rubbing of the piston. Similarly, Sunpower Inc, is developing the Sunpower Robust Stirling Convertor (SRSC). The SRSC uses gas bearings to prevent radial contact of the moving piston. As convertor development continues, it is increasingly important to understand and predict the interactions of components in the system, how they respond to one another, and how they perform as a response to changes in operating conditions. A suitable and enlightening way to demonstrate and foresee these interactions is with the use of accurate modeling software. Sage, ANSYS® Maxwell, and ANSYS® Fluent are the current modeling tools used by NASA to analytically determine convertor performance. Sage is a one-dimensional object-oriented commercial software package used for modeling and optimizing Stirling convertors for Dynamic Radioisotope Power Systems (DRPS) and it is one of the most accurate Stirling convertor codes in use by NASA. This code is the successor to GLIMPS (Globally-Implicit Stirling Cycle Simulation) and GLOP (GLIMPS Optimization) software created by Gedeon Associates [1]. Model input parameters are typically material/gas type, component physical dimensions, temperatures, frequency, charge pressure, and number of time/space nodes. Sage is used to model both the FISC’s and SRSC’s Stirling cycle thermodynamics and piston/displacer dynamics. Performance maps were created and analyzed for both power systems to better understand the relationship between the following conditions: cold-end temperature, hot-end temperature, piston/displacer amplitudes, pressure drop, and thermal input power. The synergy between these conditions will help determine parameter sensitivity. ANSYS® Maxwell was used to create a three-dimensional (3-D) axisymmetric model for both FISC and SRSC alternators. The significant physical components included in each model are the magnets, magnet carrier, outer/inner laminations, and the coil. Inputs to the model are piston amplitude, piston frequency, alternator load, coil resistance, tuning capacitance, and specific material properties. The alternator models calculate terminal voltage, current, piston/current phase, voltage/current phase, coil inductance, terminal power and efficiency. The RI2 losses, core (hysteresis and eddy) losses, and magnet/can eddy losses are also a part of the final results. ANSYS® Fluent is used to build 3-D computational fluid dynamic (CFD) models to examine the Stirling cycle thermodynamics for both the FISC and SRSC systems. Three-dimensional Computer Aided Design (CAD) models were used to create the physical components of each convertor. Steady-state simulations were conducted for hardware testing, prediction of environmental losses during testing, and generation of radiation look-up tables. The model inputs to the aforementioned analysis are the material properties and boundary thermal conditions. The steady-state model calculates temperature and heat flow distributions. Transient 3-D calculations were also part of the CFD analysis. In this study a physically reduced version of the FISC is used to obtain a prediction of available engine power. For the gas bearing SRSC, the transient effort is used to obtain a prediction of bearing pad performance and its sensitivity to micro-channel geometric variation. The model inputs to the transient simulations are the piston amplitude, displacer amplitude, frequency, displacer/piston phase angle, dynamic deforming CFD grid, temperature boundary conditions, and user defined files describing motion profile of piston/displacer. The results of the model are temperature distributions, heat distributions, and PV power produced at pre-determined conditions.

Luis A Rodriguez↗