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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Composition and physiological profiling of sprout-associated microbial communities

The native microfloras of various types of sprouts (alfalfa, clover, sunflower, mung bean, and broccoli sprouts) were examined to assess the relative effects of sprout type and inoculum factors (i.e., sprout-growing facility, seed lot, and inoculation with sprout-derived inocula) on the microbial community structure of sprouts. Sprouts were sonicated for 7 min or hand shaken with glass beads for 2 min to recover native microfloras from the surface, and the resulting suspensions were diluted and plated. The culturable fraction was characterized by the density (log CFU/g), richness (e.g., number of types of bacteria), and diversity (e.g., microbial richness and evenness) of colonies on tryptic soy agar plates incubated for 48 h at 30 degrees C. The relative similarity between sprout-associated microbial communities was assessed with the use of community-level physiological profiles (CLPPs) based on patterns of utilization of 95 separate carbon sources. Aerobic plate counts of 7.96 +/- 0.91 log CFU/g of sprout tissue (fresh weight) were observed, with no statistically significant differences in microbial cell density, richness, or diversity due to sprout type, sprout-growing facility, or seed lot. CLPP analyses revealed that the microbial communities associated with alfalfa and clover sprouts are more similar than those associated with the other sprout types tested. Variability among sprout types was more extensive than any differences between microbial communities associated with alfalfa and clover sprouts from different sprout-growing facilities and seed lots. These results indicate that the subsequent testing of biocontrol agents should focus on similar organisms for alfalfa and clover, but alternative types may be most suitable for the other sprout types tested. The inoculation of alfalfa sprouts with communities derived from various sprout types had a significant, source-independent effect on microbial community structure, indicating that the process of inoculation alters the dynamics of community development regardless of the types of organisms involved.

NASA Center KSC↗
NASA NTRS2005

Robotic and Human-Tended Collaborative Drilling Automation for Subsurface Exploration

Future in-situ lunar/martian resource utilization and characterization, as well as the scientific search for life on Mars, will require access to the subsurface and hence drilling. Drilling on Earth is hard - an art form more than an engineering discipline. Human operators listen and feel drill string vibrations coming from kilometers underground. Abundant mass and energy make it possible for terrestrial drilling to employ brute-force approaches to failure recovery and system performance issues. Space drilling will require intelligent and autonomous systems for robotic exploration and to support human exploration. Eventual in-situ resource utilization will require deep drilling with probable human-tended operation of large-bore drills, but initial lunar subsurface exploration and near-term ISRU will be accomplished with lightweight, rover-deployable or standalone drills capable of penetrating a few tens of meters in depth. These lightweight exploration drills have a direct counterpart in terrestrial prospecting and ore-body location, and will be designed to operate either human-tended or automated. NASA and industry now are acquiring experience in developing and building low-mass automated planetary prototype drills to design and build a pre-flight lunar prototype targeted for 2011-12 flight opportunities. A successful system will include development of drilling hardware, and automated control software to operate it safely and effectively. This includes control of the drilling hardware, state estimation of both the hardware and the lithography being drilled and state of the hole, and potentially planning and scheduling software suitable for uncertain situations such as drilling. Given that Humans on the Moon or Mars are unlikely to be able to spend protracted EVA periods at a drill site, both human-tended and robotic access to planetary subsurfaces will require some degree of standalone, autonomous drilling capability. Human-robotic coordination will be important, either between a robotic drill and humans on Earth, or a human-tended drill and its visiting crew. The Mars Analog Rio Tinto Experiment (MARTE) is a current project that studies and simulates the remote science operations between an automated drill in Spain and a distant, distributed human science team. The Drilling Automation for Mars Exploration (DAME) project, by contrast: is developing and testing standalone automation at a lunar/martian impact crater analog site in Arctic Canada. The drill hardware in both projects is a hardened, evolved version of the Advanced Deep Drill (ADD) developed by Honeybee Robotics for the Mars Subsurface Program. The current ADD is capable of 20m, and the DAME project is developing diagnostic and executive software for hands-off surface operations of the evolved version of this drill. The current drill automation architecture being developed by NASA and tested in 2004-06 at analog sites in the Arctic and Spain will add downhole diagnosis of different strata, bit wear detection, and dynamic replanning capabilities when unexpected failures or drilling conditions are discovered in conjunction with simulated mission operations and remote science planning. The most important determinant of future 1unar and martian drilling automation and staffing requirements will be the actual performance of automated prototype drilling hardware systems in field trials in simulated mission operations. It is difficult to accurately predict the level of automation and human interaction that will be needed for a lunar-deployed drill without first having extensive experience with the robotic control of prototype drill systems under realistic analog field conditions. Drill-specific failure modes and software design flaws will become most apparent at this stage. DAME will develop and test drill automation software and hardware under stressful operating conditions during several planned field campaigns. Initial results from summer 2004 tests show seven identifi distinct failure modes of the drill: cuttings-removal issues with low-power drilling into permafrost, and successful steps at executive control and initial automation.

Glass, Brian↗
DOE OSTI2021

Synthesis of magnesiowüstite nanocrystallites embedded in an amorphous silicate matrix via low energy multiple ion implantations

The synthesis process is presented for experimentally simulating modifications in cosmic dust grains using sequential ion implantations or irradiations followed by thermal annealing. Cosmic silicate dust analogues were prepared via implantation of 20–80 keV Fe - , Mg - , and O - ions into commercially available p-type silicon (100)wafers. The as-implanted analogues are amorphous with a Mg/(Fe+Mg) ratio of 0.5 tailored to match theoretical abundances in circumstellar dusts. Before the ion implantations were performed, Monte-Carlo-based ion-solid interaction codes were used to model the dynamic redistribution of the implanted atoms in the silicon substrate. 600 keV helium ion irradiation was performed on one of the samples before thermal annealing. Two samples were thermally annealed at a temperature appropriate for an M-class stellar wind, 1000 K, for 8.3 h in a vacuum chamber with a pressure of 1 x 10 -7 torr. The elemental depth profiles were extracted utilizing Rutherford Backscattering Spectrometry (RBS) in the samples before and after thermal annealing. X-ray diffraction (XRD)analysis was employed for the identification of various phases in crystalline minerals in the annealed analogues. Transmission electron microscopy (TEM) analysis was utilized to identify specific crystal structures. RBS analysis shows redistribution of the implanted Fe, Mg, and O after thermal annealing due to incorporation into the crystal structures for each sample type. XRD patterns along with TEM analysis showed nanocrystalline Mg and Fe oxides with possible incorporation of additional silicate minerals.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Exploiting the Temperature Dependence of Magnetic Susceptibility to Control Convection in Fundamental Studies of Solidification Phenomena

It is well known that convection is a dominant mass transport mechanism when materials are solidified on Earth's surface. This convection is caused by gradients in density (and therefore gravitational force) that are brought about by gradients in temperature, composition or both. Diffusion of solute is therefore dwarfed by convection and the study of fundamental parameters, such as dendrite tip shape and growth velocity in the absence of convection is nearly impossible. Significant experimental work has therefore been carried out in orbiting laboratories with the intent of minimizing convection by minimizing gravity. One of the best known experiments of this kind is the Isothermal Dendritic Growth Experiment (IDGE), supported by NASA. Naturally such experiments are costly and one objective of the present investigation is to develop an experimental method whereby convection can be- halted, in solidification and other experiments, on the surface. A second objective is to use the method to minimize convection resulting from the residual accelerations suffered by experiments in microgravity. The method to be used to minimize convection relies on the dependence of the magnetic susceptibility of a fluid on temperature or composition (whichever is driving convection). All materials experience a force when placed in a magnetic field gradient. The direction and magnitude of that force depend on the magnetic susceptibility of the material. Consequently the force will vary if the susceptibility varies with temperature or composition. With a magnetic field gradient in the right direction (typically upward) and of the right magnitude, this variation in the magnetic force can be made to exactly cancel the variation in the gravitational force. Expressed another way, normal buoyancy is exactly countered by a "magnetic buoyancy". To demonstrate the principle, a solution of MnC12 in water has been used. First the variation of the susceptibility of this paramagnetic solution with temperature and concentration was measured. Then a "cell", containing this solution and 50mm long by 15mm high by 155mm wide, was placed in a superconducting magnet at Marshall Space Flight Center. The magnetic field was measured at various positions within the bore of the magnet using a Hall effect probe. In this way, a position was found where the magnetic field gradient was predominantly upward; the magnitude of the gradient could then be adjusted by adjusting the current of the magnet. The ends of the cell consisted of machined copper blocks maintained at controlled temperatures by circulating water from constant temperature baths. The walls of the cell were of rectangular section glass tubing so that the cell contents could be seen. Velocities arising from thermal gradients within the cell were measured by particle image velocimetry (PIV). Particles used for this purpose were silver-coated hollow glass spheres of micrometers diameter and nearly the same density as the solution. A central vertical plane of the cell was illuminated by a laser beam passing through a cylindrical lens. Digital images of the particles were captured on a CCD camera and fed to a computer so that frame-to-frame movements of particles traveling with the fluid were captured. These images were employed to compute velocity maps using commercial PIV software. In a typical experiment the cold end of the cell was maintained at 10C and the warm end at 30 C. With no current in the magnet, i.e.- with natural -convection allowed to occur, the fluid was observed to circulate with an average speed of approximately 0.3 millimeters per second. It was visually apparent that this circulation was diminished as the current was increased. At currents of approximately 20A the flow was halted, to within the precision of the PIV measurements. At yet higher currents the convection was reversed with the hotter solution sinking and the cooler solution rising. At 40A this reversed convection had speeds averaging 0.43 millimeters per second. The measurements of susceptibility and density allow an estimate of the field gradient necessary to halt convection in the experiment. That estimate was 7.8T (squared) per meter and the convection was observed to halt in the magnet at a current giving 7.21T (squared) per meter from the magnetic field measurements. Calculations of the flow have been carried out using the computational fluid dynamics software FLUENT and show good agreement with the measurements.

Seybert, C. D.↗
NASA NTRSDate not supplied

Investigating Si Bonding Environments in Mercurian Melts

Mercury’s low oxygen fugacity results in lavas with extraordinarily high sulfur contents (> 1 wt%). The high S lowers melt viscosity, but why this occurs is unclear (Mouser et al., 2021). The detection of Si-S bonds (using NMR) in such highly reduced basaltic glasses, suggest that the decreased viscosity is due to changes in the Si bonding environment (Pommier et al., 2023). To investigate further, we synthesized a series of Mercurian glasses at 1 GPa, with S contents ranging from 0-6 wt% and oxygen fugacities from IW-4 to IW-6. The experimental glasses were analyzed by Si K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy and 29Si Nuclear Magnetic Resonance (NMR). Ongoing analyses will include Raman and Fourier Transform Infrared (FTIR). The 29Si NMR analyses suggest the presence of Si-S bonds in the melts, in agreement with Pommier et al. (2023). The Si K-edge XANES spectra show a decrease in K-edge position of 0.4 to 0.6 eV from terrestrial basalts (at ~IW+3) to the experimental melts at IW-4 to IW-6. This shift suggests a moderate (<20 mole %) amount of Si has shifted to lower valence states (Boujibar et al, 2019). The melts contain 0-6 wt% S, so if the K-edge shifts are the results of Si-S bonding, it implies that the majority of the S in the melts is bonded to Si. However, S K-edge XANES analyses indicate that much of the S is also bonded with Mg and Ca at these low oxygen fugacities (Anzures et al, 2020). The implication is that non-bridging Si-S-(Mg,Ca) bonds are prevalent in the reduced melts, consistent with the decrease in viscosity of the melts being due to melt depolymerization. Overall, our results suggest that dissolution of S into the melts at low fO2 is accomplished through bonding with Si, and is accompanied by significant structural changes that lower melt viscosity. Lower melt viscosities will affect many aspects of Mercury’s evolution, from magma ocean dynamics, to melt migration in the mantle, to eruption dynamics and degassing.

Emily L Fischer↗
DOE OSTI2025

First-wall fluxes from large and small ELMs

Experimental analysis at DIII-D shows that small edge localized modes (ELMs) deposit a larger fraction of their energy to the first wall, compared to type-I ELMs in similar magnetic configuration and input power. The energy (λQ) and particle (λΓ) flux decay lengths in the scrape-off layer (SOL) are up to 3 and 5 times larger, respectively, for small ELMs than for larger type-I ELMs. Transport dynamics of ELM filaments in the SOL are found to be related to divertor conditions, where high divertor collisionality, typical for partially detached plasmas, is associated with increased cross field ELM radial fluxes. Results show that a sufficiently large outer wall gap and/or limiters might be needed in future scenarios to protect the first wall, if operating with small ELMs and a cold divertor. This might also have implications for RF heating in future devices, where the coupling efficiency is dependent to some degree to the outer-wall gap.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Hydrogenation of calcite and change in chemical bonding at high pressure: Diamond formation above 100GPa

Synchrotron X-ray diffraction (XRD) and Raman spectroscopy in laser heated diamond anvil cells and first principles molecular dynamics (FPMD) calculations have been used to investigate the reactivity of calcite and molecular hydrogen (H 2 ) at high pressures up to 120 GPa. We find that hydrogen reacts with calcite starting below 0.5 GPa at room temperature forming chemical bonds with carbon and oxygen. This results in the unit cell volume expansion; the hydrogenation level is much higher for powdered samples. Single-crystal XRD measurements at 8–24 GPa reveal the presence of previously reported III, IIIb, and VI calcite phases; some crystallites show up to 4% expansion, which is consistent with the incorporation of ≤ 1 hydrogen atom per formula unit. At 40–102 GPa XRD patterns of hydrogenated calcite demonstrate broadened features consistent with the calcite VI structure with incorporated hydrogen atoms. Above 80 GPa, the C–O stretching mode of calcite splits suggesting a change in the coordination of C–O bonds. Laser heating at 110 GPa results in the formation of C–C bonds manifested in the crystallization of diamond recorded by in situ XRD at 300 K and 110 GPa and by Raman spectroscopy on recovered samples commenced with C 13 calcite. We explored several theoretical models, which show that incorporation of atomic hydrogen results in local distortions of CO 3 groups, formation of corner-shared C–O polyhedra, and chemical bonding of H to C and O, which leads to the lattice expansion and vibrational features consistent with the experiments. In conclusion, the experimental and theoretical results support recent reports on tetrahedral C coordination in high-pressure carbonate glasses and suggest a possible source of the origin of ultradeep diamonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Performance of microchannel plate based detectors for <25 keV x rays: Monte Carlo simulations and comparisons with experimental results

We present the results of Monte Carlo simulations of the microchannel plate (MCP) response to x rays in the 250 eV to 25 keV energy range as a function of both x-ray energy and impact angle and their comparisons with the experimental results from the X8A beamline at the National Synchrotron Light Source at Brookhaven National Laboratory. Incoming x rays interact with the lead glass of the microchannel plate, producing photoelectrons. Transport of the photoelectrons is neglected in this model, and it is assumed that photoelectrons deposit all their energy at the point they are created. This deposition leads to the generation of many secondary electrons, some fraction of which diffuse to the MCP pore surface where they can initiate secondary electron cascades in the pore under an external voltage bias. X-ray penetration through multiple MCP pore walls is increasingly important above 5 keV, and the effect of this penetration on MCP performance is studied. In agreement with past measurements, we find that the dependence of MCP sensitivity with angle relative to the pore bias changes from a cotangent dependence to angular independence and then proceeds to a secant dependence as the x-ray energy increases. We also find that with the increasing x-ray energy, the MCP gain sensitivity as a function of bias voltage decreases. The simulations also demonstrate that for x rays incident normal to the MCP surface, spatial resolution shows little dependence on the x-ray energy but degrades with the increasing x-ray energy as the angle of incidence relative to the surface normal increases. This agrees with experimental measurements. Simulation studies have also been completed for MCPs gated with a subnanosecond voltage pulse. In this work, we find that the optical gate profile width increases as the x-ray energy is increased above 5 keV, a consequence of increased x-ray penetration at energies >5 keV. Simulations of the pulsed dynamic range show that the dynamic range varies between ~100 and 1000 depending on x-ray energy and peak voltage.

47 OTHER INSTRUMENTATION↗
NASA NTRS2015

Time-Accurate Unsteady Pressure Loads Simulated for the Space Launch System at Wind Tunnel Conditions

A transonic flow field about a Space Launch System (SLS) configuration was simulated with the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics (CFD) code at wind tunnel conditions. Unsteady, time-accurate computations were performed using second-order Delayed Detached Eddy Simulation (DDES) for up to 1.5 physical seconds. The surface pressure time history was collected at 619 locations, 169 of which matched locations on a 2.5 percent wind tunnel model that was tested in the 11 ft. x 11 ft. test section of the NASA Ames Research Center's Unitary Plan Wind Tunnel. Comparisons between computation and experiment showed that the peak surface pressure RMS level occurs behind the forward attach hardware, and good agreement for frequency and power was obtained in this region. Computational domain, grid resolution, and time step sensitivity studies were performed. These included an investigation of pseudo-time sub-iteration convergence. Using these sensitivity studies and experimental data comparisons, a set of best practices to date have been established for FUN3D simulations for SLS launch vehicle analysis. To the author's knowledge, this is the first time DDES has been used in a systematic approach and establish simulation time needed, to analyze unsteady pressure loads on a space launch vehicle such as the NASA SLS.

Alter, Stephen J.↗
NASA NTRS2003

Minimizing Segregation during the Controlled Directional Solidification of Dendric Alloys

Gravity-driven convection induced in the liquid by density gradients of temperature or composition disrupts uniform dendritic growth during controlled directional solidification and promotes severe macrosegregation. The solute-rich region about the dendrite tip appears to play a pivotal role in channel initiation. Allen and Hunt referred to this region as an "initial transient" or dynamic region constituting steep concentration gradients. Experimental investigation also point to the role the tip region plays in developing microstructure. Hellawell and co-workers showed that flow-through dendritic channels could be effectively disrupted, and segregation minimized, during the gradient freezing of bulk castings by rotating the melt through a slight angle with respect to Earth's gravity vector. Adapting this principle to controlled directional solidification, it has been shown" that segregation in dendritic alloys can be minimized, and properties improved, by processing the sample near horizontal in conjunction with a slow axial rotation of the crucible. It is postulated that the observed microstructural uniformity arises by maintaining the developing solute field about the dendrite tip. Solute rejected during vertical directional solidification will rise or sink parallel to the primary dendrite arms during axial rotation setting the stage for accumulation, instabilities, and segregation. In contrast, during horizontal growth, the rejected solute will sink or rise perpendicular to the primary dendrite. Now, in the presence of a slight axial rotation, solute that was initially sinking (or rising) will find itself above (or below) its parent dendrite, i.e., still about the tip region. The following is intended to experimentally demonstrate the viability of this concept in coordination with a model that gives predictive insight regarding solute distribution about growing dendrites. Alloys based on the lead-tin eutectic system were used in this study. The system is well characterized, the constituent metals are available in a very pure form, and the thermophysical properties are well known. During solidification of hypoeutectic alloys, e.g., 55 wt pct Pb, the primary dendrites reject the less dense tin, and for the hypereutectic alloys, e.g., 75 wt pct Sn, the primary dendrites reject denser lead. Alloys were prepared by melting appropriate amounts of lead and tin in a glass crucible after which the homogeneous liquid was sucked directly into 5-mm i.d. glass tubes. The sample tube, containing approximately 30 cm of alloy, was then mechanically driven into the directional solidification furnace assembly and positioned such that approx. 20 cm of the sample was remelted. Subsequently, directional solidification was initiated by withdrawing the sample through a water-cooled jacket at a constant growth velocity of 2 ,microns/s. After 5 to 6 cm of growth, the sample was quickly removed from the furnace and quenched in a water bath to preserve the solid-liquid interface. Samples were directionally solidified vertically upward, nearly horizontally, and some in conjunction with an applied axial rotation of the crucible. Temperature gradients at the solid-liquid interface were measured with an in-siru K-type thermocouple. Solidified samples were cut perpendicular and parallel to the growth direction and conventionally prepared for microscopic examination.

Grugel, Richard N.↗
DOE OSTI2022

Intelligent Process Visualization through Nuclear Operation Process Modeling, Reasoning, and Object Detection from Field Videos (Final Report)

This report is a deliverable for the “Final Report” task of DOE NEET Project 19-16790, "Context-Aware Safety Information Display for Nuclear Field Workers." This project's overall goal is to test the hypothesis that integrating computer vision and process reasoning methods will enable proactive visualization of the safe operation and maintenance processes of Nuclear Power Plants (NPP) for field workers. Augmented Reality (AR) glasses adopting such proactive safety information visualization techniques can significantly increase personnel safety and reduce the NPP’s operating costs. The current practice of monitoring NPPs requires workers to switch between digital models, data, and physical workspaces in identifying relevant but potentially occluded objects and in assessing the risks of operation and maintenance processes. On the other hand, frequently changed field conditions require field workers to report to supervisors for real-time guidance. Such guidance is essential to ensure that changing conditions will not invalidate or endanger the work order and other ongoing processes that may jeopardize NPP operations. Additionally, incorrect recognition of equipment objects can result in communication errors and safety problems. AR techniques can assist engineers in viewing the physical workspaces with objects labeled with detailed operation procedures and safety reminders during field operations. The project team developed an “Intelligent Context-Aware Safety Information Display” (ICAD) for supporting Nuclear Power Plant (NPP) field workers in achieving safe and efficient execution of a series of operational tasks in uncertain and changing workspaces of an NPP. Before designing the ICAD-AR prototype, the project team synthesized NPP operational knowledge models through literature review studies, surveys, interviews with domain experts, and knowledge modeling. The project team conducted an extensive study of the operational procedures of various NPPs, and digital technologies that can support the safe and efficient execution of those procedures in different NPP operational contexts. This literature review helped the project team conduct surveys and interviews with nuclear engineers and field workers to identify three categories of information. The NPP knowledge modeling efforts reveal that the three categories of information identified have different levels of importance in a typical procedure of carrying out a series of tasks to achieve a specific NPP operation goal (e.g., shutdown, mode changes). These three categories of information include 1) Workspace dynamics – the changing spatial arrangements of workspaces, tools, protection equipment, and supporting materials, 2) Workflow prognostics – the dynamic dependencies between different parts of an NPP that functionally support and influence each other in terms of safety and efficiency, and 3) Hazards – objects and spaces that contain hazardous materials or physical conditions that can pose risks to workers or mechanical systems. The project team has profiled the importance levels of these categories of information into a knowledge model. This knowledge model specifies what types of information are more critical for a given task in a given workspace so that computers can automatically identify critical objects and sensors in a scene for delivering context-ware safety information to field workers through AR devices. Significant research development of this project results in technical research outcomes and a prototyping system that illustrates the technical feasibility of establishing an ICAD-AR system supporting the proactive safety information display for nuclear field workers. This final report summarizes the project team’s technological achievements in the past three years. Overall, the project team completed the development and integration of five techniques into a prototype ICAD Augmented Reality (ICAD-AR) system and demonstrated the developed system’s real-time execution in a mechanical room. The project team completed the analysis of using this prototype in other types of workspaces based on 3D image data and digital design models collected from two additional workspaces (a water treatment plant and a flow loop training facility). The integrated techniques include 1) Natural Language Processing (NLP) algorithms supporting the generation and updates of nuclear fieldwork process models based on text analysis of work packages and operation manuals; 2) sensor log analysis for predicting control actions in given sensor reading contexts; 3) computer vision algorithms for automatic localization and navigation of workers; 4) object detection algorithms for identifying task-related objects and correlated sensors for safety checking; 5) AR technique as a platform for supporting the integration. The testing results of these five techniques have shown that 1) the sensor log analysis model can predict the next control action with an accuracy of 0.883; 2) the trained natural language processing model can extract more than 80% of the critical information from paper-based procedures (PBPs); 3) the navigation algorithm with the integration of Visual Inertial Odometry (VIO) and Non-Recursive Bayesian Filter methods make operator’s trajectory estimation resilient to drift error; 4) the computer vision algorithm can detect task-specific and safety-critical objects with an average accuracy of 95.3%. The project team used work procedures collected from a flow loop training facility and two datasets collected from two mechanical rooms simulating the workspaces of NPPs to demonstrate the technical capabilities of the developed ICAD-AR prototype. The demonstration validated the technical feasibility of establishing the ICAD-AR system for nuclear field workers and identified the challenges in 1) automatic text analysis of work packages; 2) use of limited samples of sensor logs for predicting the proper timings of control actions; 3) reliably tracking workers and their task progress in mechanical rooms with many similar objects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Structural insights into acetylated histone ligand recognition by the $\mathrm{BDP1}$ bromodomain of Plasmodium falciparum

Plasmodium falciparum requires a two-host system, moving between Anopheles mosquito and humans, to complete its life cycle. To overcome such dynamic growth conditions its histones undergo various post-translational modifications to regulate gene expression. The P. falciparum Bromodomain Protein 1 (PfBDP1) has been shown to interact with acetylated lysine modifications on histone H3 to regulate the expression of invasion-related genes. Here, we investigated the ability of the PfBDP1 bromodomain to interact with acetyllsyine modifications on additional core and variant histones. A crystal structure of the PfBDP1 bromodomain (PfBDP1-BRD) reveals it contains the conserved bromodomain fold, but our comparative analysis between the PfBDP1-BRD and human bromodomain families indicates it has a unique binding mechanism. Solution NMR spectroscopy and ITC binding assays carried out with acetylated histone ligands demonstrate that it preferentially recognizes tetra-acetylated histone H4, and we detected weaker interactions with multi-acetylated H2A.Z in addition to the previously reported interactions with acetylated histone H3. Our findings indicate PfBDP1 may play additional roles in the P. falciparum life cycle, and the distinctive features of its bromodomain binding pocket could be leveraged for the development of new therapeutic agents to help overcome the continuously evolving resistance of P. falciparum against currently available drugs.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2009

Boundary Layer Transition Protuberance Tests at NASA JSC Arc-Jet Facility

A series of arc-jet tests in support of the Shuttle Orbiter Boundary Layer Transition flight experiment was conducted in the Channel Nozzle of the NASA Johnson Space Center Atmospheric Reentry Materials and Structures Facility. The boundary layer trip was a protrusion of a certain height and geometry fabricated as part of a 6"x6" tile insert, a special test article made of the Boeing Rigid Insulation tile material and coated with the Reaction Cured Glass used for the bottom fuselage tiles of the Space Shuttle Orbiter. A total of five such tile inserts were manufactured: four with the 0.25-in. trip height, and one with the 0.35-in. trip height. The tile inserts were interchangeably installed in the center of the 24"x24" variable configuration tile array mounted in the 24"x24" test section of the channel nozzle. The objectives of the test series were to demonstrate that the boundary layer trip can safely withstand the Space Shuttle Orbiter flight-like re-entry environments and provide temperature data on the protrusion surface, surfaces of the nearby tiles upstream and downstream of the trip, as well as the bond line between the tiles and the structure. The targeted test environments were defined for the tip of the protrusion, away from the nominal surface of the tile array. The arc jet test conditions were approximated in order to produce the levels of the free stream total enthalpy at the protrusion height similar to those expected in flight. The test articles were instrumented with surface, sidewall and bond line thermocouples. Additionally, Tempilaq temperature-indicating paint was applied to the nominal tiles of the tile array in locations not interfering with the protrusion trip. Five different grades of paint were used that disintegrate at different temperatures between 1500 and 2000 deg F. The intent of using the paint was to gauge the RCG-coated tile surface temperature, as well as determine its usefulness for a flight experiment. This paper provides an overview of the channel nozzle arc jet, test articles and test conditions, as well as the results of the arc-jet tests including the measured temperature response of the test articles, their pre- and post-test surface scans, condition of the thermal paint, and continents on the protrusion tip heating achieved in tests compared to the computational fluid dynamics predictions.

Larin, M. E.↗
DOE OSTI2022

Investigating Local Carrier Dynamics in PERC Patterned CdTe Solar Cells

Remarkable progress has been achieved in CdTe photovoltaics (PVs) to further improve cell performance while reducing manufacturing costs. Researchers optimized the front contact that leads the short-circuit current density (J sc ) over 31mA/cm 2 (e.g., (Zn, Mg)O buffer layer and/or alloying CdTe with Se). Reese et al. reported an open-circuit voltage (V oc ) over 1 V with group-V doped single crystal, showing the feasibility of increasing V oc in CdTe PV that is fixed to less than 900 mV in most cases. Recent studies suggested that the V oc improvement in polycrystalline CdTe PVs requires well-passivated back contact. One possible strategy is to use CdMgTe alloy (E g > 1.8 eV), where the band-gap offset (ΔE CB ≈ 0.2 eV) reflects minority carrier electrons, thereby decreasing surface recombination. Another strategy is to utilize a stable Al 2 O 3 layer as an electron reflector; experimental works confirmed the improved performance with a conformal Al 2 O 3 layer. In this configuration, the precise control of Al 2 O 3 (≈1 nm) over the entire CdTe layer is essential because the J sc greatly depends on the tunneling current. While promising, both CdMgTe and Al 2 O 3 passivation on CdTe introduce unfavorable valence band offset that blocks the hole transport. Kephart et al. proposed a patterned passixc vation layer (≈ 20 nm Al 2 O 3 ) with point contacts (≈ 3 μm in diameter) that extract hole carriers. This configuration is similar to the passive emitter and rear contact (PERC) design that has been extensively studied in Si PVs. While remarkably high carrier lifetime and photoluminescence (> 10 X) were measured, consistent improvement in V oc and efficiency in this CdTe PERC were not yet observed. At this time, it is unclear how the surface potential is distributed in the presence of patterned Al 2 O 3 reflectors and how this additional field impacts the PV performance for Cu-doped and group-V doped CdTe PERC devices. To tackle this challenge, we develop robust nanofabrication and characterization platform to study CdTe PERC devices consisting of a patterned Al 2 O 3 layer on CdSe( 1-x )Te x (Cu-doped, GrV-doped; x = 0 to 1; CST). First Solar supplies high-quality CST materials. The dark and light I-Vs under 1-sun illumination are extracted for a series of each set of devices. We perform quantitative and qualitative PV analysis for a series of Cu-doped and Gr-V doped PERC devices, showing notably different V oc changes for GrV-doped compared to Cu-doped PERC devices. This project attempts to produce individual contacts on single grains and grain boundaries to measure lateral transport. As a model system, we use a CdSe( 1-x )Te x film on glass prepared by a colossal grain growth (CGG) technique at National Renewable Research Laboratories (NREL). Our preliminary results confirm that intergranular transport is hindered by the electrical barrier formed near grain boundaries. The PERC fabrication and the lateral transport measurement platform developed in this project can easily be applied to other types of advanced CdSe( 1-x )Te x architectures to better understand local photocarrier transport, in turn, providing the fundamental knowledge to improve the performance of CdTe PVs.

14 SOLAR ENERGY↗
NASA NTRS1999

Dynamics of the Molten Contact Line

The purpose of this program is to develop a basic understanding of how a molten material front spreads over a solid that is below its melting point, arrests, and freezes. Our hope is that the work will contribute toward a scientific knowledge base for certain new applications involving molten droplet deposition, including the "printing" of arbitrary three-dimensional objects by precise deposition of individual molten microdrops that solidify after impact. Little information is available at this time on the capillarity-driven motion and arrest of molten contact line regions. Schiaffino and Sonin investigated the arrest of the contact line of a molten microcrystalline wax spreading over a subcooled solid "target" of the same material. They found that contact line arrest takes place at an apparent liquid contact angle that depends primarily on the Stefan number S=c(T(sub f) -T(sub t)/L based on the temperature difference between the fusion point and the target temperature, and proposed that contact line arrest occurs when the liquid's dynamic contact angle approaches the angle of attack of the solidification front just behind the contact line. They also showed, however, that the conventional continuum equations and boundary conditions have no meaningful solution for this angle. The solidification front angle is determined by the heat flux just behind the contact line, and the heat flux is singular at that point. By comparing experiments with numerical computations, Schiaffino and Sonin estimated that the conventional solidification model must break down within a distance of order 0.1 - 1 microns of the contact line. The physical mechanism for this breakdown is as yet undetermined, and no first-principles theory exists for the contact angle at arrest. Schiaffino and Sonin also presented a framework for understanding how to moderate Weber number molten droplet deposition in terms of similarity laws and experimentation. The study is based on experiments with three molten materials- molten wax on solid wax, water on ice, and mercury on frozen mercury- which between them span a considerable range of the deposition/solidification similarity parameters. Correlations are obtained for the spreading velocity, spreading time scales, the spreading factor (i.e. ratio of deposited drop's final footprint radius and the drop's initial radius), post-spreading liquid oscillation amplitudes and time scales, and bulk solidification time scales. Duthaler carried out an experimental and theoretical investigation of the relationship between the liquid's apparent contact angle and the Capillary number Ca=mu U/sigma based on contact line speed, for molten materials spreading over subcooled solids. This relationship is required for modeling of melt spreading. We have adapted Voinov's methodology to the molten contact line and formulated a theoretical model for the Ca vs. contact angle relationship, based Schiaffino and Sonin#s (1997a,b) wedge-like solidification front model. With the solidification front angle taken from Schiaffino and Sonin, the model is in good agreement with the experimental results for Ca vs. contact angle. Duthaler also extended the experimental investigation of droplet deposition and contact line freezing to more materials, including solder on glass, solder on solder, water on ice, and molten microcrystalline wax on wax. The latter also included tests on inclined targets. Deposition tests have also been done with molten octacosane (C28H58) on various targets. An important objective of our program has been the development of micron-scale sensors for measuring the transient temperature at a point on the substrate surface as a molten contact line moves over it. The expectation is that this temperature history will yield a better understanding of the thermal process in the contact line region. The sensors are of the thermistor type, either 2.5 microns or 1.5 microns square, microfabricated with silicon-based technology on either pure silicon or amorphous silicon dioxide chips. Each chip has 32 sensors distributed on its surface in arrays. The time response is better than 10 ms. At the time of writing, sensor calibration is in progress. Results on thermal transients during contact line passage will be discussed at the conference. While we expect that the data will provide information on the near-contact-line heat transfer process, we also foresee possible problems. First, the spatial resolution of the sensors may be insufficient to resolve the near-contact-line region. Second, the sensors protrude about 0.5 microns above the substrate surface, and may affect the contact line motion. Third, a sensor's temperature history depends on both the heat flux distribution into it from the fusion front and the thermal properties of the substrate below it and the solidified melt between it and the fusion front. The heat flux distribution in the contact line region must therefore be unfolded from computations of the overall system's transient thermal response.

Sonin, Ain A.↗
NASA NTRS2017

Computational Simulations of the NASA Langley HyMETS Arc-Jet Facility

The Hypersonic Materials Environmental Test System (HyMETS) arc-jet facility located at the NASA Langley Research Center in Hampton, Virginia, is primarily used for the research, development, and evaluation of high-temperature thermal protection systems for hypersonic vehicles and reentry systems. In order to improve testing capabilities and knowledge of the test article environment, an effort is underway to computationally simulate the flow-field using computational fluid dynamics (CFD). A detailed three-dimensional model of the arc-jet nozzle and free-jet portion of the flow-field has been developed and compared to calibration probe Pitot pressure and stagnation-point heat flux for three test conditions at low, medium, and high enthalpy. The CFD model takes into account uniform pressure and non-uniform enthalpy profiles at the nozzle inlet as well as catalytic recombination efficiency effects at the probe surface. Comparing the CFD results and test data indicates an effectively fully-catalytic copper surface on the heat flux probe of about 10% efficiency and a 2-3 kpa pressure drop from the arc heater bore, where the pressure is measured, to the plenum section, prior to the nozzle. With these assumptions, the CFD results are well within the uncertainty of the stagnation pressure and heat flux measurements. The conditions at the nozzle exit were also compared with radial and axial velocimetry. This simulation capability will be used to evaluate various three-dimensional models that are tested in the HyMETS facility. An end-to-end aerothermal and thermal simulation of HyMETS test articles will follow this work to provide a better understanding of the test environment, test results, and to aid in test planning. Additional flow-field diagnostic measurements will also be considered to improve the modeling capability.

Brune, A. J.↗
NASA NTRS2000

Numerical Study of Rarefied Hypersonic Flow Interacting with a Continuum Jet

An uncoupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC) technique is developed and applied to provide solutions for continuum jets interacting with rarefied external flows. The technique is based on a correlation of the appropriate Bird breakdown parameter for a transitional-rarefied condition that defines a surface within which the continuum solution is unaffected by the external flow-jet interaction. The method is applied to two problems to assess and demonstrate its validity; one of a jet interaction in the transitional-rarefied flow regime and the other in the moderately rarefied regime. Results show that the appropriate Bird breakdown surface for uncoupling the continuum and non-continuum solutions is a function of a non-dimensional parameter relating the momentum flux and collisionality between the two interacting flows. The correlation is exploited for the simulation of a jet interaction modeled for an experimental condition in the transitional-rarefied flow regime and the validity of the correlation is demonstrated. The uncoupled technique is also applied to an aerobraking flight condition for the Mars Global Surveyor spacecraft with attitude control system jet interaction. Aerodynamic yawing moment coefficients for cases without and with jet interaction at various angles-of-attack were predicted, and results from the present method compare well with values published previously. The flow field and surface properties are analyzed in some detail to describe the mechanism by which the jet interaction affects the aerodynamics.

Glass, Christopher E.↗
DOE OSTI2021

Empty perovskites as Coulomb floppy networks: Entropic elasticity and negative thermal expansion

Floppy networks (FNs) provide valuable insight into the origin of anomalous mechanical and thermal properties in soft matter systems, from polymers, rubber, and biomolecules to glasses and granular materials. Here, we use the same FN concept to construct a quantitative microscopic theory of empty perovskites, a family of crystals with ReO 3 structure, which exhibit a number of unusual properties. One remarkable example is ScF 3 , which shows a near-zero-temperature structural instability and large negative thermal expansion (NTE). Furthermore, we trace these effects to an FN-like crystalline architecture formed by strong nearest-neighbor bonds, which is stabilized by net electrostatic repulsion that plays a role similar to osmotic pressure in polymeric gels. NTE in these crystalline solids, which we conceptualize as Coulomb floppy networks, emerges from the tension effect of Coulomb repulsion combined with the FN's entropic elasticity and has the same physical origin as in gels and rubber. Our theory provides an accurate, quantitative description of phonons, thermal expansion, compressibility, and structural phase diagram, all in excellent agreement with experiments. The entropic stabilization of critical soft modes, which play only a secondary role in NTE, explains the observed phase diagram. Significant entropic elasticity resolves the puzzle of a marked, ≈50% discrepancy between the experimentally observed bulk modulus and ab initio calculations. The Coulomb FN approach is potentially applicable to other important materials with markedly covalent bonds, from perovskite oxides to iron chalcogenides, whose anomalous vibrational and structural properties are still poorly understood.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗