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At least 703 records · Page 39

Newton-Euler Dynamic Equations of Motion for a Multi-body Spacecraft

The Magnetospheric MultiScale (MMS) mission employs a formation of spinning spacecraft with several flexible appendages and thruster-based control. To understand the complex dynamic interaction of thruster actuation, appendage motion, and spin dynamics, each spacecraft is modeled as a tree of rigid bodies connected by spherical or gimballed joints. The method presented facilitates assembling by inspection the exact, nonlinear dynamic equations of motion for a multibody spacecraft suitable for solution by numerical integration. The building block equations are derived by applying Newton's and Euler's equations of motion to an "element" consisting of two bodies and one joint (spherical and gimballed joints are considered separately). Patterns in the "mass" and L'force" matrices guide assembly by inspection of a general N-body tree-topology system. Straightforward linear algebra operations are employed to eliminate extraneous constraint equations, resulting in a minimum-dimension system of equations to solve. This method thus combines a straightforward, easily-extendable, easily-mechanized formulation with an efficient computer implementation.

Stoneking, Eric↗

High Pressure Water Stripping Using Multi-Orifice Nozzles

The use of multi-orifice rotary nozzles greatly increases the speed and stripping effectiveness of high pressure water blasting systems, but also greatly increases the complexity of selecting and optimizing the operating parameters. The rotational speed of the nozzle must be coupled with its transverse velocity as it passes across the surface of the substrate being stripped. The radial and angular positions of each orifice must be included in the analysis of the nozzle configuration. Orifices at the outer edge of the nozzle head move at a faster rate than the orifices located near the center. The energy transmitted to the surface from the impact force of the water stream from an outer orifice is therefore spread over a larger area than energy from an inner orifice. Utilizing a larger diameter orifice in the outer radial positions increases the total energy transmitted from the outer orifice to compensate for the wider distribution of energy. The total flow rate from the combination of all orifices must be monitored and should be kept below the pump capacity while choosing orifice to insert in each position. The energy distribution from the orifice pattern is further complicated since the rotary path of all the orifices in the nozzle head pass through the center section. All orifices contribute to the stripping in the center of the path while only the outer most orifice contributes to the stripping at the edge of the nozzle. Additional orifices contribute to the stripping from the outer edge toward the center section. With all these parameters to configure and each parameter change affecting the others, a computer model was developed to track and coordinate these parameters. The computer simulation graphically indicates the cumulative affect from each parameter selected. The result from the proper choices in parameters is a well designed, highly efficient stripping system. A poorly chosen set of parameters will cause the nozzle to strip aggressively in some areas while leaving the coating untouched in adjacent sections. The high pressure water stripping system can be set to extremely aggressive conditions allowing stripping of hard to remove adhesives, paint systems, and even cladding and chromate conversion coatings. The energy force can also be reduced to strip coatings from thin aluminum substrates without causing any damage or deterioration to the substrate's surface. High pressure water stripping of aerospace components has thus proven to be an efficient and cost effective method for cleaning and removing coatings.

Hoppe, David↗

Effects of digital fringe projection operational parameters on detecting powder bed defects in additive manufacturing

Additive manufacturing is a technology transforming traditional production timelines. Specifically, metal additive manufacturing (MAM) has been increasingly adopted by a variety of industries, not only to prototype, but also to fulfill full production scale applications with much lower lead times. Like any maturing manufacturing technology, developments in verifying and validating processes are necessary to support continuous growth. Due to the complex nature of MAM, part quality and repeatability remain integral challenges that inhibit further adoption of MAM for critical component production. In this study, we present data taken from a developing in-process monitoring system designed to measure and detect powder bed defects (PBDs) in powder bed fusion MAM systems using surface height maps created with structured light illumination. We showcase the feasibility of the monitoring technique for in-process implementation by detecting streak PBDs with varying severities (height, width) created in a lab environment. We present results of powder bed measurements for varying experimental parameters of the structured light system such as illumination angle, illumination pattern, and number of illuminations. We also present an expression used to determine experimental height noise based on input parameters for PBD detection based on the instrument transfer function of the structured light monitoring system for arbitrary pixel intensity noise contributions. In conclusion, with the results of PBD detection across multiple experimental measurement parameters, we provide a best practices approach to in-process implementation of the monitoring system in powder bed fusion manufacturing.

36 MATERIALS SCIENCE↗

Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments

We introduce a computational framework that integrates artificial intelligence (AI), machine learning, and high-performance computing to enable real-time steering of neutron scattering experiments using an edge-to-exascale workflow. Focusing on time-of-flight neutron event data at the Spallation Neutron Source, our approach combines temporal processing of four-dimensional neutron event data with predictive modeling for multidimensional crystallography. At the core of this workflow is the Temporal Fusion Transformer model, which provides voxel-level precision in predicting 3D neutron scattering patterns. The system incorporates edge computing for rapid data preprocessing and exascale computing via the Frontier supercomputer for large-scale AI model training, enabling adaptive, data-driven decisions during experiments. This framework optimizes neutron beam time, improves experimental accuracy, and lays the foundation for automation in neutron scattering. Although real-time experiment steering is still in the proof-of-concept stage, the demonstrated potential of this system offers a substantial reduction in data processing time from hours to minutes via distributed training, and significant improvements in model accuracy, setting the stage for widespread adoption across neutron scattering facilities and more efficient exploration of complex material systems.

97 MATHEMATICS AND COMPUTING↗

Metabolic dependencies govern microbial syntrophies during methanogenesis in an anaerobic digestion ecosystem

Methanogenesis, a biological process mediated by complex microbial communities, has attracted great attention due to its contribution to global warming and potential in biotechnological applications. The current study unveiled the core microbial methanogenic metabolisms in anaerobic vessel ecosystems by applying combined genome-centric metagenomics and metatranscriptomics. Here, we demonstrate that an enriched natural system, fueled only with acetate, could support a bacteria-dominated microbiota employing a multi-trophic methanogenic process. Moreover, significant changes, in terms of microbial structure and function, were recorded after the system was supplemented with additional H 2 . Methanosarcina thermophila, the predominant methanogen prior to H 2 addition, simultaneously performed acetoclastic, hydrogenotrophic, and methylotrophic methanogenesis. The methanogenic pattern changed after the addition of H 2 , which immediately stimulated Methanomicrobia-activity and was followed by a slow enrichment of Methanobacteria members. Interestingly, the essential genes involved in the Wood-Ljungdahl pathway were not expressed in bacterial members. The high expression of a glycine cleavage system indicated the activation of alternative metabolic pathways for acetate metabolism, which were reconstructed in the most abundant bacterial genomes. Moreover, as evidenced by predicted auxotrophies, we propose that specific microbes of the community were forming symbiotic relationships, thus reducing the biosynthetic burden of individual members. These results provide new information that will facilitate future microbial ecology studies of interspecies competition and symbiosis in methanogenic niches.

59 BASIC BIOLOGICAL SCIENCES↗

Cosmic Complexity

What explains the extraordinary complexity of the observed universe, on all scales from quarks to the accelerating universe? My favorite explanation (which I certainty did not invent) ls that the fundamental laws of physics produce natural instability, energy flows, and chaos. Some call the result the Life Force, some note that the Earth is a living system itself (Gaia, a "tough bitch" according to Margulis), and some conclude that the observed complexity requires a supernatural explanation (of which we have many). But my dad was a statistician (of dairy cows) and he told me about cells and genes and evolution and chance when I was very small. So a scientist must look for me explanation of how nature's laws and statistics brought us into conscious existence. And how is that seemll"!gly Improbable events are actually happening a!1 the time? Well, the physicists have countless examples of natural instability, in which energy is released to power change from simplicity to complexity. One of the most common to see is that cooling water vapor below the freezing point produces snowflakes, no two alike, and all complex and beautiful. We see it often so we are not amazed. But physlc!sts have observed so many kinds of these changes from one structure to another (we call them phase transitions) that the Nobel Prize in 1992 could be awarded for understanding the mathematics of their common features. Now for a few examples of how the laws of nature produce the instabilities that lead to our own existence. First, the Big Bang (what an insufficient name!) apparently came from an instability, in which the "false vacuum" eventually decayed into the ordinary vacuum we have today, plus the most fundamental particles we know, the quarks and leptons. So the universe as a whole started with an instability. Then, a great expansion and cooling happened, and the loose quarks, finding themselves unstable too, bound themselves together into today's less elementary particles like protons and neutrons, liberating a little energy and creating complexity. Then, the expanding universe cooled some more, and neutrons and protons, no longer kept apart by immense temperatures, found themselves unstable and formed helium nuclei. Then, a little more cooling, and atomic nuclei and electrons were no longer kept apart, and the universe became transparent. Then a little more cooling, and the next instability began: gravitation pulled matter together across cosmic distances to form stars and galaxies. This instability is described as a "negative heat capadty" in which extracting energy from a gravitating system makes it hotter -- clearly the 2nd law of thermodynamics does not apply here! (This is the physicist's part of the answer to e e cummings' question: what is the wonder that's keeping the stars apart?) Then, the next instability is that hydrogen and helium nuclei can fuse together to release energy and make stars burn for billions of years. And then at the end of the fuel source, stars become unstable and explode and liberate the chemical elements back into space. And because of that, on planets like Earth, sustained energy flows support the development of additional instabilities and all kinds of complex patterns. Gravitational instability pulls the densest materials into the core of the Earth, leaving a thin skin of water and air, and makes the interior churn incessantly as heat flows outwards. And the heat from the sun, received mostly near the equator and flowing towards the poles, supports the complex atmospheric and oceanic circulations. And because or that, the physical Earth is full of natural chemical laboratories, concentrating elements here, mixing them there, raising and lowering temperatures, ceaselessly experimenting with uncountable events where new instabilities can arise. At least one of them was the new experiment called life. Now that we know that there are at least as many planets as there are stars, it is hard to imagine that nature's ceasess experimentation would not be able to produce life elsewhere -- but we don't know for sure. And life went on to cause new Instabilities, constantly evolving, with living things in an extraordinary range of environments, changing the global environment, with boom-and-bust cycles. with predators for every kInd of prey, with criminals for every possible crime, with governments to prevent them, and instabilities of the governments themselves. One of the instabilities Is that humans demand new weapons and new products of all sort, leading to serious investments in science and technology. So the natural/human world of competition and combat is structured to lead to advanced weaponry and cell phones. So here we are In 2012, with people writing essays and wondering whether their descendents will be artificial life forms travelling back into space. And, pondering what are the origins of those forces of nature that give rise to everything. Verllnde has argued that gravitation, the one force that has so far resisted our efforts at a Quantum description, is not even a fundamental force, but is itself it a statistical force, like osmosis. What an amazing turn of events! But after all I've just said, I should not be surprised a bit.

Mather, John C.↗

Review: The distribution, flow, and quality of Grand Canyon Springs, Arizona (USA)

An understanding of the hydrogeology of Grand Canyon National Park (GRCA) in northern Arizona, USA, is critical for future resource protection. The ~750 springs in GRCA provide both perennial and seasonal flow to numerous desert streams, drinking water to wildlife and visitors in an otherwise arid environment, and habitat for rare, endemic and threatened species. Spring behavior and flow patterns represent local and regional patterns in aquifer recharge, reflect the geologic structure and stratigraphy, and are indicators of the overall biotic health of the canyon. These springs, however, are subject to pressures from water supply development, changes in recharge from forest fires and other land management activities, and potential contamination. Roaring Springs is the sole water supply for residents and visitors (>6 million/year), and all springs support valuable riparian habitats with very high species diversity. Most springs flow from the karstic Redwall-Muav aquifer and show seasonal patterns in flow and water chemistry indicative of variable aquifer porosities, including conduit flow. They have Ca/Mg-HCO{sub 3} dominated chemistry and trace elements consistent with nearby deep wells drilled into the Redwall-Muav aquifer. Tracer techniques and water-age dating indicate a wide range of residence times for many springs, supporting the concept of multiple porosities. A perched aquifer produces small springs which issue from the contacts between sandstone and shale units, with variable groundwater residence times. Stable isotope data suggest both an elevational and seasonal difference in recharge between North and South Rim springs. This review highlights the complex nature of the groundwater system.

54 ENVIRONMENTAL SCIENCES↗

Landscape-scale characterization of Arctic tundra vegetation composition, structure, and function with a multi-sensor unoccupied aerial system

The Arctic is experiencing some of the most rapid climate change on Earth, with strong impacts on tundra ecosystems that are characterized by high land-surface and vegetation heterogeneity. Previous studies have explored this complexity using satellite remote sensing, however these typically coarse spatial resolution data have generally missed sub-pixel heterogeneity, leaving critical gaps in our understanding of tundra vegetation dynamics from the community to landscape scales. To address these gaps, we collected very high-resolution (1-5 cm) optical, structural, and thermal data at three low-Arctic tundra sites on the Seward Peninsula, Alaska, using a multi-sensor unoccupied aerial system (UAS). We examined the application of these data to studying tundra vegetation dynamics, by quantifying (1) canopy height and thermoregulation (leaf-air temperature) of representative plant functional types (PFTs), (2) fine-scale patterns of vegetation composition across landscapes, and (3) impacts of fine-scale vegetation composition on landscape-scale variation of canopy height and thermoregulation. Our results show that deciduous tall shrubs (those that can potentially grow >2 m) had a strong cooling effect, with canopy temperatures significantly lower than local air temperatures and other PFTs. Increased cover of tall shrubs also had the potential to reduce the cover of low-stature PFTs across the landscape, potentially associated with their closed canopy (i.e., increased light competition) and strong thermoregulation. To understand the connections between fine-scale vegetation composition and large-scale ecosystem processes, we produced a random forest model which showed that fine-scale PFT composition accounted for 86.8% and 74.2% of the landscape-scale variation in canopy height and thermoregulation, respectively. These findings highlight the importance of spatially detailed characterization of tundra PFTs to improve our ecological understanding and model representation of tundra vegetation, also transcend our study to show the need for continued collection of similar datasets to better understand the impacts of surface heterogeneity on the mapping and modeling of tundra ecosystem dynamics, as well as assist with conservation management and biodiversity monitoring strategies.

54 ENVIRONMENTAL SCIENCES↗

Controlling Factors Analyses of Sediment Dispersal From Source-to-Sink Systems of Lacustrine Rift Basin: A Case Study From Paleogene Shahejie-Dongying Formations of Nanpu Sag, Eastern China

Tectonic activity not only shapes the basic stratigraphic framework of rift basins, but also profoundly affects the sediment dispersal in rift basins. In this study, analyses of heavy mineral assemblages in different periods demonstrate that there are three obvious tectono-sedimentary evolutionary stages (E s 3 –E s 2 , E s 1 –E d 2 , and E d 1 , respectively) in the Paleogene provenance area of Nanpu Sag, and the volume of sand bodies increases from the bottom of the Paleogene Shahejie (E s ) Formation to the top of the Dongying (E d ) Formation in Nanpu Sag. Besides, this study comprehensively utilize the analyses of seismic interpretation, palynology, heavy mineral, and borehole core samples to investigate the controlling factors of sediment dispersal in the rift basin. The assemblages of heavy minerals in different periods reflect the rock composition and catchment area of different provenance areas, and their vertical differences reflect the evolution process of the provenance area and reflect the uplift-denudation process of the provenance area. The results reveal that the synergy of the evolution of tectonic activity and the adjustment of topographical evolution are the main controlling factors of sediment dispersal in Nanpu Sag, while climate change is not the main controlling factor. We conclude that an increased sediment supply rate in the long term reflects the control of tectonic activity on basin topography, rather than climate fluctuations. The differences in morphological modification result in differential sediment dispersal, which is principally related to the differential extrusion of the fault system. The catchment area and provenance distance adjustment is evidenced by the vertical changes of heavy mineral characteristics of single-well and interaction and linkage of boundary faults, and the adjustment of topography evolution. A consideration is that the interaction and linkage of boundary faults and complex subsidence history are multi-directional, and differential evolution of provenance area is universal in lacustrine rift basins, all of this highlights the adjustment of sediment pathways generated by this characteristic of rift basins and emphasizes the importance of controlling factors analyses in understanding differential sediment dispersal that presents in the rift basins. Besides, four sets of sediment dispersal patterns were delineated based on different developmental regions in the rift basin, which are fault segmental point and multi-stage fault terrace, single-stage fault terrace and axial fault valley, axial fault terrace, and paleo-terrace and axial fault valley, respectively. This study has a certain guiding significance for the prediction of the spatial distribution of sand bodies in the rift basin and the exploration of potential oil and gas targets in the rift basin.

Yu, Jifeng↗

Classification of Intensity Distributions of Transmission Eigenchannels of Disordered Nanophotonic Structures Using Machine Learning

Light-matter interaction optimization in complex nanophotonic structures is a critical step towards the tailored performance of photonic devices. The increasing complexity of such systems requires new optimization strategies beyond intuitive methods. For example, in disordered photonic structures, the spatial distribution of energy densities has large random fluctuations due to the interference of multiply scattered electromagnetic waves, even though the statistically averaged spatial profiles of the transmission eigenchannels are universal. Classification of these eigenchannels for a single configuration based on visualization of intensity distributions is difficult. However, successful classification could provide vital information about disordered nanophotonic structures. Emerging methods in machine learning have enabled new investigations into optimized photonic structures. In this work, we combine intensity distributions of the transmission eigenchannels and the transmitted speckle-like intensity patterns to classify the eigenchannels of a single configuration of disordered photonic structures using machine learning techniques. Specifically, we leverage supervised learning methods, such as decision trees and fully connected neural networks, to achieve classification of these transmission eigenchannels based on their intensity distributions with an accuracy greater than 99%, even with a dataset including photonic devices of various disorder strengths. Simultaneous classification of the transmission eigenchannels and the relative disorder strength of the nanophotonic structure is also possible. Our results open new directions for machine learning assisted speckle-based metrology and demonstrate a novel approach to classifying nanophotonic structures based on their electromagnetic field distributions. These insights can be of paramount importance for optimizing light-matter interactions at the nanoscale.

79 ASTRONOMY AND ASTROPHYSICS↗

Martian canyons and African rifts - Structural comparisons and implications

The resistant parts of the canyon walls of the Martian rift complex Valles Marineris have been used to infer an earlier, less eroded reconstruction of the major troughs. The individual canyons are compared with individual rifts of East Africa. When measured in units of planetary radius, Martian canyons show a distribution of lengths nearly identical to those in Africa, both for individual rifts and for compound rift systems. A common mechanism which scales with planetary radius is suggested. Martian canyons are significantly wider than African rifts. This is consistent with the longstanding idea that rift width is related to crustal thickness: most evidence favors a crust on Mars at least 50% thicker than that of Africa. The overall patterns of the rift systems of Africa and Mars are quite different in that the African systems are composed of numerous small faults with highly variable trend. On Mars the trends are less variable; individual scraps are straighter for longer than on earth. The basement and lithosphere of Mars are inferred to be simple, reflecting a relatively inactive tectonic history prior to the formation of the canyonlands.

Frey, H.↗

Supporting Crew Autonomy in Deep Space Exploration: Preliminary Onboard Capability Requirements and Proposed Research Questions. Technical Report of the Autonomous Crew Operations Technical Interchange Meeting

Communication delays are a critical challenge posed by long duration deep space exploration. Space missions historically have relied on an ever-present Mission Control Center (MCC) to direct operations in near real-time. As unanticipated anomalies that defeat fault detection and resolution systems do arise, the lack of real-time communication will significantly weaken what the MCC support represents: a reliable safety net for the flight crew through its deep and diverse areas of expertise and investigative resources. As a consequence, future space vehicles and habitats need to be equipped with capabilities to support the flight crew to operate with little or no ground support. Considerations must be given to vehicle and mission designs that will fortify the traditionally ground-centered safety net and forge new support systems, when communication delays exist. In August 2018, NASA’s Human Research Program, through its Human Factors and Behavioral Performance Element, convened a Technical Interchange Meeting (TIM) on Autonomous Crew Operations at NASA Ames Research Center. The goal of the meeting was to gather input from NASA centers, industry, academia, and branches of the Department of Defense (DoD) to address how intelligent technologies can be applied to augment onboard capabilities to support crew anomaly response. The TIM featured 24 presentations by 29 speakers and hosted a total of 59 attendees, including 43 from 5 NASA centers (Ames, Johnson, Langley, Marshall, and Jet Propulsion Lab) and 4 from the DoD (3 from Army Research Lab and 1 from Naval Postgraduate School), with remaining attendees from academia (e.g., UC Davis, CMU) and industry (e.g., IBM, Siemens). Discussions were centered around three themes: standards and guidelines, lessons learned in analog environments, and technologies. To help provide a framework for discussion, a concept matrix describing anomaly response processes was created prior to the TIM (Figure 1, page 6). The matrix captures the steps involved (monitoring and detection, diagnosis, solution development and evaluation, solution implementation and verification, resolution documentation) as well as the resources and capabilities required to support these steps (data, knowledge, analysis, synthesis, resource management). A wallpaper size printout of the matrix was utilized at the TIM to solicit attendee inputs along the three themes; the activity garnered 108 submissions of ideas. Overall, what emerged from TIM discussions was a picture of mismatch between crew anomaly response needs and support that can be provided by existing intelligent technologies. The needs are broad, spanning multiple steps and processes/resources, with many of which lacking support from existing technologies, such as knowledge management throughout the steps of problem solving (especially in resolution documentation) and manpower management. The solutions provided by existing intelligent technologies are specific to the steps/processes that they are designed to support and constrained to solving only problems similar to those that have occurred before. What is lacking from technologies is typically made up by humans, specifically their complex critical thinking, creative problem solving, and domain expertise. In the end, the TIM highlighted the pressing need to support responses to onboard anomalies during autonomous crew operations, particularly those that have eluded the system tests, inspection, and other assurance processes. Such anomalies can potentially threaten crew and vehicle safety, as well as significantly impact overall operations with additional workload. These fairly rare events are difficult to anticipate and prepare for, given the state-of-the-art in intelligent technologies. This is true even for anomalies that stem from “unknown knowns”—cases in which there is sufficient external information to characterize the problem but the overall pattern fails to be recognized by the problem solver, or in which the internal knowledge needed to solve a problem is held tacitly and potentially accessible by the problem solver but not articulated. It follows that the ability to tackle anomalies lies not only with the availability of relevant information and knowledge but also their accessibility in times of need. To that end, we propose research questions along the following three broad themes: • How intelligent technologies can help make relevant knowledge and information available? • How intelligent technologies can help make relevant knowledge and information accessible? • How intelligent technologies can help support the crew operating as a team in anomaly response processes?

autonomous crew operations↗

The interactive role of subsynoptic scale jet sreak and planetary boundary layer adjustments in organizing an apparently isolated convective complex

A mesoscale atmospheric simulation system is described that is being developed in order to improve the simulation of subsynoptic and mesoscale adjustments associated with cyclogenesis, severe storm development, and significant atmospheric transport processes. Present emphasis in model development is in the parameterization of physical processes, time-dependent boundary conditions, sophisticated initialization and analysis procedures, nested grid solutions, and applications software development. Basic characteristics of the system as of March 1982 are listed. In a case study, the Grand Island tornado outbreak of 3 June 1980 is considered in substantial detail. Results of simulations with a mesoscale atmospheric simulation system indicate that over the high plains subtle interactions between existing jet streaks and deep well mixed boundary layers can lead to well organized patterns of mesoscale divergence and pressure falls. The amplitude and positioning of these mesoscale features is a function of the subtle nonlinear interaction between the pre-existing jet-streak and deep well mixed boundary layers. Model results for the case study indicate that the model has the potential for forecasting the precursor mesoscale convective environment.

Kaplan, M. L.↗

Unraveling capacity fading in lithium-ion batteries using advanced cyclic tests: A real-world approach

Battery lifespan estimation is essential for effective battery management systems, aiding users and manufacturers in strategic planning. However, accurately estimating battery capacity is complex, owing to diverse capacity fading phenomena tied to factors such as temperature, charge-discharge rate, and rest period duration. In this work, we present an innovative approach that integrates real-world driving behaviors into cyclic testing. Unlike conventional methods that lack rest periods and involve fixed charge-discharge rates, our approach involves 1000 unique test cycles tailored to specific objectives and applications, capturing the nuanced effects of temperature, charge-discharge rate, and rest duration on capacity fading. This yields comprehensive insights into cell-level battery degradation, unveiling growth patterns of the solid electrolyte interface (SEI) layer and lithium plating, influenced by cyclic test parameters. Here, the results yield critical empirical relations for evaluating capacity fading under specific testing conditions.

25 ENERGY STORAGE↗

Advanced FIB-based Preparation of Cryogenically-prepared Specimens for APT Analysis

The utilization of the focused ion beam scanning electron microscope (FIB-SEM) has aided the application of Atom Probe Tomography (APT) to a continually-growing variety of materials, including soft biological materials. However, the regular application of APT to hydrated interfaces such as those found in biological and environmental materials is lacking in large part due to difficulties in specimen preparation under high and ultra-high vacuum conditions. Although a FIB-SEM based cryogenic specimen preparation approach offers a rational route to the preparation of such specimens for APT analysis, many practical aspects such as welding and limitations in the cryo stage manipulation makes it challenging for routine liftout of site-targeted specimens. In this work, we describe our recent efforts in the development of a site-specific liftout and attachment scheme for cryogenically cooled specimens involving a combination of redeposition and overcoating of organic and organometallic molecules, as shown in Fig. 1a-d for a cryogenically-frozen corroded glass sample containing a hydrated porous gel surface layer. Application of an annular milling pattern to the frozen specimens leads to a needle-shaped morphology necessary for APT analysis with the targeted water-ice filled porous corroded silicate glass region of interest near the apex. Using a custom shuttle device and environmental transfer hub at PNNL to facilitate environmentally-protected specimen transfer, APT analysis was applied to directly map, for the first time, a water/solid interface in 3D to reveal the complex nanoscale water-filled porous network of corroded glass. Application of this unique specimen preparation approach to biological specimens will also be discussed, as well as the application of a unique cryo nanomaniupulator with integrated gas injection system to enable controlled FIB-based welding under cryogenic temperatures.

59 BASIC BIOLOGICAL SCIENCES↗

J -Resolved Molecular Fingerprinting by Parahydrogen Hyperpolarized Low-Field NMR

A J-resolved spectroscopy that depends on homonuclear scalar coupling in the strong-coupling regime and heteronuclear coupling in the weak regime expands complex peak patterns to a second axis. Hyperpolarization by Signal Amplification by Reversible Exchange (SABRE) enables the spectroscopy at a low magnetic field of 0.82 mT. Overlapping peaks of molecules such as 3-fluoropyridine and 3,5-difluoropyridine are resolved. Density matrix simulations of the 1 H and 19 F spins indicate a strong dependence on the signs and values of the J-coupling constants, including the homonuclear couplings that are not directly observable. The best matching peak positions and intensities predict coupling constants, including couplings between chemically equivalent nuclear spins, ranging in magnitude from 0.4 to 9.0 Hz for the two molecules. Simulations of other spin systems show unique patterns for molecules containing 1 H and 19 F or 13 C. The dependence of the J-resolved peak patterns on all coupling constants in a spin system presents a new modality for portable and inexpensive identification of molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multiorder etalon sounder (MOES) development and test for balloon experiment

The Fabry-Perot interferometer (FPI), with its high throughput and high spectral resolution has been used in the remote-sensing measurements of the earth's atmospheric composition, winds, and temperatures. The most recent satellite instruments include the Fabry-Perot interferometer flown on the Dynamics Explorer-2 (DE-2), the High Resolution Doppler Imager (HRDI), and the Cryogenic Limb Array Etalon Spectrometer (CLAES) flown on the Upper Atmosphere Research Satellite (UARS). These instruments measure the Doppler line profiles of the emission and absorption of certain atmospheric species (such as atomic oxygen) in the visible and infrared spectral region. The successful space flight of DE-FPI, HRDI, and CLAES on UARS demonstrated the extremely high spectral resolution and ruggedness of the etalon system for the remote sensing of earth and planetary atmospheres. Recently, an innovative FPI focal plane detection technique called the Circle-to-Line Interferometer Optical (CLIO) system was invented at the Space Physics Research Laboratory. The CLIO simplifies the FPI focal plane detection process by converting the circular rings or fringes into a linear pattern similar to that produced by a conventional spectrometer, while retaining the throughput advantage of the etalon interferometer. The combination of FPI and CLIO allows the development of more sensitive Fabry-Perot interferometers in the infrared for the remote sensing of the lower atmospheres of Earth and possibly other planets. The Multiorder Etalon Sounder (MOES), a combination of the rugged etalon and the CLIO, compares very favorably to other space-borne optical instruments in terms of performance versus complexity. The new instrument is expected to be rugged, compact, and very suitable for an operational temperature and moisture sounder. With this technique, the contamination of radiance measurements by emissions of other gases is also minimized. At the Space Physics Research Laboratory (SPRL), the MOES concept and laboratory experiments were worked on for the past several years. Both theoretical studies and laboratory prototype experiments showed that MOES is very competitive compared with other high resolution sounders in terms of complexity and performance and has great potential as a compact and rugged high resolution atmospheric temperature and trace species sounder from the polar platform or the geostationary platform. The logical next step is to convert our laboratory prototype to a balloon instrument, so that field test of MOES can be carried out to prove the feasibility and capability of this new technology. Some of the activities related to the development of MOES for a possible balloon flight demonstration are described. Those research activities include the imaging quality study on the CLIO, the design and construction of a MOES laboratory prototype, the test and calibration of the MOES prototype, and the design of the balloon flight gondola.

Hays, Paul B.↗

Computations of drop collision and coalescence

Computations of drops collision and coalescence are presented. The computations are made possible by a recently developed finite difference/front tracking technique that allows direct solutions of the Navier-Stokes equations for a multi-fluid system with complex, unsteady internal boundaries. This method has been used to examine the boundaries between the various collision modes for drops of equal size and two examples, one of a 'reflective' collision and another of a 'grazing' collision is shown. From drops of unequal size, coalescence can result in considerable mixing between the fluid from the small and the large drop. This problem is discussed and one example showed. In many cases it is necessary to account also for heat transfer along with the fluid mechanics. We show two preliminary results where we are using extensions of the method to simulate such a problem. One example shows pattern formation among many drops moving due to thermal migration, the other shows unstable evolution of a solidification front.

Tryggvason, Gretar↗