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DOE OSTI2019

Experience with dynamic resource provisioning of the CMS online cluster using a cloud overlay

The primary goal of the online cluster of the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider (LHC) is to build event data from the detector and to select interesting collisions in the High Level Trigger (HLT) farm for offline storage. With more than 1500 nodes and a capacity of about 850 kHEPSpecInt06, the HLT machines represent similar computing capacity of all the CMS Tier1 Grid sites together. Moreover, it is currently connected to the CERN IT datacenter via a dedicated 160 Gbps network connection and hence can access the remote EOS based storage with a high bandwidth. In the last few years, a cloud overlay based on OpenStack has been commissioned to use these resources for the WLCG when they are not needed for data taking. This online cloud facility was designed for parasitic use of the HLT, which must never interfere with its primary function as part of the DAQ system. It also allows to abstract from the different types of machines and their underlying segmented networks. During the LHC technical stop periods, the HLT cloud is set to its static mode of operation where it acts like other grid facilities. The online cloud was also extended to make dynamic use of resources during periods between LHC fills. These periods are a-priori unscheduled and of undetermined length, typically of several hours, once or more a day. For that, it dynamically follows LHC beam states and hibernates Virtual Machines (VM) accordingly. Finally, this work presents the design and implementation of a mechanism to dynamically ramp up VMs when the DAQ load on the HLT reduces towards the end of the fill.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Investigating Spatial Variability of Aerosol, Cloud Condensation Nuclei, and Ice Nucleating Particles in Mountainous Terrain Field Campaign Report

The U.S. Department of Energy Atmospheric System Research (ASR)-supported Surface Atmosphere Integrated Field Laboratory (SAIL) campaign in the East River Watershed (ERW) of the Upper Colorado River Basin in southwestern Colorado ran from fall 2021 to spring 2023. Two monitoring sites were deployed in the ERW as part of SAIL. The two sites were the Aerosol Observation System (AOS) located on Crested Butte Ski Mountain, and the second ARM Mobile Facility (AMF2), located at the Rocky Mountain Biological Laboratory in Gothic, Colorado. To gain a more comprehensive understanding of aerosols in complex, mountainous terrain, Handix Scientific deployed SAIL-Net, a distributed network of six measurement nodes spanning the domain of the SAIL research area from October 2021 to July 2023. Each node measured aerosol particles between 140 nm and 3.4 μm in diameter using a small portable optical particle spectrometer (POPS; Gao et al. 2016), cloud condensation nuclei (CNN) using a miniature CCN counter (CloudPuck), and ice nucleating particles (INP) using the time-resolved aerosol filter sampler (TRAPS; Creamean et al. 2018). Our approach was similar to other studies that aimed to better characterize and understand aerosols and gas-phase pollutants using networks of lower-cost sensors (Caubel et al. 2019, Kelly et al. 2021, Asher et al. 2022). Such studies have identified neighborhood-level variations in pollutant concentrations (Schneider et al. 2017, Popoola et al. 2018, Caubel et al. 2019). Small-scale variations such as this are poorly represented in models and poorly measured by a single monitoring system (Caubel et al. 2019). Previous work has shown the representation error (the ability of measurements to represent a larger area) increases with complex orography, leading to decreases in model accuracy (Schutgens et al. 2017). The overall goal of SAIL-Net was to improve our understanding of the variability of aerosol in the ERW, thus increasing our knowledge of aerosol-cloud interactions in this region and informing the usefulness of distributed networks of measurements for future studies. We met this goal by answering the following science questions: 1. What is the aerosol temporal variability, and how does aerosol inhomogeneity vary seasonally? Is there significant seasonal variability in sources, or are short-term meteorological conditions the most important determining factor in sources for cloud nuclei? 2. What is the aerosol spatial variability? What are the aerosol characteristics at cloud base, presumably the particles most representative of those acting as cloud nuclei? 3. How should measurement networks be designed to capture aerosol-cloud interactions, and what do they need to measure? Can a single measurement site accurately represent aerosol properties in regions of complex terrain? SAIL-Net consisted of six measurement nodes spread across the ERW near Crested Butte, Colorado. The primary objective in site placement was to select locations that captured the vertical variation in aerosol properties while also spanning the domain of the SAIL campaign. The elevation of the sites ranged from roughly 2750 m along the valley floor of the ERW to approximately 3500 m near the top of Crested Butte Mountain, which is one of the taller peaks in the ERW. The farthest distance between sites was 14 km, while the closest two sites were approximately 1 km apart. Two of the sites were collocated with the ARM SAIL sites; our instruments sat on top of one of the trailers at AOS and another one of our sites was located in a meadow just above AMF2.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

PHALANX: Expendable Projectile Sensor Networks for Planetary Exploration

Technologies enabling long-term, wide-ranging measurement in hard-to-reach areas are a critical need for planetary science inquiry. Phenomena of interest include flows or variations in volatiles, gas composition or concentration, particulate density, or even simply temperature. Improved measurement of these processes enables understanding of exotic geologies and distributions or correlating indicators of trapped water or biological activity. However, such data is often needed in unsafe areas such as caves, lava tubes, or steep ravines not easily reached by current spacecraft and planetary robots. To address this capability gap, we have developed miniaturized, expendable sensors which can be ballistically lobbed from a robotic rover or static lander - or even dropped during a flyover. These projectiles can perform sensing during flight and after anchoring to terrain features. By augmenting exploration systems with these sensors, we can extend situational awareness, perform long-duration monitoring, and reduce utilization of primary mobility resources, all of which are crucial in surface missions. We call the integrated payload that includes a cold gas launcher, smart projectiles, planning software, network discovery, and science sensing: PHALANX. In this paper, we introduce the mission architecture for PHALANX and describe an exploration concept that pairs projectile sensors with a rover “mothership.” Science use cases explored include reconnaissance using ballistic cameras, volatiles detection, and building timelapse maps of temperature and illumination conditions. Strategies to autonomously coordinate constellations of deployed sensors to self-discover and localize with peer ranging (i.e. a “local GPS”) are summarized, thus providing communications infrastructure beyond-line-of-sight (BLOS) of the rover. Capabilities were demonstrated through both simulation and physical testing with a terrestrial prototype. The approach to developing a terrestrial prototype is discussed, including design of the launching mechanism, projectile optimization, micro-electronics fabrication, and sensor selection. Results from early testing and characterization of commercial-off-the-shelf (COTS) components are reported. Nodes were subjected to successful burn-in tests over 48 hours at full logging duty cycle. Integrated field tests were conducted in the Roverscape, a half-acre planetary analog environment at NASA Ames, where we tested up to 10 sensor nodes simultaneously coordinating with an exploration rover. Ranging accuracy has been demonstrated to be within +/-10cm over 20m using commodity radios when compared to high-resolution laser scanner ground truthing. Evolution of the design, including progressive miniaturization of the electronics and iterated modifications of the enclosure housing for streamlining and optimized radio performance are described. Finally, lessons learned to date, gaps toward eventual flight mission implementation, and continuing future development plans are discussed.

Dille, Michael↗

NASA NTRS2014

Clearance Analysis of Node 3 Aft CBM to the Stowed FGB Solar Array

In early 2011, the ISS Vehicle Configuration Office began considering the relocation of the Permanent Multipurpose Module (PMM) to the aft facing Common Berthing Mechanism (CBM) on Node 3 to open a berthing location for visiting vehicles on the Node 1 nadir CBM. In this position, computer-aided design (CAD) models indicated that the aft end of the PMM would be only a few inches from the stowed Functional Cargo Block (FGB) port solar array. To validate the CAD model clearance analysis, in the late summer of 2011 the Image Science and Analysis Group (ISAG) was asked to determine the true geometric relationship between the on-orbit aft facing Node 3 CBM and the FGB port solar array. The desired measurements could be computed easily by photogrammetric analysis if current imagery of the ISS hardware were obtained. Beginning in the fall of 2011, ISAG used the Dynamic Onboard Ubiquitous Graphics (DOUG) program to design a way to acquire imagery of the aft face of Node 3, the aft end-cone of Node 1, the port side of pressurized mating adapter 1 (PMA1), and the port side of the FGB out to the tip of the port solar array using cameras on the Space Station Remote Manipulator System (SSRMS). This was complicated by the need to thread the SSRMS under the truss, past Node 3 and the Cupola, and into the space between the aft side of Node 3 and the FGB solar array to acquire more than 100 images from multiple positions. To minimize the number of SSRMS movements, the Special Purpose Dexterous Manipulator (SPDM) would be attached to the SSRMS. This would make it possible to park the SPDM in one position and acquire multiple images by changing the viewing orientation of the SPDM body cameras using the pan/tilt units on which the cameras are mounted. Using this implementation concept, ISAG identified four SSRMS/SPDM positions from which all of the needed imagery could be acquired. Based on a photogrammetric simulation, it was estimated that the location of the FGB solar array could be measured within an accuracy of about 1 in. in each axis relative to the ISS Analysis Coordinate System (ISSACS). In October 2011, a proposed image-acquisition plan was drafted by ISAG and released for review. The ISS Robotics flight control team (ROBO) proposed minor changes to SPDM positions 1 and 4 to meet ISS proximity requirements. The updated image acquisition plan and draft chit were presented to and approved by the Systems Working Group (SWG) November 18 and were sent to the Vehicle Configuration Board (VCB) in early December 2011. Working with ROBO on 3 successive days (February 21, 22, and 23), ISAG collected 161 images of the ISS. Approximately 40 images were collected from each of the four different SSRMS/SPDM positions, with each set mapping the region from the Node 3 end cone, across Node 1, along the forward port side portion of the FGB, and out the port side FGB solar arrays. From this imagery, the best 80 images were selected for use in the analysis. The images were radiometrically enhanced to improve color and contrast and loaded into the FotoG analysis software along with the camera parameters and control data, which consisted of the coordinates for 54 handrail attachment bolts on the aft face of Node 3, in the ISSACS coordinate system. The results of this analysis produced the measured coordinates of 116 points distributed across the face of the FGB solar array panels (see figure 3) along with propagated uncertainty estimates in each coordinate axis. These results were sent to the ISS Vehicle Configuration Office, which sent them to the Configuration Analysis Modeling and Mass Properties (CAMMP) team for comparison with the Russian-provided CAD model for the retracted FGB solar arrays. The CAMMP analysis unexpectedly showed that the measured location of the port FGB solar array was up to 41-in. further outboard than the design and was slightly twisted about its rotational axis. The unexpected comparison results produced some initial concern regarding the accuracy of the photogrammetric measurements. To verify the measured results, ISAG personnel conducted a second analysis using just the imagery of the solar arrays in an arbitrary coordinate system defined by the three corner points of the inboard-most panel, with the design distance between points A1 and A10 as the only scale. The new measurements agreed with the original results to within less than 1 in. RMS in each axis, confirming the original solar array measurements. ISAG produced a final report for the ISS Vehicle Configuration Office documenting an apparent anomaly in the retracted configuration of the port FGB solar arrays. A copy of the measurement report was translated and sent to the Russian Space Agency. During a Vehicle Integrated Performance and Resources (VIPeR) teleconference September 24, 2012, the Russians acknowledged receipt of a translated copy of the ISAG report. The Russian representative stated that the head of the solar array design team claimed that the measured configuration was impossible unless the structure was physically broken. The Russians acknowledged that they had no expertise in photogrammetry, so the analysis technique employed was a "black box" to them, and they did not know how to use the ISAG results. They asked for a single image in which the overextension of the port solar array could be obviously seen. On November 10, 2012, during a face-to-face meeting with their Russian counterparts at JSC, ISAG presented nadir-view imagery of the FGB acquired during Space Shuttle rendezvous. Using the known width of the pressurized portion of the FGB as a scale, this analysis clearly showed that the port FGB solar array was extended outboard further than the Russian design for the retracted solar array.

Liddle, Donn↗

NASA NTRS1984

Space station orbit selection

Architecture and operations with respect to a permanent manned space facility are being studied, and basic modules of such a space station could be in orbit by 1992. A manned space station in low-earth orbit (LEO) represents a transportation node between the Space Shuttle and orbital transfer vehicles which together comprise a total space transportation system. The present investigation has the objective to examine the trades between performance and operational requirements of a space transportation system which affect space station orbit selection. Factors influencing the trades and selection process include launch vehicle and orbital transfer vehicle (OTV) delivery performance, vehicle launch frequency and windows, station drag characteristics, drag-makeup propulsion, and minimum orbital lifetime requirements.

Talay, T. A.↗

DOE OSTI2019

Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo

Due to their diverse nature, the faithful description of excited states within electronic structure theory methods remains one of the grand challenges of modern theoretical chemistry. Quantum Monte Carlo (QMC) methods have been applied very successfully to ground state properties but still remain generally less effective than other non-stochastic methods for electronically excited states. Nonetheless, we have recently reported accurate excitation energies for small organic molecules at the fixed-node diffusion Monte Carlo (FN-DMC) within a Jastrow-free QMC protocol relying on a deterministic and systematic construction of nodal surfaces using the selected configuration interaction (sCI) algorithm known as CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively). Albeit highly accurate, these all-electron calculations are computationally expensive due to the presence of core electrons. One very popular approach to remove these chemically-inert electrons from the QMC simulation is to introduce pseudopotentials (also known as effective core potentials). Taking the water molecule as an example, we investigate the influence of Burkatzki-Filippi-Dolg (BFD) pseudopotentials and their associated basis sets on vertical excitation energies obtained with sCI and FN-DMC methods. Although these pseudopotentials are known to be relatively safe for ground state properties, we evidence that special care may be required if one strives for highly accurate vertical transition energies. Indeed, comparing all-electron and valence-only calculations, we show that using pseudopotentials with the associated basis sets can induce differences of the order of 0.05 eV on the excitation energies. Fortunately, a reasonable estimate of this shift can be estimated at the sCI level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Resilient Entanglement Distribution in a Multihop Quantum Network

The evolution of quantum networking requires architectures capable of dynamically reconfigurable entanglement distribution to meet diverse user needs and ensure tolerance against transmission disruptions. We introduce multihop quantum networks to improve network reach and resilience by enabling quantum communications across intermediate nodes, thus broadening network connectivity and increasing scalability. We present multihop two-qubit polarization-entanglement distribution within a quantum network at the Oak Ridge National Laboratory campus. Our system uses wavelength-selective switches for adaptive bandwidth management on a software-defined quantum network that integrates a quantum data plane with classical data and control planes, creating a flexible, reconfigurable mesh. Our network distributes entanglement across six nodes within three subnetworks, each located in a separate building, optimizing quantum state fidelity and transmission rate through adaptive resource management. Additionally, we demonstrate the network's resilience by implementing a link recovery approach that monitors and reroutes quantum resources to maintain service continuity despite link failures—paving the way for scalable and reliable quantum networking infrastructures.

Alshowkan, Muneer [Oak Ridge National Laboratory (↗

NASA NTRS1992

BETA: Behavioral testability analyzer and its application to high-level test generation and synthesis for testability

In this thesis, a behavioral-level testability analysis approach is presented. This approach is based on analyzing the circuit behavioral description (similar to a C program) to estimate its testability by identifying controllable and observable circuit nodes. This information can be used by a test generator to gain better access to internal circuit nodes and to reduce its search space. The results of the testability analyzer can also be used to select test points or partial scan flip-flops in the early design phase. Based on selection criteria, a novel Synthesis for Testability approach call Test Statement Insertion (TSI) is proposed, which modifies the circuit behavioral description directly. Test Statement Insertion can also be used to modify circuit structural description to improve its testability. As a result, Synthesis for Testability methodology can be combined with an existing behavioral synthesis tool to produce more testable circuits.

Chen, Chung-Hsing↗

NASA NTRS1995

Reducing neural network training time with parallel processing

Obtaining optimal solutions for engineering design problems is often expensive because the process typically requires numerous iterations involving analysis and optimization programs. Previous research has shown that a near optimum solution can be obtained in less time by simulating a slow, expensive analysis with a fast, inexpensive neural network. A new approach has been developed to further reduce this time. This approach decomposes a large neural network into many smaller neural networks that can be trained in parallel. Guidelines are developed to avoid some of the pitfalls when training smaller neural networks in parallel. These guidelines allow the engineer: to determine the number of nodes on the hidden layer of the smaller neural networks; to choose the initial training weights; and to select a network configuration that will capture the interactions among the smaller neural networks. This paper presents results describing how these guidelines are developed.

Rogers, James L., Jr.↗

DOE OSTI2017

Efficient packet forwarding using cyber-security aware policies

For balancing load, a forwarder can selectively direct data from the forwarder to a processor according to a loading parameter. The selective direction includes forwarding the data to the processor for processing, transforming and/or forwarding the data to another node, and dropping the data. The forwarder can also adjust the loading parameter based on, at least in part, feedback received from the processor. One or more processing elements can store values associated with one or more flows into a structure without locking the structure. The stored values can be used to determine how to direct the flows, e.g., whether to process a flow or to drop it. The structure can be used within an information channel providing feedback to a processor.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2011

Collaborative Clustering for Sensor Networks

Traditionally, nodes in a sensor network simply collect data and then pass it on to a centralized node that archives, distributes, and possibly analyzes the data. However, analysis at the individual nodes could enable faster detection of anomalies or other interesting events, as well as faster responses such as sending out alerts or increasing the data collection rate. There is an additional opportunity for increased performance if individual nodes can communicate directly with their neighbors. Previously, a method was developed by which machine learning classification algorithms could collaborate to achieve high performance autonomously (without requiring human intervention). This method worked for supervised learning algorithms, in which labeled data is used to train models. The learners collaborated by exchanging labels describing the data. The new advance enables clustering algorithms, which do not use labeled data, to also collaborate. This is achieved by defining a new language for collaboration that uses pair-wise constraints to encode useful information for other learners. These constraints specify that two items must, or cannot, be placed into the same cluster. Previous work has shown that clustering with these constraints (in isolation) already improves performance. In the problem formulation, each learner resides at a different node in the sensor network and makes observations (collects data) independently of the other learners. Each learner clusters its data and then selects a pair of items about which it is uncertain and uses them to query its neighbors. The resulting feedback (a must and cannot constraint from each neighbor) is combined by the learner into a consensus constraint, and it then reclusters its data while incorporating the new constraint. A strategy was also proposed for cleaning the resulting constraint sets, which may contain conflicting constraints; this improves performance significantly. This approach has been applied to collaborative clustering of seismic and infrasonic data collected by the Mount Erebus Volcano Observatory in Antarctica. Previous approaches to distributed clustering cannot readily be applied in a sensor network setting, because they assume that each node has the same view of the data set. A view is the set of features used to represent each object. When a single data set is partitioned across several computational nodes, distributed clustering works; all objects have the same view. But when the data is collected from different locations, using different sensors, a more flexible approach is needed. This approach instead operates in situations where the data collected at each node has a different view (e.g., seismic vs. infrasonic sensors), but they observe the same events. This enables them to exchange information about the likely cluster membership relations between objects, even if they do not use the same features to represent the objects.

Wagstaff. Loro :/↗

NASA NTRS2017

Microbiological Horticultural Internship Final Abstract

GMO dwarf plum (Prunus domestica) is being evaluated as a candidate food crop for long duration space flight missions. A project was undertaken to develop a protocol for transferring selected genetic lines of GMO plum (previously maintained in pots and propagated by cuttings at NASA's Kennedy Space Center in Florida) into in vitro tissue culture. In vitro culture may reduce the space, materials, and labor required to maintain the current lines of GMO plum and better preserve them for future study. Fresh plant material from three selected GMO plum lines (NASA-5, NASA-10, and NASA-11) and a non-modified control line (Control-5) were processed aseptically into in vitro culture on four separate occasions. The impact of multiple treatments on the successful growth of GMO plum tissue in vitro were tested: Parent explant tissue type (leaf petioles, stem nodes containing buds and internodes without buds), tissue sterilization method [soaking in 10 bleach only (5 min for petioles or 10 min for nodesinternodes), or soaking in 70 EtOH (30 sec) followed by 10 bleach (5 min for petioles and 10 min for nodesinternodes)], and media type [three Murashige and Skoog-based medias (SGM, SRM, and SRM+2,4-D) and one recipe containing woody plant media (WPM)]. 22.2 of the plates containing tissue sterilized with bleach alone developed microbial contamination after two weeks, while only 11.8 of plates containing tissue sterilized sequentially with EtOH and bleach developed contamination. Node bud tissue from all four genetic lines of plum produced leafy plantlets on SGM and SRM media after 4-6 weeks. The most numerous and well-developed plantlets were present on SGM. Upon reaching suitable size, plantlets were transferred to larger media containers for further growth. Some node bud growth occurred on SRM+2,4-D and WPM 2.5 weeks after plating, however as of yet no pieces on SRM+2,4-D have adequate development for transferring. Tissue pieces from NASA-5 plated on WPM are developing leaves and will be ready for transferring soon. Petioles and internode tissue lacking bud meristem failed to produce any plantlets on any plates, however petioles developed large masses of undifferentiated callus tissue on SRM+2,4-D media. These callused pieces were then transferred to SRM+TDZ media, which resulted in even larger callus growth but no differentiation. All four selected plum lines were successfully transitioned into in vitro culture. Nodes from NASA-5 and NASA-10 lines produced the most numerous and well-developed leafy plantlets in vitro, while those from NASA-11 and Control-5 were generally smaller, slower growing and less numerous. The best method overall was to use young stem node tissue with buds, surface sterilize the pieces sequentially with 70 EtOH and 10 bleach, and then plate them onto SGM media. Future areas of study will include introducing additional genetic lines of GMO plum into in vitro culture, attempting to induce shoot growth in petiole callus tissue, testing methods (such as cold storage) that extend the time interval between transferring explants into new media, and testing viability of plantlets transferred from in vitro culture back to traditional pot culture.

bioregenerative life support↗

DOE OSTI2023

An ultrahigh-resolution E3SM land model simulation framework and its first application to the Seward Peninsula in Alaska

The availability of supercomputers and state-of-science datasets has made it possible to conduct large-scale land simulations at an ultrahigh-resolution. This study reported a computational framework for land surface simulation using the E3SM land model (ELM) at an unprecedented resolution (1 km x 1 km gridcell). The ultrahigh-resolution ELM (uELM) simulation framework includes three parts: (1) high-resolution atmospheric forcing and surface properties dataset generation, (2) massive gridcell-based simulation, and (3) large-scale simulation results analysis. Additionally, we implemented the uELM simulation framework and completed the first 1 km x 1 km terrestrial ecosystem simulation (from 1850 to 2014) over the Seward Peninsula in Alaska (78,000 km 2 ). The experiment contained two phases: a spin-up simulation and a transient simulation, and required five weeks of calculations using 320 cores in a 44-node Linux HPC computer. It created approximately 1.3 TB of data from the transient simulation alone (1850 - present). We selected sample results (monthly and daily simulation outputs) to illustrate the temporal and spatial variations of several variables in high-latitude Arctic ecosystems’ water, energy, and carbon cycles. At last, we summarized the lessons learned and proposed new developments for full-scale uELM simulations over the entire North American continent (approximately 22,000,000 km 2 ).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Investigating the Influence of Hexanuclear Clusters in Isostructural Metal–Organic Frameworks on Toxic Gas Adsorption

The efficient capture of toxic gases, such as ammonia (NH 3 ) and sulfur dioxide (SO 2 ), can protect the general population and mitigate widespread air pollution. Metal–organic frameworks (MOFs) comprise a tunable class of adsorbents with high surface areas that can meet this challenge by selectively capturing these gases at low concentrations. In this work, we explored how modifying the metal ions in the node of an isostructural MOF series from a transition metal to a lanthanide or actinide influences the electronic environment of the node-based active site. Next, we investigated the adsorption properties of each MOF toward the relatively basic NH 3 and relatively acidic SO 2 gases. Within the NU-907 family of MOFs, we found that Zr 6 -NU-907 exhibits the best uptake toward NH 3 at low pressures, while Th 6 -NU-907 demonstrates the best low-pressure performance for SO 2 adsorption. Here, tracking the infrared (IR) stretching frequency of the node-based μ 3 -OH groups provides insights into the electronegativity of the metal ion and suggests that the most electronegative metal ion (Zr) affords the node with the best NH 3 uptake at low pressures. In contrast, the Th 6 node contains additional coordinated water groups relative to the other M 6 nodes, which appears to yield the MOF with the greatest affinity for SO 2 uptake that occurs predominately through reversible physisorption interactions. Finally, in situ NH3 IR spectroscopic studies indicate that both NH 4 + and Lewis-bound NH 3 species form during adsorption. Combined, these results suggest that tuning the electronic properties and structure of the node-based active site in an MOF presents a viable strategy to change the affinity of an MOF toward toxic gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Au-activated N motifs in non-coherent cupric porphyrin metal organic frameworks for promoting and stabilizing ethylene production

Direct implementation of metal-organic frameworks as the catalyst for CO 2 electroreduction has been challenging due to issues such as poor conductivity, stability, and limited > 2e - products. In this study, Au nanoneedles are impregnated into a cupric porphyrin-based metal-organic framework by exploiting ligand carboxylates as the Au 3+ -reducing agent, simultaneously cleaving the ligand-node linkage. Surprisingly, despite the lack of a coherent structure, the Au-inserted framework affords a superb ethylene selectivity up to 52.5% in Faradaic efficiency, ranking among the best for metal-organic frameworks reported in the literature. Through operando X-ray, infrared spectroscopies and density functional theory calculations, the enhanced ethylene selectivity is attributed to Au-activated nitrogen motifs in coordination with the Cu centers for C-C coupling at the metalloporphyrin sites. Furthermore, the Au-inserted catalyst demonstrates both improved structural and catalytic stability, ascribed to the altered charge conduction path that bypasses the incoherent framework. This study underlines the modulation of reticular metalloporphyrin structure by metal impregnation for steering the CO 2 reduction reaction pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Computing Orbital Viewing Parameters

QUIKVIS computer program calculates times during orbit around Earth when geometric requirements satisfied for observing celestial objects. Observed objects fixed (e.g. stars) or moving (Sun, Moon, planets). Useful for preflight analysis by those needing information on availability of celestial objects to be observed. Performs two types of analyses: One used when specific objects known, other when targets unknown and potentially useful regions of sky must be identified. Results useful in selecting candidate targets, examining effects of observation requirements, and doing gross assessments of effects of right ascension of ascending node (RAAN) of orbit. Written in FORTRAN 77.

Petruzzo, Charles↗

NASA NTRS2012

Deep Space Habitat Configurations Based On International Space Station Systems

A Deep Space Habitat (DSH) is the crew habitation module designed for long duration missions. Although humans have lived in space for many years, there has never been a habitat beyond low-Earth-orbit. As part of the Advanced Exploration Systems (AES) Habitation Project, a study was conducted to develop weightless habitat configurations using systems based on International Space Station (ISS) designs. Two mission sizes are described for a 4-crew 60-day mission, and a 4-crew 500-day mission using standard Node, Lab, and Multi-Purpose Logistics Module (MPLM) sized elements, and ISS derived habitation systems. These durations were selected to explore the lower and upper bound for the exploration missions under consideration including a range of excursions within the Earth-Moon vicinity, near earth asteroids, and Mars orbit. Current methods for sizing the mass and volume for habitats are based on mathematical models that assume the construction of a new single volume habitat. In contrast to that approach, this study explored the use of ISS designs based on existing hardware where available and construction of new hardware based on ISS designs where appropriate. Findings included a very robust design that could be reused if the DSH were assembled and based at the ISS and a transportation system were provided for its return after each mission. Mass estimates were found to be higher than mathematical models due primarily to the use of multiple ISS modules instead of one new large module, but the maturity of the designs using flight qualified systems have potential for improved cost, schedule, and risk benefits.

Smitherman, David↗

NASA NTRS2012

Deep Space Habitat Configurations Based on International Space Station Systems

Smitherman, David↗