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Materials properties data base computerization

Material property data plays a key role in the design of jet engine components. Consistency, accuracy and efficient use of material property data is of prime importance to the engineering community. The system conception, development, implementation, and future plans for computer software that captures the Material Properties Handbook into a scientific data base are described. The engineering community is given access to raw data and property curves, display of multiple curves for material evaluation and selection, direct access by design analysis computer programs, display of the material specification, and a historical repository for the material evolution. The impact of this activity includes significant productivity gains and cost reductions; all users have access to the same information nd provides consistent, rapid response to the needs of the engineering community. Future plans include incorporating the materials properties data base into a network environment to access information from other data bases and download information to engineering work stations.

Baur, R. G.↗

The SSABLE system - Automated archive, catalog, browse and distribution of satellite data in near-real time

Historically, locating and browsing satellite data has been a cumbersome and expensive process. This has impeded the efficient and effective use of satellite data in the geosciences. SSABLE is a new interactive tool for the archive, browse, order, and distribution of satellite date based upon X Window, high bandwidth networks, and digital image rendering techniques. SSABLE provides for automatically constructing relational database queries to archived image datasets based on time, data, geographical location, and other selection criteria. SSABLE also provides a visual representation of the selected archived data for viewing on the user's X terminal. SSABLE is a near real-time system; for example, data are added to SSABLE's database within 10 min after capture. SSABLE is network and machine independent; it will run identically on any machine which satisfies the following three requirements: 1) has a bitmapped display (monochrome or greater); 2) is running the X Window system; and 3) is on a network directly reachable by the SSABLE system. SSABLE has been evaluated at over 100 international sites. Network response time in the United States and Canada varies between 4 and 7 s for browse image updates; reported transmission times to Europe and Australia typically are 20-25 s.

Simpson, James J.↗

Machine-learning Solution for Automatic Spacesuit Motion Recognition and Measurement from Conventional Video

Extravehicular Activity (EVA) spacesuits exhibit unique movement patterns due to their design characteristics. Mobility assessments using traditional motion capture systems are cost prohibitive and not feasible for some training conditions (e.g., simulated lunar outdoor terrain). This paper aims to present the ongoing development of machine learning solutions to quantify suit motions from conventional videos without special sensors or hardware. Preliminary work into this field was promising but given the fast growth in deep/machine learning technologies, external expertise was sought from open-source communities. Partnerships were formed with the NASA JSC Center of Excellence for Collaborative Innovation (CoCEI) and an execution crowdsourcing platform partner to solicit machine learning framework developments from external contenders. NASA provided contenders with images and video clips of spacesuits with simultaneously measured motion capture data during EVA simulation tasks. The contenders used this data to train and develop generalized algorithms to predict motions. At the end of the crowdsourcing event, the top five solutions were selected from 250 submissions. Each submission was tested and scored using video clips not previously disclosed to the contenders. The weighted scoring metrics measured how well the algorithm detected the suit shape, the 2D suit joint detection accuracy, and 3D joint detection accuracy. The winning solution was able to achieve roughly 85% prediction accuracy. Overall, the algorithms could efficiently detect various types of spacesuits and motions across different EVA environments such as the NASA Active Response Gravity Offload System (ARGOS). After continued improvements and validation, the fully developed system will enable EVA stakeholders to quantify suit kinematic patterns, which can help optimize suit, hardware, and task designs.

Linh Vu↗

Mission Design Overview for Mars 2003/2005 Sample Return Mission

In May 2003, a new and exciting chapter in Mars exploration will begin with the launch of the first of three spacecraft that will collectively contribute toward the goal of delivering samples from the Red Planet to Earth. This mission is called Mars Sample Return (MSR) and will utilize both the 2003 and 2005 launch opportunities with an expected sample return in October 2008. NASA and CNES are major partners in this mission. The baseline mission mode selected for MSR is Mars orbit rendezvous (MOR), analogous in concept to the lunar orbit rendezvous (LOR) mode used for Apollo in the 1960s. Specifically, MSR will employ two NASA-provided landers of nearly identical design and one CNES-provided orbiter carrying a NASA payload of rendezvous sensors, orbital capture mechanisms, and an Earth entry vehicle (EEV). The high-level concept is that the landers will launch surface samples into Mars orbit, and the orbiter will retrieve the samples in orbit and then carry them back to Earth. The first element to depart for Mars will be one of the two landers. Currently, it is proposed that an intermediate class launch vehicle, such as the Boeing Delta 3 or Lockheed Martin Atlas 3A, will launch this 1800-kg lander from Cape Canaveral during the May 2003 opportunity. The lander will utilize a Type-1 transfer trajectory with an arrival at Mars in mid-December 2003. Landing will be aided by precision approach navigation and a guided hypersonic entry to achieve a touchdown accuracy of 10 km or better. Although the exact landing site has not yet been determined, it is estimated that lander resource constraints will limit the site to between 15 degrees north and south latitudes. Following touchdown, the lander will deploy a six-wheeled, 60-kg rover carrying an extensive suite of instruments designed to aid in the analysis of the local terrain and collection of core samples from selected rocks. The surface mission is currently designed around a concept called the surface traverse. Each traverse will involve the rover exploring a selected area of terrain up to 100 meters from the lander, the collection of rock core samples, and the delivery of the samples from the traverse back to a sample canister on the lander. Planning estimates indicate that up to three traverses may be possible during the expected 90-sol lifetime of the lander. The canister that will receive the samples from the rover will be attached to the top stage of a small solid-fueled rocket mounted to the deck of the lander. This rocket is called the Mars Ascent Vehicle (MAV) and consists of three stages weighing a total of about 140 kg. After the conclusion of the surface mission, the MAV will lift-off and insert the sample canister into a near-circular orbit with an altitude of about 600 km and inclination of 45 degrees. The sample canister will wait in this orbit until it is retrieved by the orbiter sometime in early 2007. In August 2005, the second lander and a CNES-provided orbiter weighing 2700 kg will depart for Mars. Currently, it is proposed that a single Ariane 5 provided by CNES will launch both of these two elements onto a Type-2 transfer trajectory. Although the orbiter and lander will be launched together, they will separate shortly after injection and will fly to Mars as two independent spacecraft. However, both spacecraft will perform a maneuver between 10 and 15 days after launch so that their arrival times at Mars differ by between 12 and 24 hours. This scheme will reduce the operational complexity at the encounter date. A set of four 60-kg surface probes will ride piggyback on the orbiter to Mars. These CNES-provided probes are called Netlanders and will serve as surface stations for scientific investigations independent of the Mars Sample Return goals. Starting approximately one month prior to arrival at Mars, the orbiter will begin to release the Netlanders one at a time. Each release cycle will take several days, and will include time for precision navigation to execute one or two maneuvers that will target the Netlanders to their proper landing site. All four deployment cycles will be completed prior to 10 days before arrival. Both the orbiter and lander will arrive in late-July 2006. Upon arrival, the lander will perform a precision landing and surface mission similar in concept to the one that was executed during the 2003 opportunity. Although the landing site for the 2005 opportunity has not been selected, it is expected to be different from the 2003 site to enhance the diversity of the collected samples. The orbiter's arrival at Mars will be highlighted by the first use of aerocapture to insert a spacecraft into a capture orbit around another planet. The choice of aerocapture, as opposed to a propulsive orbit insertion, was considered mission enabling due to a reduction of over 2000 m/s in mission AV. Aerocapture will be targeted to produce a 250 km x 1400 km capture orbit with an inclination of 45 degrees. Current analysis indicates that achieving this goal will require approximately six minutes of flight deep in the atmosphere with a targeted periapsis of approach of about 43 km. After factoring into account the penalty for carrying a heat shield to survive aerocapture, the net savings compared to a propulsive orbital insertion amounts to several hundred kilograms.

Lee, Wayne J.↗

Genetics and Genomics of Pathogen Resistance in Switchgrass (Final Report)

This project was funded by DOE under Grant no. DE-SC0016108. Originally approved for the 2016-2019 period, two no-cost extensions were solicited and approved, which prolonged the lifespan through July 2021. This final report informs on the results obtained so far from the research implemented. The research hinged on integrating genomics (genomic selection, RNAseq, virus-plant interactions) with classical genetics (conventional breeding) to incorporate durable resistance to fungal (rust) and viral (mosaic) diseases in switchgrass (Panicum virgatum) populations being bred for bioenergy. Higher biomass yield, higher quality (low lignin content), and durable disease resistance are key features to make lignocellulosic switchgrass feedstocks economically competitive and sustainable. Genomic selection is being applied on three generations of a switchgrass population derived from crossing two ecotypes (Kanlow as lowland female and Summer as upland male) with differential performance in terms of biomass yield and quality, disease resistance, and winter survivability. Target populations were screened for rust and mosaic in field and/or lab and phenotyped for biomass yield and quality traits. Genetic analyses were applied across generations to capture the joint inheritance of the targeted traits and predict breeding values for parents and progeny with greater accuracy. Parental and a panel of different switchgrass populations were genotyped with the DArTseq technology to develop SNP (0, 1, 2) and in-silico (presence/absence) DArT markers. Rust inoculations techniques were developed and applied successfully on switchgrass. The original populations (Kanlow and Summer) were sequenced with RNAseq to capture the gene expression profiles across sequential time-points and appraise the basis of greater resistance in the Kanlow vs the Summer ecotype. Constructs of PMV and sPMV mosaic virus were assembled and tested first on proso millet to find the best protocol to use later on switchgrass. Results from the preliminary analyses indicate that 1) ample additive genetic variation is available for selection and improving this inter-ecotypic population for yield, quality, and disease traits, 2) significant gains are to be expected with the genetic correlations being favorable between yield and lignin content and between yield and disease ratings, 3) substantial differences exist in the genetic regions controlling rust resistance in the two ecotypes, 4) co-infection with PMV isolates from Nebraska and its satellite from Kansas elicit severe mosaic symptoms, and 5) two different genetic systems are responsible for imparting resistance to rust and virus in switchgrass.

59 BASIC BIOLOGICAL SCIENCES↗

Tuning the pore chemistry of Zr-MOFs for efficient metal ion capture from complex streams

Metal–organic frameworks (MOFs) have shown promise for adsorptive separations of metal ions. Herein, MOFs based on highly stable Zr(IV) building units were systematically functionalized with targeted metal binding groups. In this study, through competitive adsorption studies, it was shown that the selectivity for different metal ions was directly tunable through functional group chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A comparison of probabilistic generative frameworks for molecular simulations

Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking their performance on molecular data are lacking. Here, in this work, we introduce and explain several classes of generative models, broadly sorted into two categories: flow-based models and diffusion models. We select three representative models: neural spline flows, conditional flow matching, and denoising diffusion probabilistic models, and examine their accuracy, computational cost, and generation speed across datasets with tunable dimensionality, complexity, and modal asymmetry. Our findings are varied, with no one framework being the best for all purposes. In a nutshell, (i) neural spline flows do best at capturing mode asymmetry present in low-dimensional data, (ii) conditional flow matching outperforms other models for high-dimensional data with low complexity, and (iii) denoising diffusion probabilistic models appear the best for low-dimensional data with high complexity. Our datasets include a Gaussian mixture model and the dihedral torsion angle distribution of the Aib9 peptide, generated via a molecular dynamics simulation. We hope our taxonomy of probabilistic generative frameworks and numerical results may guide model selection for a wide range of molecular tasks.

Artificial intelligence↗

Global wave energy resource classification system for regional energy planning and project development

Efforts to streamline and codify wave energy resource characterization and assessment for regional energy planning and wave energy converter (WEC) project development have motivated the recent development of resource classification systems. Given the unique interplay between WEC absorption and resource attributes, viz, available wave power frequency, directionality, and seasonality, various consensus resource classification metrics have been introduced. However, the main international standards body for the wave energy industry has not reached consensus on a wave energy resource classification system designed with clear goals to facilitate resource assessment, regional energy planning, project site selection, project feasibility studies, and selection of WEC concepts or archetypes that are most suitable for a given wave energy climate. In this work, a primary consideration of wave energy generation is the available energy that can be captured by WECs with different resonant frequency and directional bandwidths. Therefore, the proposed classification system considers combinations of three different wave power classifications: the total wave power, the frequency-constrained wave power, and the frequency-directionally constrained wave power. The dominant wave period bands containing the most wave power are sub-classification parameters that provide useful information for designing frequency and directionally constrained WECs. The bulk of the global wave energy resource is divided into just 22 resource classes representing distinct wave energy climates that could serve as a common language and reference framework for wave energy resource assessment if codified within international standards.

16 TIDAL AND WAVE POWER↗

Cellular fluidics

The natural world provides many examples of multiphase transport and reaction processes that have been optimized by evolution. These phenomena take place at multiple length and time scales and typically include gas–liquid–solid interfaces and capillary phenomena in porous media. Many biological and living systems have evolved to optimize fluidic transport. However, living things are exceptionally complex and very difficult to replicate, and human-made microfluidic devices (which are typically planar and enclosed) are highly limited for multiphase process engineering. In this paper, we introduce the concept of cellular fluidics: a platform of unit-cell-based, three-dimensional structures—enabled by emerging 3D printing methods—for the deterministic control of multiphase flow, transport and reaction processes. We show that flow in these structures can be ‘programmed’ through architected design of cell type, size and relative density. We demonstrate gas–liquid transport processes such as transpiration and absorption, using evaporative cooling and CO 2 capture as examples. We design and demonstrate preferential liquid and gas transport pathways in three-dimensional cellular fluidic devices with capillary-driven and actively pumped liquid flow, and present examples of selective metallization of pre-programmed patterns. Our results show that the design and fabrication of architected cellular materials, coupled with analytical and numerical predictions of steady-state and dynamic behaviour of multiphase interfaces, provide deterministic control of fluidic transport in three dimensions. Cellular fluidics may transform the design space for spatial and temporal control of multiphase transport and reaction processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A hybrid inorganic–biological artificial photosynthesis system for energy-efficient food production

Artificial photosynthesis systems are proposed as an efficient alternative route to capture CO 2 to produce additional food for growing global demand. Here a two-step CO 2 electrolyser system was developed to produce a highly concentrated acetate stream with a 57% carbon selectivity (CO 2 to acetate), allowing its direct use for the heterotrophic cultivation of yeast, mushroom-producing fungus and a photosynthetic green alga, in the dark without inputs from biological photosynthesis. An evaluation of nine crop plants found that carbon from exogenously supplied acetate incorporates into biomass through major metabolic pathways. Coupling this approach to existing photovoltaic systems could increase solar-to-food energy conversion efficiency by about fourfold over biological photosynthesis, reducing the solar footprint required. This technology allows for a reimagination of how food can be produced in controlled environments.

59 BASIC BIOLOGICAL SCIENCES↗

Representativeness assessment of the pan-Arctic eddy covariance site network and optimized future enhancements

Abstract. Large changes in the Arctic carbon balance are expected as warming linked to climate change threatens to destabilize ancient permafrost carbon stocks. The eddy covariance (EC) method is an established technique to quantify net losses and gains of carbon between the biosphere and atmosphere at high spatiotemporal resolution. Over the past decades, a growing network of terrestrial EC tower sites has been established across the Arctic, but a comprehensive assessment of the network's representativeness within the heterogeneous Arctic region is still lacking. This creates additional uncertainties when integrating flux data across sites, for example when upscaling fluxes to constrain pan-Arctic carbon budgets and changes therein. This study provides an inventory of Arctic (here > = 60∘ N) EC sites, which has also been made available online (https://cosima.nceas.ucsb.edu/carbon-flux-sites/, last access: 25 January 2022). Our database currently comprises 120 EC sites, but only 83 are listed as active, and just 25 of these active sites remain operational throughout the winter. To map the representativeness of this EC network, we evaluated the similarity between environmental conditions observed at the tower locations and those within the larger Arctic study domain based on 18 bioclimatic and edaphic variables. This allows us to assess a general level of similarity between ecosystem conditions within the domain, while not necessarily reflecting changes in greenhouse gas flux rates directly. We define two metrics based on this representativeness score: one that measures whether a location is represented by an EC tower with similar characteristics (ER1) and a second for which we assess if a minimum level of representation for statistically rigorous extrapolation is met (ER4). We find that while half of the domain is represented by at least one tower, only a third has enough towers in similar locations to allow reliable extrapolation. When we consider methane measurements or year-round (including wintertime) measurements, the values drop to about 1/5 and 1/10 of the domain, respectively. With the majority of sites located in Fennoscandia and Alaska, these regions were assigned the highest level of network representativeness, while large parts of Siberia and patches of Canada were classified as underrepresented. Across the Arctic, mountainous regions were particularly poorly represented by the current EC observation network. We tested three different strategies to identify new site locations or upgrades of existing sites that optimally enhance the representativeness of the current EC network. While 15 new sites can improve the representativeness of the pan-Arctic network by 20 %, upgrading as few as 10 existing sites to capture methane fluxes or remain active during wintertime can improve their respective ER1 network coverage by 28 % to 33 %. This targeted network improvement could be shown to be clearly superior to an unguided selection of new sites, therefore leading to substantial improvements in network coverage based on relatively small investments.

54 ENVIRONMENTAL SCIENCES↗

Exploring for Martian Life

Terrestrial life appears to have arisen very quickly during late accretion, sometime between approximately 3.5 and 4.2 Ga. During this same time, liquid water appears to have been abundant at the surface of Mars and it is quite plausable that life originated there as well. We now believe that the last common ancestor of terrestrial life was a sulfur-metabolizing microbe that lived at high temperatures. Rooting of the RNA tree in thermophily probably reflects high temperature "bottle-necking" of the biosphere by giant impacts during late accretion, sometime after life had originated. If high temperature bottle-necking is a general property of early biosphere development, Martian life may have also developed in close association with hydrothermal systems. Several independent lines of evidence suggest that hydrothermal processes have played an important role during the geological history of Mars. Because hydrothermal deposits on Earth are known to capture and retain abundant microbial fossil information, they are considered prime targets in the search for an ancient Martian biosphere. An important step in planning for future landed missions to Mars is the selection of priority targets for high resolution orbital mapping. Geotectonic terranes on Mars that provide a present focus for ongoing site selection studies include channels located along the margins of impact crater melt sheets, or on the slopes of ancient Martian volcanoes, chaotic and fretted terranes where shallow subsurface heat sources are thought to have interacted with ground ice, and the floors of calderas and rifted basins. Orbital missions in 1996, 1998 and 2001 will provide opportunities for high resolution geological mapping at key sites in such terranes, as a basis for selecting targets for future landed missions for exopaleontology.

Farmer, Jack D.↗

Coronal Fine Structure in Dynamic Events Observed by Hi-C

The High-Resolution Coronal Imager (Hi-C) flew aboard a NASA sounding rocket on 2012 July 11 and captured roughly 345 s of high spatial and temporal resolution images of the solar corona in a narrowband 193 Angstrom channel. We have analyzed the fluctuations in intensity of Active Region 11520. We selected events based on a lifetime greater than 11 s (two Hi-C frames) and intensities greater than a threshold determined from the photon and readout noise. We compare the Hi-C events with those determined from AIA. We find that HI-C detects shorter and smaller events than AIA. We also find that the intensity increase in the Hi-C events is approx. 3 times greater than the intensity increase in the AIA events we conclude the events are related to linear sub-structure that is unresolved by AIA

Winebarger, Amy↗

Techno-Economic Analysis of Sorbent-Based Direct Air Capture Informed by EPC Input and Recent Technological Advancements

Direct air capture (DAC) technology has been developing at an accelerated rate. Independent, comprehensive, and transparent techno-economic analyses (TEAs) of DAC technologies are required to inform future development. NETL is publishing an update to the 2022 sorbent-based DAC case study report. This manuscript highlights select TEA results that will be presented in the upcoming NETL report. The analysis considers three sorbent-based DAC system configurations (direct steam temperature swing, indirect steam temperature swing, and direct steam temperature/vacuum swing) and two scenarios for providing the required electricity and steam (stand-alone system with a combined heat and power plant generating the required steam and electricity, and a purchased power case utilizing an electric boiler). Detailed sensitivity analyses are included and highlight the impact of external market factors, sorbent performance, and economies of scale. The potential for cost reductions by opting for temperature vacuum swing adsorption is highlighted. More detailed background and TEA results will be presented in the upcoming NETL report titled “Direct Air Capture Case Studies: Sorbent System (Revision 1)”.

carbon dioxide removal↗

Root phenotypes for improved nitrogen capture

Abstract Background Suboptimal nitrogen availability is a primary constraint for crop production in low-input agroecosystems, while nitrogen fertilization is a primary contributor to the energy, economic, and environmental costs of crop production in high-input agroecosystems. In this article we consider avenues to develop crops with improved nitrogen capture and reduced requirement for nitrogen fertilizer. Scope Intraspecific variation for an array of root phenotypes has been associated with improved nitrogen capture in cereal crops, including architectural phenotypes that colocalize root foraging with nitrogen availability in the soil; anatomical phenotypes that reduce the metabolic costs of soil exploration, improve penetration of hard soil, and exploit the rhizosphere; subcellular phenotypes that reduce the nitrogen requirement of plant tissue; molecular phenotypes exhibiting optimized nitrate uptake kinetics; and rhizosphere phenotypes that optimize associations with the rhizosphere microbiome. For each of these topics we provide examples of root phenotypes which merit attention as potential selection targets for crop improvement. Several cross-cutting issues are addressed including the importance of soil hydrology and impedance, phenotypic plasticity, integrated phenotypes, in silico modeling, and breeding strategies using high throughput phenotyping for co-optimization of multiple phenes. Conclusions Substantial phenotypic variation exists in crop germplasm for an array of root phenotypes that improve nitrogen capture. Although this topic merits greater research attention than it currently receives, we have adequate understanding and tools to develop crops with improved nitrogen capture. Root phenotypes are underutilized yet attractive breeding targets for the development of the nitrogen efficient crops urgently needed in global agriculture.

60 APPLIED LIFE SCIENCES↗

A Pressure-Swing Process for Reactive CO2 Capture and Conversion to Methanol through Precise Control of Co-Located Active Sites in Dual Functional Materials

The goals of this project are to design and develop tailored dual-functional materials (DFMs) and the accompanying pressure-swing process for the reactive capture and conversion (RCC) of CO 2 to methanol, a vital product in the chemical market and a versatile precursor to fuels. Throughout this project, NREL researcher team has successfully developed 2 groups of DFM and associated cyclic RCC procedure to selectivity produce either methanol or CO, which is a major intermediate for methanol synthesis with commercially available technologies.

01 COAL, LIGNITE, AND PEAT↗

Synthesis of Ionic Ultramicroporous Polymers for Selective Separation of Acetylene from Ethylene

The design of highly stable and efficient porous materials is essential for developing breakthrough hydrocarbon separation methods based on physisorption to replace currently used energy-intensive distillation/absorption technologies. Efforts to develop advanced porous materials such as zeolites, coordination frameworks, and organic polymers have met with limited success. Here, a new class of ionic ultramicroporous polymers (IUPs) with high-density inorganic anions and narrowly distributed ultramicroporosity is reported, which are synthesized by a facile free-radical polymerization using branched and amphiphilic ionic compounds as reactive monomers. A covalent and ionic dual-crosslinking strategy is proposed to manipulate the pore structure of amorphous polymers at the ultramicroporous scale. The IUPs exhibit exceptional selectivity (286.1–474.4) for separating acetylene from ethylene along with high thermal and water stability, collaboratively demonstrated by gas adsorption isotherms and experimental breakthrough curves. Modeling studies unveil the specific binding sites for acetylene capture as well as the interconnected ultramicroporosity for size sieving. Finally, the porosity-engineering protocol used in this work can also be extended to the design of other ultramicroporous materials for the challenging separation of other key gas constituents.

36 MATERIALS SCIENCE↗