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DOE OSTI2022

Outstanding questions on xylan biosynthesis

Xylan is the second most abundant polysaccharide in plant biomass. It is a crucial component of cell wall structure as well as a significant factor contributing to biomass recalcitrance. Xylan consists of a linear chain of β-1,4-linked xylosyl residues that are often substituted with glycosyl side chains, such as glucuronosyl/methylglucuronosyl and arabinofuranosyl residues, and acetylated at O-2 and/or O-3. Xylan from gymnosperms and dicots contains a unique reducing end tetrasaccharide sequence that is not detected in xylan from grasses, bryophytes and seedless vascular plants. Grass xylan is heavily decorated at O-3 with arabinofuranosyl residues that are frequently esterified with hydroxycinnamates. Further, genetic and biochemical studies have uncovered a number of genes involved in xylan backbone elongation and acetylation, xylan glycosyl substitutions and their modifications, and the synthesis of the unique xylan reducing end tetrasaccharide sequence, but some outstanding issues on the biosynthesis of xylan still remain unanswered. Here, we provide a brief overview of xylan structure and focus on discussion of the current understanding and open questions on xylan biosynthesis. Further elucidation of the biochemical mechanisms underlying xylan biosynthesis will not only shed new insights into cell wall biology but also provide molecular tools for genetic modification of biomass composition tailored for diverse end uses.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Identifying Anomalous DESI Galaxy Spectra with a Variational Autoencoder

The tens of millions of spectra being captured by the Dark Energy Spectroscopic Instrument (DESI) provide tremendous discovery potential. In this work we show how Machine Learning, in particular Variational Autoencoders (VAE), can detect anomalies in a sample of approximately 200,000 DESI spectra comprising galaxies, quasars and stars. We demonstrate that the VAE can compress the dimensionality of a spectrum by a factor of 100, while still retaining enough information to accurately reconstruct spectral features. We then detect anomalous spectra as those with high reconstruction error and those which are isolated in the VAE latent representation. The anomalies identified fall into two categories: spectra with artefacts and spectra with unique physical features. Awareness of the former can help to improve the DESI spectroscopic pipeline; whilst the latter can lead to the identification of new and unusual objects. To further curate the list of outliers, we use the Astronomaly package which employs Active Learning to provide personalised outlier recommendations for visual inspection. In this work we also explore the VAE latent space, finding that different object classes and subclasses are separated despite being unlabelled. We demonstrate the interpretability of this latent space by identifying tracks within it that correspond to various spectral characteristics. For example, we find tracks that correspond to increasing star formation and increase in broad emission lines along the Balmer series. In upcoming work we hope to apply the methods presented here to search for both systematics and astrophysically interesting objects in much larger datasets of DESI spectra.

Nicolaou, C. [University Coll. London] (ORCID:0000↗

NASA NTRS1986

Discrimination of lithologic units of the basis of botanical associations and Landsat TM spectral data in the Ridge and Valley province, Pennsylvania

Data collected on November 2, 1982 by the Landsat 4 Thematic Mapper (TM) over 72 forested sites in the Ridge and Valley province in Pennsylvania were compared with corresponding botanical and site variable field data. The analysis revealed that both the TM and the botanical data sets can be divided into four groups based on lithology and aspect. Lithology, which is clearly the dominant controlling factor in both sets of data, determines elevation and slope. The aspect (essentially north- and south-facing slope) determines the intensity of solar illumination which affects both the moisture available to the vegetation and the intensity of reflected radiance. Each of the four lithologic/aspect units support unique forest associations, clearly separable both on the basis of ground-based 1/10-acre forest association surveys and on the basis of their TM spectral signatures.

Price, C. V.↗

NASA NTRS1987

The impact damped harmonic oscillator in free decay

The impact-damped oscillator in free decay is studied by using time history solutions. A large range of oscillator amplitude is covered. The amount of damping is correlated with the behavior of the impacting mass. There are three behavior regimes: (1) a low amplitude range with less than one impact per cycle and very low damping, (2) a useful middle amplitude range with a finite number of impacts per cycle, and (3) a high amplitude range with an infinite number of impacts per cycle and progressively decreasing damping. For light damping the impact damping in the middle range is: (1) proportional to impactor mass, (2) additive to proportional damping, (3) a unique function of vibration amplitude, (4) proportional to 1-epsilon, where epsilon is the coefficient of restitution, and (5) very roughly inversely proportional to amplitude. The system exhibits jump phenomena and period doublings. An impactor with 2 percent of the oscillator's mass can produce a loss factor near 0.1.

Brown, G. V.↗

NASA NTRS1987

The impact damped harmonic oscillator in free decay

Brown, G. V.↗

NASA NTRS2013

A Lean, Fast Mars Round-trip Mission Architecture: Using Current Technologies for a Human Mission in the 2030s

We present a lean fast-transfer architecture concept for a first human mission to Mars that utilizes current technologies and two pivotal parameters: an end-to-end Mars mission duration of approximately one year, and a deep space habitat of approximately 50 metric tons. These parameters were formulated by a 2012 deep space habitat study conducted at the NASA Johnson Space Center (JSC) that focused on a subset of recognized high- engineering-risk factors that may otherwise limit space travel to destinations such as Mars or near-Earth asteroid (NEA)s. With these constraints, we model and promote Mars mission opportunities in the 2030s enabled by a combination of on-orbit staging, mission element pre-positioning, and unique round-trip trajectories identified by state-of-the-art astrodynamics algorithms.

Bailey, Lora↗

NASA NTRS2014

The CCSDS Next Generation Space Data Link Protocol (NGSLP)

The CCSDS space link protocols i.e., Telemetry (TM), Telecommand (TC), Advanced Orbiting Systems (AOS) were developed in the early growth period of the space program. They were designed to meet the needs of the early missions, be compatible with the available technology and focused on the specific link environments. Digital technology was in its infancy and spacecraft power and mass issues enforced severe constraints on flight implementations. Therefore the Telecommand protocol was designed around a simple Bose, Hocquenghem, Chaudhuri (BCH) code that provided little coding gain and limited error detection but was relatively simple to decode on board. The infusion of the concatenated Convolutional and Reed-Solomon codes5 for telemetry was a major milestone and transformed telemetry applications by providing them the ability to more efficiently utilize the telemetry link and its ability to deliver user data. The ability to significantly lower the error rates on the telemetry links enabled the use of packet telemetry and data compression. The infusion of the high performance codes for telemetry was enabled by the advent of digital processing, but it was limited to earth based systems supporting telemetry. The latest CCSDS space link protocol, Proximity-1 was developed in early 2000 to meet the needs of short-range, bi-directional, fixed or mobile radio links characterized by short time delays, moderate but not weak signals, and short independent sessions. Proximity-1 has been successfully deployed on both NASA and ESA missions at Mars and is planned to be utilized by all Mars missions in development. A new age has arisen, one that now provides the means to perform advanced digital processing in spacecraft systems enabling the use of improved transponders, digital correlators, and high performance forward error correcting codes for all communications links. Flight transponders utilizing digital technology have emerged and can efficiently provide the means to make the next leap in performance for space link communications. Field Programmable Gate Arrays (FPGAs) provide the capability to incorporate high performance forward error correcting codes implemented within software transponders providing improved performance in data transfer, ranging, link security, and time correlation. Given these synergistic technological breakthroughs, the time has come to take advantage of them in applying them to both on going (e.g., command, telemetry) and emerging (e.g., space link security, optical communication) space link applications. However one of the constraining factors within the Data Link Layer in realizing these performance gains is the lack of a generic transfer frame format and common supporting services amongst the existing CCSDS link layer protocols. Currently each of the four CCSDS link layer protocols (TM, TC, AOS, and Proximity-1) have unique formats and services which prohibits their reuse across the totality of all space link applications of CCSDS member space agencies. For example, Mars missions. These missions implement their proximity data link layer using the Proximity-1 frame format and the services it supports but is still required to support the direct from Earth (TC) protocols and the Direct To Earth (AOS/TM) protocols. The prime purpose of this paper, is to describe a new general purpose CCSDS Data Link layer protocol, the NGSLP that will provide the required services along with a common transfer frame format for all the CCSDS space links (ground to/from space and space to space links) targeted for emerging missions after a CCSDS agency-wide coordinated date. This paper will also describe related options that can be included for the Coding and Synchronization sub-layer of the Data Link layer to extend the capacities of the link and additionally provide an independence of the transfer frame sub-layer from the coding sublayer. This feature will provide missions the option of running either the currently performed synchronous coding and transfer frame data link or an asynchronous coding/frame data link, in which the transfer frame length is independent of the block size of the code. The benefits from the elimination of this constraint (frame synchronized to the code block) will simplify the interface between the transponder and the data handling equipment and reduce implementation costs and complexities. The benefits include: inclusion of encoders/decoders into transmitters and receivers without regard to data link protocols, providing the ability to insert latency sensitive messages into the link to support launch, landing/docking, telerobotics. and Variable Coded Modulation (VCM). In addition the ability to transfer different sized frames can provide a backup for delivering stored anomaly engineering data simultaneously with real time data, or relaying of frames from various sources onto a trunk line for delivery to Earth.

Kazz, Greg J.↗

DOE OSTI2021

Role of tunable polymer flexibility in controlling wetting behavior and thermal properties of poly(1,3-cyclohexadiene)-silica nanocomposites

We present how altering the chain flexibility affects the nanoscale organization of polymer-grafted nanoparticles (PGNPs) and its ultimate impact on macroscale thermal properties. To isolate the role of chain flexibility on wetting behavior in athermal polymer nanocomposites (PNC), the graft and matrix chemistry is kept identical by utilizing 1,3-cyclohexadiene-based polymer materials. Increasing the rigidity and molecular weight of both the graft and matrix is found to favor mixing of poly(1,3-cyclohexadiene) PCHD-grafted silica NPs with the matrix, supported by a concomitant increase in glass transition temperatures of the PNCs. Further, the associated entropic factors that drive wetting behavior and dispersion of PGNPs are discussed, emphasizing the dominant role-played by chain flexibility. Alterations in graft flexibility had the strongest impact on dispersion and Tg values of the PNC, while molecular weight (MW) plays a secondary role. This investigation is a unique demonstration of how chain flexibility alteration in athermal semiflexible systems can be used to alter NP organization by altering filler-matrix wettability which also impacts thermal properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

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↗

DOE OSTI2023

Deep decarbonization and U.S. biofuels production: a coordinated analysis with a detailed structural model and an integrated multisectoral model

Scenarios for deep decarbonization involve biomass for biofuels, biopower, and bioproducts, and they often include negative emissions via carbon capture and storage or utilization. However, critical questions remain about the feasibility of rapid growth to high levels of biomass utilization, given biomass and land availability as well as historical growth rates of the biofuel industry. We address these questions through a unique coordinated analysis and comparison of carbon pricing effects on biomass utilization growth in the United States using a multisectoral integrated assessment model, the Global Change Analysis Model (GCAM), and a biomass-to-biofuels system dynamics model, the Bioenergy Scenario Model (BSM). We harmonized and varied key factors—such as carbon prices, vehicle electrification, and arable land availability—in the two models. We varied the rate of biorefinery construction, the fungibility of feedstock types across conversion processes, and policy incentives in BSM. The rate of growth in biomass deployment under a carbon price in both models is within the range of current literature. However, the reallocation of land to biomass feedstocks would need to overcome bottlenecks to achieve growth consistent with deep decarbonization scenarios. Investments as a result of near-term policy incentives can develop technology and expand capacity—reducing costs, enabling flexibility in feedstock use, and improving stability—but if biomass demand is high, these investments might not overcome land reallocation bottlenecks. Biomass utilization for deep decarbonization relies on extraordinary growth in biomass availability and industrial capacity. In this paper, we quantify and describe the potential challenges of this rapid change.

09 BIOMASS FUELS↗

DOE OSTI2020

PINE: Photonic Integrated Networked Energy efficient datacenters

We review the motivation, goals, and achievements of the Photonic Integrated Networked Energy efficient datacenter (PINE) project, which is part of the Advanced Research Projects Agency–Energy (ARPA-E) ENergy-efficient Light-wave Integrated Technology Enabling Networks that Enhance Dataprocessing (ENLITENED) program. Here, the PINE program leverages the unique features of photonic technologies to enable alternative mega-datacenters and high-performance computing (HPC) system architectures that deliver more substantial energy efficiency improvements than can be achieved through link energy efficiency alone. In phase 1 of the program, the PINE system architecture demonstrated an average factor of 2.2× improvement in transactions/joule across a diverse set of HPC and datacenter applications. In phase 2, PINE will demonstrate an aggressive 1.0 pJ/bit total link budget with high-bandwidth-density dense wavelength-division multiplexing (DWDM) links to enable additional 2.5× or more efficiency gains through deep resource disaggregation.

42 ENGINEERING↗

NASA NTRS1994

FRANC2D: A two-dimensional crack propagation simulator. Version 2.7: User's guide

FRANC 2D (FRacture ANalysis Code, 2 Dimensions) is a menu driven, interactive finite element computer code that performs fracture mechanics analyses of 2-D structures. The code has an automatic mesh generator for triangular and quadrilateral elements. FRANC2D calculates the stress intensity factor using linear elastic fracture mechanics and evaluates crack extension using several methods that may be selected by the user. The code features a mesh refinement and adaptive mesh generation capability that is automatically developed according to the predicted crack extension direction and length. The code also has unique features that permit the analysis of layered structure with load transfer through simulated mechanical fasteners or bonded joints. The code was written for UNIX workstations with X-windows graphics and may be executed on the following computers: DEC DecStation 3000 and 5000 series, IBM RS/6000 series, Hewlitt-Packard 9000/700 series, SUN Sparc stations, and most Silicon Graphics models.

Wawrzynek, Paul↗

NASA NTRSDate not supplied

Cost and Throughput Analysis for the NASA Ames Arc Jet Modernization Program

NASA Ames Center is currently evaluating alternatives to modernize the Arc Jet Complex, a critical part of testing for NASA’s planetary missions. NASA’s Arc Jet Complex facilities “are used to simulate the aerothermodynamic heating that a spacecraft endures throughout hypersonic atmospheric entry, and to test candidate thermal protection system (TPS) materials and systems. “Because planetary mission schedules often have tight windows due to planetary alignment constraints, a small increase in schedule could result in a two-year delay. Such a delay could increase the cost of a $1billionmissionbyhundreds of millions of dollars due to project personnel pay and clean room storage. To avoid these costs, the authors support NASA Ames in evaluating return on investment (ROI) and effectiveness of alternatives for modernizing the complex. The first input into the ROI is the deconstruction and construction cost estimates, which are developed using independent research on highly specialized subsystems, vendor quotes, and Unified Facilities Criteria (UFC), depending on the facility and work package. One of the measures of effectiveness is throughput analysis of the test bays, as a main goal of the modernization is to increase the number of possible test runs per year. This analysis is conducted via a probabilistic simulation and accounts for a variety of stochastic factors that influence the sequence of test runs, such as the facility availability; test complexity; the need to pause to assess test results; test failure; and the possibility of a system failure. The methodologies for both these analyses are discussed, along with the challenges presented due to the unique nature of the highly specialized test equipment.

Jennifer Scheel↗

NASA NTRS2024

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗

NASA NTRSDate not supplied

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

The formation and migration of austenite-martensite interfaces plays the key role in reversible martensitic transformations of shape memory alloys (SMAs). How these interfaces interact with the SMA microstructure is a primary determining factor in important functional properties such as hysteresis and transformation span. As such, successful microstructural engineering of SMAs requires in-depth knowledge of interface behavior. The rapid nature of martensitic transformations makes experimental observations of moving austenite-martensite interfaces challenging. Molecular dynamics (MD) simulation is a unique tool which can probe the atomic-scale details of austenite-martensite interfaces as they migrate through different microstructures. However, in focusing on the entire transformation process, including the nucleation of new phases, MD studies are usually performed so far from equilibrium that their relevance to experiment is questionable. Here, we demonstrate new MD techniques to generate energetically preferred austenite-martensite interfaces in NiTi under near-equilibrium conditions. The interfaces are semi-coherent, exhibiting a series of structural disconnections, and they can migrate rapidly through single crystals under only small thermodynamic driving forces. In contrast, when interfaces migrate in polycrystals, their motion is impeded by thermoelastic effects as well as changes in orientation relationships at grain boundaries. Microstructures which accumulate large amounts of elastic energy tend to release some fraction through irreversible, hysteresis-inducing mechanisms. We demonstrate that engineering microstructures with less constraints is a viable strategy to produce SMAs with reduced hysteresis and transformation span. Similar thermoelastic and hysteresis-inducing mechanisms also arise when austenite-martensite interfaces encounter precipitates and can be controlled by tuning characteristics of the precipitate distribution.

Gabriel Plummer↗

NASA NTRSDate not supplied

Molecular Dynamics Simulations of Microstructural Effects on Austenite-Martensite Interfaces in NiTi

Gabriel Plummer↗

DOE OSTI2020

High-performance Generic Neutrino Detection in a LArTPC near the Earth's Surface with the MicroBooNE Detector

Large Liquid Argon Time Projection Chambers (LArTPCs) are being increasingly adopted in neutrino oscillation experiments because of their superb imaging capabilities through the combination of both tracking and calorimetry in a fully active volume. Active LArTPC neutrino detectors at or near the Earth's surface, such as the MicroBooNE experiment, present a unique analysis challenge because of the large flux of cosmic-ray muons and the slow drift of ionization electrons. We present a novel Wire-Cell-based high-performance generic neutrino-detection technique implemented in MicroBooNE. The cosmic-ray background is reduced by a factor of 1.4$\times10^{5}$ resulting in a 9.7% cosmic contamination in the selected neutrino candidate events, for visible energies greater than 200~MeV, while the neutrino signal efficiency is retained at 88.4% for $\nu_{\mu}$ charged-current interactions in the fiducial volume in the same energy region. This significantly improved performance compared to existing reconstruction algorithms, marks a major milestone toward reaching the scientific goals of LArTPC neutrino oscillation experiments operating near the Earth's surface.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Genomic factors limiting the diversity of Saccharomycotina plant pathogens

The Saccharomycotina fungi have evolved to inhabit a vast diversity of habitats over their 400-million-year evolution. There are, however, only a few known fungal pathogens of plants in this subphylum, primarily belonging to the genera Eremothecium and Geotrichum. We compared the genomes of 12 plant-pathogenic Saccharomycotina strains to 360 plant-associated strains to identify features unique to the phytopathogens. Characterization of the oxylipin synthesis genes, a compound believed to be involved in Eremothecium pathogenicity, did not reveal any differences in gene presence within or between the plant-pathogenic and plant-associated strains. A reverse-ecological approach, however, revealed that plant pathogens lack several metabolic enzymes known to assist other phytopathogens in overcoming plant defenses. This includes L-rhamnose metabolism, formamidase and nitrilase genes. This result suggests that the Saccharomycotina plant pathogens are limited to infecting ripening fruits as they are without the necessary enzymes to degrade common phytohormones and secondary metabolites produced by plants.

Saccharomycotina, fungi, phytopathogen, reverse ec↗