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DOE OSTI2025

Hemicellulose Modulates Nanoscale Lignin Architecture in Synthetic Plant Cell Walls

Cellulose, hemicellulose, and lignin─the most abundant biopolymers on Earth─compose the structural matrix of plant biomass, providing renewable resources critical to bioenergy and sustainable materials. Despite their importance, the nanoscale mechanochemical processes underlying lignocellulose assembly during plant secondary cell wall formation remain poorly understood, hindering advancements in biomass conversion technologies. Here, in this study, we synthesize a biomimetic model system comprising cellulose–hemicellulose nanofibrils (CHN) to examine guaiacyl lignin polymerization in a physiologically relevant context. Using advanced nanocharacterization─scattering-type scanning near-field optical microscopy (s-SNOM) with infrared nanospectroscopy coupled to solid-state nuclear magnetic resonance (NMR)─we reveal that hemicellulose presence considerably modulates lignin deposition and alters its interunit bond distribution. Specifically, hemicellulose-rich environments dramatically reduce lignin deposition by approximately 50% and yield highly condensed lignin structures characterized by severely reduced β–O–4′ linkages (<2%) and suppressed β–β′ linkages. Conversely, cellulose-alone scaffolds support notably higher β–O–4′ content (∼10%), resulting in a more uniform nanoscale lignin coating. Our work helps explain how accessible hemicellulose sites, both sterically and chemically, direct radical coupling during lignification, fundamentally reshaping lignin’s nanoscale architecture. These findings deepen our mechanistic understanding of plant cell wall biosynthesis and inform strategies aimed at enhancing biomass deconstruction efficiency for sustainable bioenergy applications.

NMR↗

DOE OSTI2022

YSL3-mediated copper distribution is required for fertility, seed size and protein accumulation in Brachypodium

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99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2017

Cargo Logistics for a Mars Base Using Solar Electric Propulsion

The current aim of NASA’s Journey to Mars is a stepwise approach towards landing humans on the Red Planet, culminating in a sustained presence. There are many recent studies on how this can be achieved in an evolvable and affordable manner. Most architectures begin with crewed missions to Phobos or Mars orbit in the mid-2030’s, progress toward short-stay missions on the surface, and then culminate with regular, long-stay missions at a permanent outpost in the 2040’s. A common factor of these architectures is that many robotic launches are required in order to support the crew by prepositioning mission elements and other needed supplies. In this paper, the use of 150 kW reusable Solar Electric Propulsion (SEP) tugs as a means to deliver elements both to orbit and the surface is studied. The SEP tugs make use of technology currently being developed for the proposed Asteroid Redirect Robotic Mission (ARRM). They would also be used to deliver food and supplies to sustain the crews similar to resupply missions for the International Space Station. These SEP tugs would cycle (with loitering) between staging orbits in cislunar space and Mars orbit.

Nicholas, Austin K.↗

DOE OSTI2021

Spontaneous rearrangement of acetylated xylan on hydrophilic cellulose surfaces

The interaction of xylan, an abundant plant polysaccharide, with cellulose microfibrils is essential for secondary cell wall strength. A deeper understanding of these interactions is crucial both to improve our understanding of plant cell wall architecture and to design alternate strategies to overcome cellulose recalcitrance for the production of biofuels and sustainable biomaterials. Naturally occurring acetate or glucuronic acid substitutions on xylan have been shown to influence xylan-cellulose interactions. In this work, we use unrestrained molecular dynamics simulations to determine the interactions with the (110) hydrophilic face of cellulose fibers of four different xylans. In the absence of cellulose, all xylans, independent of the substitution pattern, adopt a highly flexible threefold helical screw conformation. However, when xylan is spatially close to a cellulose surface 1,2 linked acetyl xylans (2AcX) adopt rigid twofold helical screw conformations. The 2AcX conformations are primarily stabilized by interactions between the acetylated oxygen and the glycosidic linkage with C-O6 of cellulose. In contrast, the glycosidic oxygens and acetyl decorations for 1,3 linked acetyl groups (3AcX) are oriented away from the cellulose surface and the 3AcX xylans maintain threefold helical screw conformations on the cellulose surface. Our results show that evenly spaced chemical functionalization (with acetyl groups) and the position of substitution (1,2) on xylan backbone play key roles in tuning the xylan-cellulose interactions to stabilize the twofold helical screw conformations of xylan on the cellulose surface. A comparison with previous experimental findings further suggests that 1,2 substitutions induce twofold helical screw conformations of xylan on the cellulose surface irrespective of the chemical nature of the substituent, while 1,3 substitutions primarily bind lignin in threefold helical screw conformations rather than cellulose in plant cell walls.

1,2 Ac↗

DOE OSTI2023

TAMM: Tensor algebra for many-body methods

Tensor algebra operations such as contractions in computational chemistry consume a significant fraction of the computing time on large-scale computing platforms. The widespread use of tensor contractions between large multi-dimensional tensors in describing electronic structure theory has motivated the development of multiple tensor algebra frameworks targeting heterogeneous computing platforms. In this paper, we present Tensor Algebra for Many-body Methods (TAMM), a framework for productive and performance-portable development of scalable computational chemistry methods. TAMM decouples the specification of the computation from the execution of these operations on available high-performance computing systems. With this design choice, the scientific application developers (domain scientists) can focus on the algorithmic requirements using the tensor algebra interface provided by TAMM, whereas high-performance computing developers can direct their attention to various optimizations on the underlying constructs, such as efficient data distribution, optimized scheduling algorithms, and efficient use of intra-node resources (e.g., graphics processing units). The modular structure of TAMM allows it to support different hardware architectures and incorporate new algorithmic advances. We describe the TAMM framework and our approach to the sustainable development of scalable ground- and excited-state electronic structure methods. We present case studies highlighting the ease of use, including the performance and productivity gains compared to other frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

NASA STI modernization plan

The NASA Scientific and Technical Information (STI) modernization plan is described as a phased approach to a shared network environment. The plan is based on end user needs articulated in continuing user studies in addition to technical requirements. The modernization phases are outlined in a chronology covering the 1993-1997 time frame. Various challenges and constraints are discussed. Emphasis is placed on sustaining user involvement and meeting user needs in measurable ways as the development of the system architecture proceeds.

Kaye, Karen↗

NASA NTRS2012

NASA's Space Launch System: A Flagship for Exploration Beyond Earth's Orbit

The National Aeronautics and Space Administration s (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center, is making progress toward delivering a new capability for exploration beyond Earth orbit in an austere economic climate. This fact drives the SLS team to find innovative solutions to the challenges of designing, developing, fielding, and operating the largest rocket in history. To arrive at the current SLS plan, government and industry experts carefully analyzed hundreds of architecture options and arrived at the one clear solution to stringent requirements for safety, affordability, and sustainability over the decades that the rocket will be in operation. This paper will explore ways to fit this major development within the funding guidelines by using existing engine assets and hardware now in testing to meet a first launch by 2017. It will explain the SLS Program s long-range plan to keep the budget within bounds, yet evolve the 70 metric ton (t) initial lift capability to 130-t lift capability after the first two flights. To achieve the evolved configuration, advanced technologies must offer appropriate return on investment to be selected through a competitive process. For context, the SLS will be larger than the Saturn V that took 12 men on 6 trips for a total of 11 days on the lunar surface over 4 decades ago. Astronauts train for long-duration voyages on the International Space Station, but have not had transportation to go beyond Earth orbit in modern times, until now. NASA is refining its mission manifest, guided by U.S. Space Policy and the Global Exploration Roadmap. Launching the Orion Multi-Purpose Cargo Vehicle s first autonomous certification flight in 2017, followed by a crewed flight in 2021, the SLS will offer a robust way to transport international crews and the air, water, food, and equipment they need for extended trips to asteroids, Lagrange Points, and Mars. In addition, the SLS will accommodate high-priority science experiments. SLS affordability initiatives include streamlining interfaces, applying risk-based insight into contracted work, centralizing systems engineering and integration, and nurturing a learning culture that continually benchmarks its performance against successful ventures. As this paper will explain, the SLS is making measurable progress toward becoming a global infrastructure asset for robotic and human scouts of all nations by harnessing business and technological innovations to deliver sustainable solutions for space exploration.

May, Todd↗

NASA NTRS2012

NASA's Space Launch System: A Flagship for Exploration Beyond Earth's Orbit

The National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center, is making progress toward delivering a new capability for exploration beyond Earth orbit in an austere economic climate. This fact drives the SLS team to find innovative solutions to the challenges of designing, developing, fielding, and operating the largest rocket in history. To arrive at the current SLS plan, government and industry experts carefully analyzed hundreds of architecture options and arrived at the one clear solution to stringent requirements for safety, affordability, and sustainability over the decades that the rocket will be in operation. This paper will explore ways to fit this major development within the funding guidelines by using existing engine assets and hardware now in testing to meet a first launch by 2017. It will explain the SLS Program s long-range plan to keep the budget within bounds, yet evolve the 70 metric ton (t) initial lift capability to 130-t lift capability after the first two flights. To achieve the evolved configuration, advanced technologies must offer appropriate return on investment to be selected through a competitive process. For context, the SLS will be larger than the Saturn V that took 12 men on 6 trips for a total of 11 days on the lunar surface over 4 decades ago. Astronauts train for long-duration voyages on the International Space Station, but have not had transportation to go beyond Earth orbit in modern times, until now. NASA is refining its mission manifest, guided by U.S. Space Policy and the Global Exploration Roadmap. Launching the Orion Multi-Purpose Crew Vehicle s (MPCV s) first autonomous certification flight in 2017, followed by a crewed flight in 2021, the SLS will offer a robust way to transport international crews and the air, water, food, and equipment they need for extended trips to asteroids, Lagrange Points, and Mars. In addition, the SLS will accommodate high-priority science experiments. SLS affordability initiatives include streamlining interfaces, applying risk-based insight into contracted work, centralizing systems engineering and integration, and nurturing a learning culture that continually benchmarks its performance against successful ventures. As this paper will explain, the SLS is making measurable progress toward becoming a global infrastructure asset for robotic and human scouts of all nations by harnessing business and technological innovations to deliver sustainable solutions for space exploration.

May, Todd A.↗

NASA NTRSDate not supplied

Thermal Analysis of NRHO Entry Lunar Flyby Maneuver

NASA’s Gateway will serve as a platform for sustained human lunar exploration and an opportunity to gain experience with long duration deep-space architectures. The first two Gateway modules, the Power and Propulsion Element (PPE) and the Habitation and Logistics Outpost (HALO) are scheduled to launch together as a Co-Manifested Vehicle (CMV) in 2024. To reach the destination Near-Rectilinear Halo Orbit (NRHO), the CMV will perform a low-thrust electric propulsion spiral and a final transfer maneuver that will include a low altitude flyby of the lunar surface. This flyby thermal environment is more adverse than that expected during the NRHO itself and risks temperature exceedances on various spacecraft components. The highly transient nature of the flyby also required a different approach than the typical worst-case dissipation margins used to size the spacecraft thermal control systems. This paper presents analyses on the relative severity of different minimum perilune altitudes and results of an integrated CMV thermal model built in Thermal Desktop.

lunar flyby maneuver↗

NASA NTRS2006

Lunar Relay Satellite Network for Space Exploration: Architecture, Technologies and Challenges

NASA is planning a series of short and long duration human and robotic missions to explore the Moon and then Mars. A key objective of these missions is to grow, through a series of launches, a system of systems infrastructure with the capability for safe and sustainable autonomous operations at minimum cost while maximizing the exploration capabilities and science return. An incremental implementation process will enable a buildup of the communication, navigation, networking, computing, and informatics architectures to support human exploration missions in the vicinities and on the surfaces of the Moon and Mars. These architectures will support all space and surface nodes, including other orbiters, lander vehicles, humans in spacesuits, robots, rovers, human habitats, and pressurized vehicles. This paper describes the integration of an innovative MAC and networking technology with an equally innovative position-dependent, data routing, network technology. The MAC technology provides the relay spacecraft with the capability to autonomously discover neighbor spacecraft and surface nodes, establish variable-rate links and communicate simultaneously with multiple in-space and surface clients at varying and rapidly changing distances while making optimum use of the available power. The networking technology uses attitude sensors, a time synchronization protocol and occasional orbit-corrections to maintain awareness of its instantaneous position and attitude in space as well as the orbital or surface location of its communication clients. A position-dependent data routing capability is used in the communication relay satellites to handle the movement of data among any of multiple clients (including Earth) that may be simultaneously in view; and if not in view, the relay will temporarily store the data from a client source and download it when the destination client comes into view. The integration of the MAC and data routing networking technologies would enable a relay satellite system to provide end-to-end communication services for robotic and human missions in the vicinity, or on the surface of the Moon with a minimum of Earth-based operational support.

Bhasin, Kul B.↗

DOE OSTI2022

Novel Mutant Alleles Reveal a Role of the Extra-Large G Protein in Rice Grain Filling, Panicle Architecture, Plant Growth, and Disease Resistance

Plant growth and grain filling are the key agronomical traits for grain weight and yield of rice. The continuous improvement in rice yield is required for a future sustainable global economy and food security. The heterotrimeric G protein complex containing a canonical α subunit (RGA1) couples extracellular signals perceived by receptors to modulate cell function including plant development and grain weight. We hypothesized that, besides RGA1, three atypical, extra-large GTP-binding protein (XLG) subunits also regulate panicle architecture, plant growth, development, grain weight, and disease resistance. Here, we identified a role of XLGs in agronomic traits and stress tolerance by genetically ablating all three rice XLGs individually and in combination using the CRISPR/Cas9 genome editing in rice. For this study, eight (three single, two double, and three triple) null mutants were selected. Three XLG proteins combinatorically regulate seed filling, because loss confers a decrease in grain weight from 14% with loss of one XLG and loss of three to 32% decrease in grain weight. Null mutations in XLG2 and XLG4 increase grain size. The mutants showed significantly reduced panicle length and number per plant including lesser number of grains per panicle compared to the controls. Loss-of-function of all individual XLGs contributed to 9% more aerial biomass compared to wild type (WT). The double mutant showed improved salinity tolerance. Moreover, loss of the XLG gene family confers hypersensitivity to pathogens. Our findings suggest that the non-canonical XLGs play important roles in regulating rice plant growth, grain filling, panicle phenotype, stress tolerance, and disease resistance. Genetic manipulation of XLG s has the potential to improve agronomic properties in rice.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2016

The NOAA Satellite Observing System Architecture Study

NOAA is beginning a study, the NOAA Satellite Observing System Architecture (NSOSA) study, to plan for the future operational environmental satellite system that will follow GOES and JPSS, beginning about 2030. This is an opportunity to design a modern architecture with no pre-conceived notions regarding instruments, platforms, orbits, etc. The NSOSA study will develop and evaluate architecture alternatives to include partner and commercial alternatives that are likely to become available. The objectives will include both functional needs and strategic characteristics (e.g., flexibility, responsiveness, sustainability). Part of this study is the Space Platform Requirements Working Group (SPRWG), which is being commissioned by NESDIS. The SPRWG is charged to assess new or existing user needs and to provide relative priorities for observational needs in the context of the future architecture. SPRWG results will serve as input to the process for new foundational (Level 0 and Level 1) requirements for the next generation of NOAA satellites that follow the GOES-R, JPSS, DSCOVR, Jason-3, and COSMIC-2 missions.

Value Model↗

DOE OSTI2026

A solid-state extrusion pathway extensible to upcycling aluminum scrap and end-of-life permanent magnets into ductile Al-6061/SmCo 5 structural magnetic composites

Permanent magnets offer strong potential for multifunctional structural components, but their inherent brittleness limits direct integration. Here, SolidStir® Extrusion (SSE) is used to embed SmCo5 powder into AA6061 in the solid state, and the resulting microstructure, interfacial chemistry, mechanical properties, and magnetic response are systematically characterized. SSE fragments the initial SmCo 5 powder into predominantly fine particles dispersed within an ultrafine Al matrix, with a volume fraction of ∼ 4–6 % in this proof-of-concept study. Interfacial reactions form a continuous Al–Co reaction layer, with local atomic-resolution indexing consistent with Al 13 Co 4 , together with Sm–Si-rich reaction products, while the matrix contains Sm–Co–Si-rich precipitates and Mg 2 Si, producing features from nanometers to micrometers. Compared with an Al extrudate, this architecture increases yield strength by ∼ 42 % and tensile strength by ∼ 31 %, while preserving uniform elongation, and it sustains work hardening in compression from 150 to 400 °C. The composite retained hard-magnetic behavior, with axial magnetization of 12.7 A·m 2 kg −1 at 6 T and intrinsic coercivity of 9.6 kOe. These findings demonstrate that SSE can produce Al-based load-bearing magnetic composites while preserving useful SmCo5 functionality.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Coupling of the Electricity and Transportation Sectors - Part II: Risk Assessment

This comprehensive report explores the intricate interplay through “sector coupling” between the Transportation Sector, Energy Sector, and the critical infrastructure challenges faced by the United States. Aligned with the ambitious federal goal of reducing greenhouse gas emissions, the report analyzes the present vulnerabilities in the fossil fuel supply chain, highlighting instances where the dependence on this industry has been susceptible to local and global disruptions. With a focus on risk assessment, this report establishes a framework to compare the fossil fuel-based transportation sector with the burgeoning electrified sector, considering the evolving technologies in electric vehicles (EVs) and the nascent charging infrastructure. This study delves into the historical reliability of fossil fuel-based transportation and identifies opportunities for strengthening sector coupling between transportation and the electric sector. Assessments of the gasoline-diesel supply chain provide insights into both opportunities and threats, offering a roadmap for creating a more reliable and resilient electrified transportation system. We modeled sectoral coupling scenarios for the current internal combustion engine (ICE)-based and future EV-dominant landscapes, leveraging qualitative sector attributes to identify relative strengths and weaknesses in Part 1 of the report. In this report (Part 2) we continue to understand the role of the electricity sector on transportation and develop a semi-quantitative methodology is employed to evaluate and compare the risks associated with the fossil fueled and electric transportation sector during emergency scenarios, drawing from real-world events like hurricanes and geopolitical disruptions. Different operational scenarios for the fossil fuel and electrified sectors have been developed to understand the risks associated with them. This report concludes with recommendations for the architectural designs of electric charging infrastructure, underlining the need for informed decisions in the transition towards a sustainable and resilient transportation future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2009

In Situ Resource Utilization (ISRU) on the Moon: Moessbauer Spectroscopy as a Process Monitor for Oxygen Production

Essential consumables like oxygen must to be produced from materials on the lunar surface to enable a sustained, long-term presence of humans on the Moon. The Outpost Precursor for ISRU and Modular Architecture (OPTIMA) field test on Mauna Kea, Hawaii, facilitated by the Pacific International Space Center for Exploration Systems (PISCES) of the University of Hawaii at Hilo, was designed to test the implementation of three hardware concepts to extract oxygen from the lunar regolith: Precursor ISRU Lunar Oxygen Testbed (PILOT) developed by Lockheed Martin in Littleton, CO; Regolith & Environmental Science and Oxygen & Lunar Volatiles Extraction (RESOLVE) developed at the NASA Kennedy Space Center in Cape Canaveral, FL; and ROxygen developed at the NASA Johnson Space Center in Houston, TX. The three concepts differ in design, but all rely on the same general principle: hydrogen reduction of metal cations (primarily Fe2+) bonded to oxygen to metal (e.g., Fe0) with the production of water. The hydrogen source is residual hydrogen in the fuel tanks of lunar landers. Electrolysis of the water produces oxygen and hydrogen (which is recycled). We used the miniaturized M ssbauer spectrometer MIMOS II to quantify the yield of this process on the basis of the quantity of Fe0 produced. Iron M ssbauer spectroscopy identifies iron-bearing phases, determines iron oxidation states, and quantifies the distribution of iron between mineral phases and oxidation states. The oxygen yield can be calculated by quantitative measurements of the distribution of Fe among oxidation states in the regolith before and after hydrogen reduction. A M ssbauer spectrometer can also be used as a prospecting tool to select the optimum feedstock for the oxygen production plants (e.g., high total Fe content and easily reduced phases). As a demonstration, a MIMOS II backscatter spectrometer (SPESI, Germany) was mounted on the Cratos rover (NASA Glenn Research Center in Cleveland, OH), which is one of several rover concepts designed to excavate and transfer regolith to the stationary hydrogen reduction plants. Spaceflight versions of the MIMOS II are part of the instrument payloads of NASA s Mars Exploration Rovers and still operating five years after landing on the surface of the planet. MIMOS II was also selected for Phobos-Grunt, a Russian sample return mission to the martian moon Phobos scheduled to launch in 2009, and ESA s ExoMars rover, an exobiology mission scheduled to launch in 2013. An advanced version of the instrument is currently under development. A new detector system with a higher energy resolution will not only reduce the necessary measurement time considerably, but also allow the simultaneous acquisition of an X-ray fluorescence spectrum to determine the elemental composition of samples.

Morris, R.V.↗

NASA NTRSDate not supplied

Data & Reasoning Fabric: Minimum Viable Product

A Data & Reasoning Fabric (DRF) is envisioned to enable the full potential of advanced air mobility by providing all data and reasoning where they are needed. The DRF provides a marketplace based on an open foundational ecosystem of data and reasoning exchange between the many systems that must seamlessly interplay to manage the complex and dense airspace operations required to achieve advanced air mobility goals. DRF activities will identify, test and - as needed - research and develop critical core technologies. In order to deliver reference designs and development environments that catalyze broad private and public sector buy-in and self-sustaining development of DRF and associated standards, DRF activities will collaboratively test these technologies, open standards and architectures, and an integrated framework with end users.

UAM↗

NASA NTRSDate not supplied

Data & Reasoning Fabric Minimum Viable Product

DRF↗

NASA NTRSDate not supplied

Data & Reasoning Fabric Minimum Viable Product

A Data & Reasoning Fabric (DRF) is envisioned to enable the full potential of air mobility by providing all data and reasoning where they are needed. The DRF provides a marketplace based on an open foundational ecosystem of data and reasoning exchange between the many systems that must seamlessly interplay to manage the complex and dense airspace operations required to achieve advanced air mobility goals. The DRF marketplace is decentralized and will not be owned by any single party. To deliver reference designs and development environments that catalyze broad private and public sector buy-in and self-sustaining development of DRF and associated standards, DRF activities will collaboratively test these technologies, open standards and architectures, and an integrated framework with end-users. The DRF activity is developing a Minimum Viable Product (MVP) called the DRF Accelerator which will enable the rapid deployment of candidate data and reasoning services to test and evaluate the DRF core system functionality. The DRF Project is engaging with government and industry end-users and stakeholders, to: (1) assess the technical feasibility of the DRF Accelerator; (2) assess the likelihood of adoption, through shared test and evaluation; and (3) identify what data and services can be shared across DRF.

DRF↗