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At least 541 records · Page 30

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Ensuring planetary survival: the centrality of organic carbon in balancing the multifunctional nature of soils

Not only do soils provide 98.7% of the calories consumed by humans, they also provide numerous other functions upon which planetary survivability closely depends. However, our continuously increasing focus on soils for biomass provision (food, fiber, and energy) through intensive agriculture is rapidly degrading soils and diminishing their capacity to deliver other vital functions. These tradeoffs in soil functionality – the increased provision of one function at the expense of other critical planetary functions – are the focus of this review. Here, we examine how land-use change for biomass provision has decreased the ability of soils to regulate the carbon pool and thereby contribute profoundly to climate change, to cycle the nutrients that sustain plant growth and ecosystem health, to protect the soil biodiversity upon which many other functions depend, and to cycle the Earth’s freshwater supplies. We also examine how this decreasing ability of soil to provide these other functions can be halted and reversed. Despite the complexity and the interconnectedness of soil functions, we show that soil organic carbon plays a central role and is a master indicator for soil functioning and that we require a better understanding of the factors controlling the behavior and persistence of C in soils. Given the threats facing humanity and their economies, it is imperative that we recognize that Soil Security is itself an existential challenge and that we need to increase our focus on the multiple functions of soils for long-term human welfare and survivability of the planet.

Carboncarbon sequestration↗

DOE OSTI2024

Distinct function of Chlamydomonas CTRA-CTR transporters in Cu assimilation and intracellular mobilization

Abstract Successful acclimation to copper (Cu) deficiency involves a fine balance between Cu import and export. In the green alga Chlamydomonas reinhardtii, Cu import is dependent on a transcription factor, Copper Response Regulator 1 (CRR1), responsible for activating genes in Cu-deficient cells. Among CRR1 target genes are two Cu transporters belonging to the CTR/COPT gene family (CTR1 and CTR2) and a related soluble protein (CTR3). The ancestor of these green algal proteins was likely acquired from an ancient chytrid and contained conserved cysteine-rich domains (named the CTR-associated domains, CTRA) that are predicted to be involved in Cu acquisition. We show by reverse genetics that Chlamydomonas CTR1 and CTR2 are canonical Cu importers albeit with distinct affinities, while loss of CTR3 did not result in an observable phenotype under the conditions tested. Mutation of CTR1, but not CTR2, recapitulates the poor growth of crr1 in Cu-deficient medium, consistent with a dominant role for CTR1 in high-affinity Cu(I) uptake. On the other hand, the overaccumulation of Cu(I) (20 times the quota) in zinc (Zn) deficiency depends on CRR1 and both CTR1 and CTR2. CRR1-dependent activation of CTR gene expression needed for Cu over-accumulation can be bypassed by the provision of excess Cu in the growth medium. Over-accumulated Cu is sequestered into the acidocalcisome but can become remobilized by restoring Zn nutrition. This mobilization is also CRR1-dependent, and requires activation of CTR2 expression, again distinguishing CTR2 from CTR1 and consistent with the lower substrate affinity of CTR2. One sentence summary Regulation of Cu uptake and sequestration by members of the CTR family of proteins in Chlamydomonas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Profiling the BLAST bioinformatics application for load balancing on high-performance computing clusters

Abstract Background The Basic Local Alignment Search Tool (BLAST) is a suite of commonly used algorithms for identifying matches between biological sequences. The user supplies a database file and query file of sequences for BLAST to find identical sequences between the two. The typical millions of database and query sequences make BLAST computationally challenging but also well suited for parallelization on high-performance computing clusters. The efficacy of parallelization depends on the data partitioning, where the optimal data partitioning relies on an accurate performance model. In previous studies, a BLAST job was sped up by 27 times by partitioning the database and query among thousands of processor nodes. However, the optimality of the partitioning method was not studied. Unlike BLAST performance models proposed in the literature that usually have problem size and hardware configuration as the only variables, the execution time of a BLAST job is a function of database size, query size, and hardware capability. In this work, the nucleotide BLAST application BLASTN was profiled using three methods: shell-level profiling with the Unix “time” command, code-level profiling with the built-in “profiler” module, and system-level profiling with the Unix “gprof” program. The runtimes were measured for six node types, using six different database files and 15 query files, on a heterogeneous HPC cluster with 500+ nodes. The empirical measurement data were fitted with quadratic functions to develop performance models that were used to guide the data parallelization for BLASTN jobs. Results Profiling results showed that BLASTN contains more than 34,500 different functions, but a single function, RunMTBySplitDB, takes 99.12% of the total runtime. Among its 53 child functions, five core functions were identified to make up 92.12% of the overall BLASTN runtime. Based on the performance models, static load balancing algorithms can be applied to the BLASTN input data to minimize the runtime of the longest job on an HPC cluster. Four test cases being run on homogeneous and heterogeneous clusters were tested. Experiment results showed that the runtime can be reduced by 81% on a homogeneous cluster and by 20% on a heterogeneous cluster by re-distributing the workload. Discussion Optimal data partitioning can improve BLASTN’s overall runtime 5.4-fold in comparison with dividing the database and query into the same number of fragments. The proposed methodology can be used in the other applications in the BLAST+ suite or any other application as long as source code is available.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2013

Arctic Tundra Vegetation Functional Types Based on Photosynthetic Physiology and Optical Properties

Huemmrich, Karl F.↗

NASA NTRS2013

Arctic Tundra Vegetation Functional Types Based on Photosynthetic Physiology and Optical Properties

Non-vascular plants (lichens and mosses) are significant components of tundra landscapes and may respond to climate change differently from vascular plants affecting ecosystem carbon balance. Remote sensing provides critical tools for monitoring plant cover types, as optical signals provide a way to scale from plot measurements to regional estimates of biophysical properties, for which spatial-temporal patterns may be analyzed. Gas exchange measurements were collected for pure patches of key vegetation functional types (lichens, mosses, and vascular plants) in sedge tundra at Barrow, AK. These functional types were found to have three significantly different values of light use efficiency (LUE) with values of 0.013 plus or minus 0.0002, 0.0018 plus or minus 0.0002, and 0.0012 plus or minus 0.0001 mol C mol (exp -1) absorbed quanta for vascular plants, mosses and lichens, respectively. Discriminant analysis of the spectra reflectance of these patches identified five spectral bands that separated each of these vegetation functional types as well as nongreen material (bare soil, standing water, and dead leaves). These results were tested along a 100 m transect where midsummer spectral reflectance and vegetation coverage were measured at one meter intervals. Along the transect, area-averaged canopy LUE estimated from coverage fractions of the three functional types varied widely, even over short distances. The patch-level statistical discriminant functions applied to in situ hyperspectral reflectance data collected along the transect successfully unmixed cover fractions of the vegetation functional types. The unmixing functions, developed from the transect data, were applied to 30 m spatial resolution Earth Observing-1 Hyperion imaging spectrometer data to examine variability in distribution of the vegetation functional types for an area near Barrow, AK. Spatial variability of LUE was derived from the observed functional type distributions. Across this landscape, a fivefold variation in tundra LUE was observed. LUE calculated from the functional type cover fractions was also correlated to a spectral vegetation index developed to detect vegetation chlorophyll content. The concurrence of these alternate methods suggest that hyperspectral remote sensing can distinguish functionally distinct vegetation types and can be used to develop regional estimates of photosynthetic LUE in tundra landscapes.

VEGETATION↗

DOE OSTI2024

Multi-functional Sorbent Technology (MUST) for the Recovery/Removal of Critical/Heavy Metals from Fossil-Related Wastewater

A collection of remediation and recovery technologies like those predicated on photocatalytic-, electric-, chemical-, membrane-, and adsorptive-based processes currently exists in different stages of development or deployment between these methods of water management. Among these technologies, solid sorbent processes embody an optimal balance between cost-effectiveness, environmental friendliness, and technological maturity. The U.S. Department of Energy’s National Energy Technology Laboratory developed a suit of cross-linked, functionalized silica sorbents tailored to eliminate the most toxic metals regulated by the U.S. Environmental Protection Agency (EPA); critical metals identified by the U.S. Geological Survey (USGS); and harmful organics like the infamous perfluoroalkyl and polyfluoroalkyl substances (PFAS). An array of laboratory and field tests proved that the MUST sorbents removed ppb-level lead from drinking water, selenium from FGD wastewater below EPA limits, aqueous dyes and PFAS; and fractionated low ppm-level critical metals (CM) from AMD and simulated produced water. Proof-of-concept for commercial CM recovery was verified through obtaining milligram-quantities of purified Al solids from a sorbent multi-bed AMD field-site test. Commercial efficacy was further supported by achieving purified fractions of adsorbed Mn upon treating both the AMD and synthetic produced water with the laboratory multi-bed test unit.

Wilfong, Walter C.↗

NASA NTRS1996

Understanding gas-surface interactions from direct force measurements using a specialized torsion balance

The first comprehensive measurements of the magnitude and direction of the forces exerted on surfaces by molecular beams are discussed and used to obtain information about the microscopic properties of the gas-surface interactions. This unique approach is not based on microscopic measurements of the scattered molecules. The reduced force coefficients are introduced as a new set of parameters that completely describe the macroscopic average momentum transfer to a surface by an incident molecular beam. By using a specialized torsion balance and molecular beams of N2, CO, CO2, and H2, the reduced force coefficients are determined from direct measurements of the force components exerted on surface of a solar panel array material, Kapton, SiO2-coated Kapton, and Z-93 as a function of the angle of incidence ranging from 0 degrees to 85 degrees. The absolute flux densities of the molecular beams were measured using a different torsion balance with a beam-stop that nullified the force of the scattered molecules. Standard time-of-flight techniques were used to determine the flux-weighted average velocities of the various molecular beams ranging from 1600 m/s to 4600 m/s. The reduced force coefficients can be used to directly obtain macroscopic average properties of the scattered molecules, such as the flux-weighted average velocity and translational energy, that can then be used to determine microscopic details concerning gas-surface interactions without the complications associated with averaging microscopic measurements.

Measuring Methods↗

DOE OSTI2025

Autonomous Synthesis and Inverse Design of Electrochromic Polymers with High Efficiency and Accuracy

Here, the design and synthesis of functional polymers, aimed at targeted properties through specific structures, have long been challenged by their complex and often nonlinear structure–property relationships. Key processes, including knowledge accumulation for predictive design and experimental refinement and validation, are traditionally labor-insensitive and time-consuming, making it difficult to balance accuracy and efficiency. Here, we introduce an accelerated, autonomous system for the on-demand synthesis of electronic polymers that achieves the desired electrochromic functionality with high accuracy and efficiency. Our approach leverages large language model-assisted data mining, a physics-informed copolymer machine learning model, and an AI-driven autonomous robotic workflow in the Polybot lab. Within 72 h, Polybot autonomously synthesized electrochromic polymers (ECPs) with targeted, previously-unreported color values, including green polymers with specific absorption profiles, precisely fine-tuning copolymer structures with a 5% step size in comonomer composition within a three-monomer system. A publicly accessible ECP informatics database has also been created to foster knowledge exchange.

AI-driven Robotic Lab↗

DOE OSTI2023

Utility Microgrid Controller Test Plan

The functional requirements of many microgrid controllers (MGCs) are expanding and evolving to meet growing utility and community needs. At a high level, the utility microgrid controller serves resilience and reliability use cases by coordinating transitions between grid-connected and islanded states and by managing the system during island operations. This includes control scenarios that require the microgrid controller to use flexible microgrid boundaries, maintain energy balance, coordinate with peer systems, and manage grid-forming (GFM) and grid-following (GFL) DER. In order to evaluate these functional enhancements, microgrid controller test plans must also be developed to ensure that the implemented controllers provide adequate performance. This report provides MGC test plans for both island operation and transition functions. The functions covered in this first edition report include feeder level energy management, island constraint management, secondary voltage and frequency control, black start, and synchronized reconnection. These test cases can be applied to utility-managed microgrid controllers that exclusively manage utility-owned equipment; the tests also apply to third-party managed microgrid controllers that coordinate with utility- and customer-owned equipment. The report can also be used by technology developers and project developers in industry to evaluate control strategies and performance characteristics for community microgrid controllers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2011

ISS Regenerative Life Support: Challenges and Success in the Quest for Long-Term Habitability in Space

This presentation will discuss the International Space Station s (ISS) Regenerative Environmental Control and Life Support System (ECLSS) operations with discussion of the on-orbit lessons learned, specifically regarding the challenges that have been faced as the system has expanded with a growing ISS crew. Over the 10 year history of the ISS, there have been numerous challenges, failures, and triumphs in the quest to keep the crew alive and comfortable. Successful operation of the ECLSS not only requires maintenance of the hardware, but also management of the station resources in case of hardware failure or missed re-supply. This involves effective communication between the primary International Partners (NASA and Roskosmos) and the secondary partners (JAXA and ESA) in order to keep a reserve of the contingency consumables and allow for re-supply of failed hardware. The ISS ECLSS utilizes consumables storage for contingency usage as well as longer-term regenerative systems, which allow for conservation of the expensive resources brought up by re-supply vehicles. This long-term hardware, and the interactions with software, was a challenge for Systems Engineers when they were designed and require multiple operational workarounds in order to function continuously. On a day-to-day basis, the ECLSS provides big challenges to the on console controllers. Main challenges involve the utilization of the resources that have been brought up by the visiting vehicles prior to undocking, balance of contributions between the International Partners for both systems and resources, and maintaining balance between the many interdependent systems, which includes providing the resources they need when they need it. The current biggest challenge for ECLSS is the Regenerative ECLSS system, which continuously recycles urine and condensate water into drinking water and oxygen. These systems were brought to full functionality on STS-126 (ULF-2) mission. Through system failures and recovery, the ECLSS console has learned how to balance the water within the systems, store and use water for contingencies, and continue to work with the International Partners for short-term failures. Through these challenges and the system failures, the most important lesson learned has been the importance of redundancy and operational workarounds. It is only because of the flexibility of the hardware and the software that flight controllers have the opportunity to continue operating the system as a whole for mission success.

Bazley, Jesse A.↗

DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗

NASA NTRS2011

Locomotor Adaptation Improves Balance Control, Multitasking Ability and Reduces the Metabolic Cost of Postural Instability

During exploration-class missions, sensorimotor disturbances may lead to disruption in the ability to ambulate and perform functional tasks during the initial introduction to a novel gravitational environment following a landing on a planetary surface. The overall goal of our current project is to develop a sensorimotor adaptability training program to facilitate rapid adaptation to these environments. We have developed a unique training system comprised of a treadmill placed on a motion-base facing a virtual visual scene. It provides an unstable walking surface combined with incongruent visual flow designed to enhance sensorimotor adaptability. Greater metabolic cost incurred during balance instability means more physical work is required during adaptation to new environments possibly affecting crewmembers? ability to perform mission critical tasks during early surface operations on planetary expeditions. The goal of this study was to characterize adaptation to a discordant sensory challenge across a number of performance modalities including locomotor stability, multi-tasking ability and metabolic cost. METHODS: Subjects (n=15) walked (4.0 km/h) on a treadmill for an 8 -minute baseline walking period followed by 20-minutes of walking (4.0 km/h) with support surface motion (0.3 Hz, sinusoidal lateral motion, peak amplitude 25.4 cm) provided by the treadmill/motion-base system. Stride frequency and auditory reaction time were collected as measures of locomotor stability and multi-tasking ability, respectively. Metabolic data (VO2) were collected via a portable metabolic gas analysis system. RESULTS: At the onset of lateral support surface motion, subj ects walking on our treadmill showed an increase in stride frequency and auditory reaction time indicating initial balance and multi-tasking disturbances. During the 20-minute adaptation period, balance control and multi-tasking performance improved. Similarly, throughout the 20-minute adaptation period, VO2 gradually decreased following an initial increase after the onset of support surface motion. DISCUSSION: Resu lts confirmed that walking in discordant conditions not only compromises locomotor stability and the ability to multi-task, but comes at a quantifiable metabolic cost. Importantly, like locomotor stability and multi-tasking ability, metabolic expenditure while walking in discordant sensory conditions improved during adaptation. This confirms that sensorimotor adaptability training can benefit multiple performance parameters central to the successful completion of critical mission tasks.

Bloomberg, J. J.↗

DOE OSTI2023

A parallel p ‐adaptive discontinuous Galerkin method for the Euler equations with dynamic load‐balancing on tetrahedral grids

Abstract A novel p ‐adaptive discontinuous Galerkin (DG) method has been developed to solve the Euler equations on three‐dimensional tetrahedral grids. Hierarchical orthogonal basis functions are adopted for the DG spatial discretization while a third order TVD Runge‐Kutta method is used for the time integration. A vertex‐based limiter is applied to the numerical solution in order to eliminate oscillations in the high order method. An error indicator constructed from the solution of order and is used to adapt degrees of freedom in each computational element, which remarkably reduces the computational cost while still maintaining an accurate solution. The developed method is implemented with under the Charm++ parallel computing framework. Charm++ is a parallel computing framework that includes various load‐balancing strategies. Implementing the numerical solver under Charm++ system provides us with access to a suite of dynamic load balancing strategies. This can be efficiently used to alleviate the load imbalances created by p ‐adaptation. A number of numerical experiments are performed to demonstrate both the numerical accuracy and parallel performance of the developed p ‐adaptive DG method. It is observed that the unbalanced load distribution caused by the parallel p ‐adaptive DG method can be alleviated by the dynamic load balancing from Charm++ system. Due to this, high performance gain can be achieved. For the testcases studied in the current work, the parallel performance gain ranged from 1.5× to 3.7×. Therefore, the developed p ‐adaptive DG method can significantly reduce the total simulation time in comparison to the standard DG method without p ‐adaptation.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2003

Estimation of Transpiration and Water Use Efficiency Using Satellite and Field Observations

Structure and function of terrestrial plant communities bring about intimate relations between water, energy, and carbon exchange between land surface and atmosphere. Total evaporation, which is the sum of transpiration, soil evaporation and evaporation of intercepted water, couples water and energy balance equations. The rate of transpiration, which is the major fraction of total evaporation over most of the terrestrial land surface, is linked to the rate of carbon accumulation because functioning of stomata is optimized by both of these processes. Thus, quantifying the spatial and temporal variations of the transpiration efficiency (which is defined as the ratio of the rate of carbon accumulation and transpiration), and water use efficiency (defined as the ratio of the rate of carbon accumulation and total evaporation), and evaluation of modeling results against observations, are of significant importance in developing a better understanding of land surface processes. An approach has been developed for quantifying spatial and temporal variations of transpiration, and water-use efficiency based on biophysical process-based models, satellite and field observations. Calculations have been done using concurrent meteorological data derived from satellite observations and four dimensional data assimilation for four consecutive years (1987-1990) over an agricultural area in the Northern Great Plains of the US, and compared with field observations within and outside the study area. The paper provides substantive new information about interannual variation, particularly the effect of drought, on the efficiency values at a regional scale.

Choudhury, Bhaskar J.↗

DOE OSTI2021

Quantifying improvements in water-stable aggregation caused by corn stover retention

Not provided.

Agriculture↗

DOE OSTI2023

DFT-guided flux synthesis of a family of layered titanates crystallizing in the lepidocrocite structure type

K 0.72 Fe 0.72 Ti 1.28 O 4 , a layered mixed-metal oxide belonging to the lepidocrocite structure type, was grown out of a molten KCl-KF mixture at 800 °C. The compound crystallizes in orthorhombic space group Cmcm and exhibits two-dimensional layers, composed of mixed Fe/Ti octahedra, separated by K ions that occupy the interlayer layer space and maintain charge balance. The targeted flux synthesis of the Ni, Cu, and Zn analogs was carried out after density functional theory (DFT) calculations predicted their formation to be energetically favorable, yielding K 0.77 Ni 0.38 Ti 1.62 O 4 , K 0.77 Cu 0.38 Ti 1.62 O 4 , and K 0.73 Zn 0.36 Ti 1.64 O 4 . Finally, all four compositions can be prepared via conventional solid-state technique by mixing and heating stoichiometric amounts of KNO 3 , appropriate transition metal oxide precursors, and TiO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Carbon source–driven metabolic and regulatory remodeling defines phenomic states in Lipomyces starkeyi

Lipomyces is a genus of oleaginous yeasts with potential for contributing to reliable biomanufacturing supply chains. However, progress in advanced strain designs and engineering efforts are still constrained by a lack of understanding of the underlying molecular drivers of Lipomyces phenotypes. To address this gap, we collected a suite of multi-omic data to dissect how carbon source availability reshapes the metabolic network, lipid allocation, and regulatory architecture of Lipomyces starkeyi. We observed that glucose promotes biosynthetic and proliferative processes supported by abundant energy and carbon intermediates, xylose enhances redox-balancing mechanisms centered on the pentose phosphate pathway, and glycerol activates respiratory metabolism, ß-oxidation, and the glyoxylate cycle. Lipid species distributions remained consistent in both nitrogen replete and depleted conditions across the carbon sources, indicating robust production mechanisms. Regulatory protein identification and network analysis revealed glycerol-driven respiratory growth favors regulatory programs integrating stress tolerance, redox balance, and lipid-associated metabolism, whereas xylose growth activates compensatory transcriptional responses aimed at maintaining mitochondrial function. Nitrogen limitation modulates the strength of these responses but does not fundamentally alter their direction, reinforcing carbon source as the dominant driver of regulatory architecture. Taken together, this data enhances the understanding of Lipomyces molecular rearrangements and provides a foundation for further development of predictive phenotypic tools in this genus.

Biotechnology↗

NASA NTRS1971

Biomedical findings on American astronauts participating in space missions.

Zero-gravity adaptive responses of man are discussed on the basis of biomedical data for 54 American astronauts, covering performance, locomotion, orientation, sleep and physiological and functional characteristics. Figures and diagrams are given for cardiovascular adaptation, weight loss, endocrine and electrolyte responses, fluid balance, skeletal responses, muscular and neuromuscular changes, exercise response tests and work capacity indicators. A review is given of current hypotheses concerning the processes involved in human adaptation to zero gravity. It is concluded that the immediate response of the body to weightlessness is a redistribution of the total circulating blood volume, leading to a loss of water, sodium and potassium through the kidneys and, thus, to a loss in total body weight.

Berry, C. A.↗