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At least 1,603 records · Page 89

WHONDRS 2016 Sediment Organic Matter Characterization Data from Streams across HJ Andrews Experimental Forest, Oregon

This dataset supports a broader synoptic effort to map morphological, hydrological, chemical, and biological conditions across a fifth-order mountain stream network. Samples were generated through a collaborative synoptic sampling effort in 2016. The dataset provides sediment Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) from 60 sites across the HJ Andrews Experimental Forest, Oregon (https://andrewsforest.oregonstate.edu). Related data were collected as part of the event and were published separately in collaboration with other team members. The data are available at http://www.hydroshare.org/resource/ea6c0832885a46c3939e7bb22e48e754 and are described within https://doi.org/10.5194/essd-11-1567-2019 (Ward et al., 2019). The hydroshare data package contains processed FTICR-MS data from the samples included in this data package. The data were processed via Formultitude (previously called Formularity; https://github.com/PNNL-Comp-Mass-Spec/Formultitude). However, we have re-processed the data using Core-MS and included it in this data package. Additional related data collected in 2025 from a similar effort can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3023310 and http://www.hydroshare.org/resource/b274c4a234bf4b12b7cb8a54a696c629. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of sample data; (2) data dictionary; (3) file-level metadata; (4); (5) coordinates; and (6) readme. The sample data subfolder contains 12 Tesla (12T) FTICR-MS data. This folder contains the processed data and three subfolders, one containing the .xml files, one containing the CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .xml, .Rmd, .py, .cal, or .json.

Biogeochemistry↗

The utility of surface temperature measurements for the remote sensing of surface soil water status

Experiments carried out on an Avondale loam soil indicated that the thermal inertia concept of soil water content detection is reasonably sound. The volumetric water contents of surface soil layers between 2 and 4 cm thick were found to be linear functions of the amplitude of the diurnal surface soil temperature wave for clear day-night periods. They were also found to be linear functions of the daily maximum value of the surface soil-air-temperature differential. Tests on three additional soils ranging from sandy loam to clay indicated that the relations determined for Avondale loam could not be accurately applied to these other soil types. When the moisture characteristic curves of each soil were used to transform water contents into pressure potentials, however, it was found that soil water pressure potential could be determined without prior knowledge of soil type, and thus its value as a potential soil water status survey tool was significantly enhanced.

Idso, S. B.↗

A series expansion of the acoustic power radiated from planar sources

A series expansion in ascending powers of the wavenumber k is derived for the acoustic power delivered by baffled or unbaffled planar sources. This series provides a relatively simple means of derving expressions for the power radiated by a baffled source with a known velocity distribution and can be used for unbaffled plates when the velocity field outside the plate is also known. The terms in the series are calculated from the moments of this velocity distribution in the plane containing the source. If these moments are written as derivaties in wavenumber space, it is shown that a MacLaurin expansion of the Fourier transformed velocity provides an easy technique for computing the first few terms of the acoustic power. Examples are provided for baffled, rectangular plates with various boundary conditions. The arbirarily shaped plate with free boundaries is particularly interesting. It is proven that the volume flow across it surface must be zero and as a result corner and edge mode radiation cannot exist for this kind of source.

Willams, E. G.↗

Reference manual for the Thermal Analyst's Help Desk Expert System

This document provides technical information and programming guidance for the maintenance and future development of the Thermal Analyst's Help Desk. Help Desk is an expert system that operates within the EXSYSTM expert system shell, and is used to determine first approximations of thermal capacity for spacecraft and instruments. The five analyses supported in Help Desk are: (1) surface area required for a radiating surface, (2) equilibrium temperature of a surface, (3) enclosure temperature and heat loads for a defined position in orbit, (4) enclosure temperature and heat loads over a complete orbit and, (5) selection of appropriate surface properties. The two geometries supported by Help Desk are a single flat plate and a rectangular box enclosure. The technical information includes the mathematical approach and analytical derivations used in the analyses such as: radiation heat balance, view factor calculation, and orbit determination with coordinate transformation. The programming guide for developers describes techniques for enhancement of Help Desk. Examples are provided showing the addition of new features, user interface development and enhancement, and external program interfaces.

Ormsby, Rachel A.↗

Spatial and temporal traction response in human airway smooth muscle cells

Tractions that cells exert on their substrates are essential in cell spreading, migration, and contraction. These tractions can be determined by plating the cells on a flexible gel and measuring the deformation of the gel by using fluorescent beads embedded just below the surface of the gel. In this article we describe the image correlation method (ICM) optimized for determining the displacement field of the gel under a contracting cell. For the calculation of the traction field from the displacement field we use the recently developed method of Fourier transform traction cytometry (FTTC). The ICM and FTTC methods are applied to human airway smooth muscle cells during stimulation with the contractile agonist histamine or the relaxing agonist isoproterenol. The overall intensity of the cell contraction (the median traction magnitude, the energy transferred from the cell to the gel, and the net contractile moment) increased after activation with histamine, and decreased after treatment with isoproterenol. Cells exhibited regional differences in the time course of traction during the treatment. Both temporal evolution and magnitude of traction increase induced by histamine varied markedly among different cell protrusions, whereas the nuclear region showed the smallest response. These results suggest that intracellular mediators of cell adhesion and contraction respond to contractile stimuli with different rates and intensities in different regions of the cell.

NASA Discipline Cell Biology↗

Mars Geological Province Designations for the Interpretation of GRS Data

Introduction: An overarching geologic theory, GEOMARS, coherently explains many otherwise anomalous aspects of the geological history of Mars. Premises for a theory of martian geologic evolution include: (1) Mars is a water-rich terrestrial planet, (2) terrestrial planets should evolve through progressive stages of dynamical history (accretion, differentiation, tectonism) and mantle convection (magma ocean, plate tectonism, stagnant lid), and (3) the early history of Earth affords an analogue to the evolution of Mars. The theory describes the following major stages of evolution for Mars (from oldest to youngest): Stage 1 - shortly after accretion, Mars differentiates to a liquid metallic core, a mantle boundary (MBL) of high-pressure silicate mineral phases, upper mantle, magma ocean, thin komatiic crust, and convecting steam atmosphere; Stage 2- Mars cools to condense its steam atmosphere and transform its mode of mantle convection to plate tectonism; subduction of waterrich oceanic crust initiates arc volcanism and transfers water, carbonates and sulfates to the mantle; Stage 3 - the core dynamo initiates, and the associated magnetosphere leads to conditions conducive to the development of near-surface life and photosynthetic production of oxygen; Stage 4 - accretion of thickened, continental crust and subduction of hydrated oceanic crust to the mantle boundary layer and lower mantle of Mars occurs; Stage 5 - the core dynamo stops during Noachian heavy bombardment while plate tectonism continues; Stage 6 - initiation of the Tharsis superplume (approx. between 4.0 and 3.8Ga) occurs, and Stage 7 - the superlume phase (stagnant-lid regime) of martian planetary evolution with episodic phases of volcanism and water outflows continues into the present. The GEOMARS Theory is testable through a multidisciplinary approach, including utilizing GRS-based information. Based on a synthesis of published geologic, paleohydrologic, topographic, geophysical, spectral, and elemental information, we have defined geologic provinces that represent significant windows into the geological evolution of Mars, unfolding the GEOMARS Theory and forming the basis for interpreting GRS data.

Dohm, J. M.↗

Data-Analysis System for Entry, Descent, and Landing

A report describes the Entry Descent Landing Data Analysis (EDA), which is a system of signal-processing software and computer hardware for acquiring status data conveyed by multiple-frequency-shift-keying tone signals transmitted by a spacecraft during descent to the surface of a remote planet. The design of the EDA meets the challenge of processing weak, fluctuating signals that are Doppler-shifted by amounts that are only partly predictable. The software supports both real-time and post processing. The software performs fast-Fourier-transform integration, parallel frequency tracking with prediction, and mapping of detected tones to specific events. The use of backtrack and refinement parallel-processing threads helps to minimize data gaps. The design affords flexibility to enable division of a descent track into segments, within each of which the EDA is configured optimally for processing in the face of signal conditions and uncertainties. A dynamic-lock-state feature enables the detection of signals using minimum required computing power less when signals are steadily detected, more when signals fluctuate. At present, the hardware comprises eight dual-processor personal-computer modules and a server. The hardware is modular, making it possible to increase computing power by adding computers.

Pham, Timothy↗

Climate Trends in the Arctic as Observed from Space

The Arctic is a region in transformation. Warming in the region has been amplified, as expected from ice-albedo feedback effects, with the rate of warming observed to be approx. 0.60+/-0.07 C/decade in the Arctic (>64degN) compared to approx. 0.17 C/decade globally during the last three decades. This increase in surface temperature is manifested in all components of the cryosphere. In particular, the sea ice extent has been declining at the rate of approx. 3.8%/decade, whereas the perennial ice (represented by summer ice minimum) is declining at a much greater rate of approx.11.5%/decade. Spring snow cover has also been observed to be declining by −2.12%/decade for the period 1967-2012. The Greenland ice sheet has been losing mass at the rate of approx. 34.0Gt/year (sea level equivalence of 0.09 mm/year) during the period from 1992 to 2011, but for the period 2002-2011, a higher rate of mass loss of approx. 215 Gt/year has been observed. Also, the mass of glaciers worldwide declined at the rate of 226 Gt/year from 1971 to 2009 and 275 Gt/year from 1993 to 2009. Increases in permafrost temperature have also been measured in many parts of the Northern Hemisphere while a thickening of the active layer that overlies permafrost and a thinning of seasonally frozen ground has also been reported. To gain insight into these changes, comparative analysis with trends in clouds, albedo, and the Arctic Oscillation is also presented.

arctic↗

Reaction dynamics of S( 3 P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations

Sulfur atoms serve as key players in diverse chemical processes, from astrochemistry at very low temperature to combustion at high temperature. Building upon our prior findings, showing cyclization to thiophenes following the reaction of ground-state sulfur atoms with dienes, we here extend this investigation to include many additional reaction products, guided by detailed theoretical predictions. The outcomes highlight the complex formation of products during intersystem crossing (ISC) to the singlet surfaces. Here, we employed crossed-beam velocity map imaging and high-level ab initio methods to explore the reaction of S( 3 P) with 1,3-butadiene and isoprene under single-collision conditions and in low-temperature flows. For the butadiene reaction, our experimental results show the formation of thiophene via H 2 loss, a 2H-thiophenyl radical through H loss, and thioketene through ethene loss at a slightly higher collision energy compared to previous observations. Complementary Chirped-Pulse Fourier-Transform mmWave spectroscopy (CP-FTmmW) measurements in a uniform flow confirmed the formation of thioketene in the reaction at 20 K. For the isoprene reaction, we observed analogous products along with the 2H-thiophenyl radical arising from methyl loss and C 3 H 4 S (loss of ethene or H 2 + acetylene). CP-FTmmW detected the formation of thioformaldehyde via loss of 1,3-butadiene, again in the 20 K flow. Coupled-cluster calculations on the pathways found by the automated kinetic workflow code KinBot support these findings and indicate ISC to the singlet surface, leading to the generation of various long-lived intermediates, including 5-membered heterocycles.

Lang, Jinxin↗

Effects of Mineral Impurities and Heat on Uranium(VI) Sorption onto Bentonite (Final Report)

Most nuclear waste disposal options include compacted bentonite, consisting of montmorillonite clay, as part of a barrier system to minimize contaminant mobility. Uranium (U) is the primary element in spent nuclear fuel, and from an environmental perspective, a potential contaminant of water resources. Furthermore, uranium may control nuclear fuel degradation rates and the consequent release of other radioactive contaminants based on its diffusive transport away from waste canisters. Uranium sorption onto clay and other mineral surfaces is expected to limit U(VI) mobility in these systems. However, at this point a prediction of U(VI) sorption and transport behavior in performance assessment (PA) models is complicated by a series of factors, such as: (1) the presence of various U(VI) solution species with different charges and sorption characteristics; (2) the complex microstructure of montmorillonite clay resulting in two types of clay porosities and multiple sorption sites; (3) the largely unknown effects of bentonite mineral impurities on pore water chemistry, U(VI) sorption and diffusion behavior; and (4) the potential impacts of heat, generated by the decay of spent fuel, on mineralogical and microstructural transformations, and any subsequent effects on radionuclide sorption and mobility. In this project, we investigated the effects of calcite impurities on U(VI) sorption and diffusion onto montmorillonite before and after mineral exposure to heat. Overall, our main goals were to: 1. Gain a mechanistic understanding of the effects of calcite impurities on U(VI) sorption and diffusion in montmorillonite/bentonite at variable chemical conditions, and before and after mineral exposure to heat; and to 2. Work towards the development of new surface complexation and diffusion models to predict U(VI) sorption and mobility in montmorillonite/bentonite while accounting for the impacts of calcite impurities and heat. In order to achieve these goals, we pursued the following research objectives and tasks: 1. Characterize the effects of calcite impurities on U(VI) sorption onto Na-montmorillonite, and evaluate if and how these effects change due to solids’ exposure to heat (Task 1). 2. Characterize U(VI) surface speciation in solid samples from Task 1, with a particular focus on U(VI) precipitates and co-precipitates (Task 2). 3. Test the relevance of observed changes in U(VI) sorption characteristics for U(VI) diffusive transport behavior in bentonite barriers (Task 3). 4. Evaluate the exclusion of anionic U(VI) solution complexes from clay nanopores (Task 4). 5. Building on Tasks 1-4, start the development of new surface complexation and reactive transport models that can simulate and predict U(VI) sorption and diffusion in complex bentonite systems (Task 5). A detailed description of all tasks, and their specific results and conclusions is provided in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Effects of Material Selection on the Remanufacturability of a Swashplate in an Axial Piston Pump

A swashplate is a critical component in an axial piston pump for motion transformation that undergoes cyclic loading. Traditionally, swashplates are not designed to have multiple lives of operation. According to industry experts, a remanufacturability analysis of swashplates suggests that the scrap rate is high. Among the primary reasons for this high scrap rate is insufficient material on the running surface, especially for subtractive recovery. Therefore, the selection of the proper material and its amount plays a significant role in the fatigue behavior, the remanufacturability of the swashplate, as well as its cost. Analyses addressing fatigue life, remanufacturability, and cost of the swashplate were carried out in this paper through a comparative study utilizing various materials. Recommendations on the material selection that balance the failure consequences, remanufacturability, and cost are provided to guide designers in making informed decisions for alternative design options.

42 ENGINEERING↗

Preserving Structurally Labile Peptide Nanosheets After Molecular Functionalization of the Self-Assembling Peptides

A significant challenge in creating supramolecular materials is that conjugating molecular functionalities to building blocks often results in dissociation or undesired morphological transformation of their assemblies. Here we present a facile strategy to preserve structurally labile peptide assemblies after molecular modification of the self-assembling peptides. Sheet-forming peptides are designed to afford a staggered alignment with the segments bearing chemical modification sites protruding from the sheet surfaces. The staggered assembly allows for simultaneous separation of attached molecules from each other and from the underlying assembly motifs. Strikingly, using PEGs as the external molecules, PEG 400 - and PEG 700 -peptide conjugates directly self-associate into nanosheets with the PEG chains localized on the sheet surfaces. In contrast, the sheet formation based on in-register lateral packing of peptides does not recur upon the peptide PEGylation. This strategy allows for fabrication of densely modified assemblies with a variety of molecules, as demonstrated using biotin (hydrophobic molecule), c(RGDfK) (cyclic pentapeptide), and nucleic acid aptamer (negatively charged ssDNA). The staggered co-assembly also enables extended tunability of the amount/density of surface molecules, as exemplified by screening ligand-appended assemblies for cell targeting. In conclusion, this study paves the way for functionalization of historically challenging fragile assemblies while maintaining their overall morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical framework for integrated additive manufacturing-compression molding (AM-CM) of thermoplastic composites

Additive manufacturing-compression molding (AM-CM) has emerged as a transformative technology in advanced composite manufacturing. Additive manufacturing (AM) offers high design flexibility and the ability to produce complex geometries with precisely aligned fibers in the preferred orientation. Compression molding (CM) enhances composite materials by providing excellent dimensional stability, reduced porosity, high production rates, and a smooth surface finish. Despite these advantages, extensive integrated analysis is required to optimize processing conditions for improved fiber orientation distribution (FOD) and porosity control. Here, this study develops a comprehensive numerical model to simulate the AM-CM manufacturing process. The model isolates the effects of both the AM and CM phases while also capturing their integration. Additionally, it accounts for heat transfer, temperature-dependent viscosity, and fiber orientation in the extruded fiber-filled polymer, accurately representing material behavior during processing. This approach enables the analysis of interactions between deposited beads of complex strand shapes and their interface regions after full compression. Moreover, the model predicts key parameters such as polymer flowability, fiber orientation, and temperature evolution in AM-CM parts. By optimizing processing conditions, it facilitates a controlled and predictable microstructure.

36 MATERIALS SCIENCE↗

Ammonia Electrosynthesis from Nitrate Using a Ruthenium–Copper Cocatalyst System: A Full Concentration Range Study

Electrochemical synthesis of ammonia via the nitrate reduction reaction (NO3RR) has been intensively researched as an alternative to the traditional Haber–Bosch process. Most research focuses on the low concentration range representative of the nitrate level in wastewater, leaving the high concentration range, which exists in nuclear and fertilizer wastes, unexplored. The use of a concentrated electrolyte (≥1 M) for higher rate production is hampered by poor hydrogen transfer kinetics. Herein, we demonstrate that a cocatalytic system of Ru/Cu 2 O catalyst enables NO3RR at 10.0 A in 1 M nitrate electrolyte in a 16 cm 2 flow electrolyzer, with 100% faradaic efficiency toward ammonia. Detailed mechanistic studies by deuterium labeling and operando Fourier transform infrared (FTIR) spectroscopy allow us to probe the hydrogen transfer rate and intermediate species on Ru/Cu 2 O. Ab initio molecular dynamics (AIMD) simulations reveal that adsorbed hydroxide on Ru nanoparticles increases the density of the hydrogen-bonded water network near the Cu 2 O surface, which promotes the hydrogen transfer rate. Finally, our work highlights the importance of engineering synergistic interactions in cocatalysts for addressing the kinetic bottleneck in electrosynthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Response Surface Methodology As a New Approach for Finding Optimal MALDI Matrix Spraying Parameters for Mass Spectrometry Imaging

Automated spraying devices have become ubiquitous in laboratories employing matrixassisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI), in part because they permit control of a number of matrix application parameters that can easily be reproduced for intra- and interlaboratory studies. Determining the optimal parameters for MALDI matrix application, such as temperature, flow rate, spraying velocity, number of spraying cycles, and solvent composition for matrix application, is critical for obtaining high-quality MALDI-MSI data. However, there are no established approaches for optimizing these multiple parameters simultaneously. Instead optimization is performed iteratively (i.e., one parameter at a time), which is time consuming and can lead to overall non-optimal settings. In this report, we demonstrate the use a novel experimental design and the response surface methodology to optimize five parameters of MALDI matrix application using a robotic sprayer. Thirtytwo combinations of MALDI matrix spraying conditions were tested, which allowed us to elucidate relationships between each of the application parameters as determined by MALDI-MS (specifically, using a 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer). As such, we were able to determine the optimal automated spraying parameters that minimized signal de-localization and enabled high MALDI sensitivity. We envision this optimization strategy can be utilized for other MALDI-MSI applications, tissue types, and matrix application approaches.

60 APPLIED LIFE SCIENCES↗

Autonomous Inversion of In Situ Deformation Measurement Data for Injection-Induced Stress Change

Geologic carbon storage (GCS) is likely to play a key part of the global effort to dramatically reduce CO2 emissions and perhaps even reduce atmospheric CO2 concentrations through carbon negative operations. A critical part of effort to commercialize and widely deploy this technology is developing the capability to rapidly assimilate real-time monitoring data into a form that will enable site operators to make decisions to manage the safe and efficient operations. Two of the risks associate with GCS are the risk of inducing fractures in the sealing formations that can create leakage pathways and the risk of inducing earthquakes of sufficient magnitude to cause public concern, property damage, or safety risks. To properly manage these risks the site operator needs to know the initial state of stress, the change in stress induced by injection, and the relationship between operational parameters such as injection rate and pressure and the change in stress. Current methods of estimating the change in stress require choosing the type of constitutive model and the model parameters based on core, log, and geophysical data during the characterization phase, with little feedback from operational observations to validate or refine these choices. These characterization methods interrogate the geologic formations using length scales, loading rates or magnitudes that are quite different from those encountered by the actual storage system. It is shown that errors in the assumed constitutive response, even when informed by laboratory tests on core samples, are likely to be common, large, and underestimate the magnitude of stress change caused by injection. Recent advances in borehole-based strain instruments and borehole and surface-based tilt and displacement instruments have now enabled monitoring of the deformation of the storage system throughout its operational lifespan. This data can enable validation and refinement of the knowledge of the geomechanical properties and state of the system, but brings with it a challenge to transform the raw data into actionable knowledge. We demonstrate a method that uses automatic differentiation and a finite-element based geomechanical model perform a gradient-based deterministic inversion of geomechanical monitoring data. This approach allows autonomous integration of the instrument data without the need for time consuming manual interpretation and selection of updated model parameters. Furthermore, only isotropic linear elasticity is considered in this paper, the approach presented is very flexible as to what type of geomechanical constitutive response can be used. The approach is easily adaptable to nonlinear physics-based constitutive models to account for common rock behaviors such as creep and plasticity. The approach also enables training of machine learning-based constitutive models by allowing back propagation of errors through the finite element calculations. This enables strongly enforcing known physics, such as conservation of momentum and continuity, while allowing data-driven models to learn the truly unknown physics such as the constitutive or petrophysical responses.

Burghardt, Jeffrey A.↗

Super-Eddington winds from neutron stars

Results are presented from a study of winds driven by a super-Eddington rate of energy deposition near the surface of a neutron star, a condition which may develop following a collision between two neutron stars when more than 10 to the 53rd ergs is radiated during a few seconds. A fraction of that energy, perhaps as large as 10 to the 50th ergs, may be transformed into electron-positron pairs and drive a powerful wind. Using a model of the highly super-Eddington wind, the fraction of energy injected into a wind that emerges as gamma rays is estimated. It is shown that it is possible to reach gamma-ray temperatures with the optically thick winds, provided the energy injection rate is sufficiently high.

Paczynski, Bohdan↗

Brahms Mobile Agents: Architecture and Field Tests

We have developed a model-based, distributed architecture that integrates diverse components in a system designed for lunar and planetary surface operations: an astronaut's space suit, cameras, rover/All-Terrain Vehicle (ATV), robotic assistant, other personnel in a local habitat, and a remote mission support team (with time delay). Software processes, called agents, implemented in the Brahms language, run on multiple, mobile platforms. These mobile agents interpret and transform available data to help people and robotic systems coordinate their actions to make operations more safe and efficient. The Brahms-based mobile agent architecture (MAA) uses a novel combination of agent types so the software agents may understand and facilitate communications between people and between system components. A state-of-the-art spoken dialogue interface is integrated with Brahms models, supporting a speech-driven field observation record and rover command system (e.g., return here later and bring this back to the habitat ). This combination of agents, rover, and model-based spoken dialogue interface constitutes a personal assistant. An important aspect of the methodology involves first simulating the entire system in Brahms, then configuring the agents into a run-time system.

Clancey, William J.↗