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At least 127 records · Page 7

Tropical forests and global change: biogeochemical responses and opportunities for cross-site comparisons, an organized INSPIRE session at the 108th Annual Meeting, Ecological Society of America, Portland, Oregon, USA, August 2023

In this study, tropical forests play a critical role in the global carbon (C) cycle. These ecosystems maintain the highest rates of net primary production (NPP) on Earth, contain c. 30% of terrestrial C stocks, and have some of the largest stores of fine-root biomass globally, as well as higher fine-root production and turnover rates compared with other biomes. Tropical forest responses to projected warming, altered rainfall regimes, and elevated CO 2 concentrations are likely to be different from other ecosystems because of their unique characteristics (Box 1), making targeted research and model development important for understanding tropical forest–climate feedbacks. There is now a critical mass of long-term global change field experiments and modeling efforts in tropical forests, yet thus far there has been little synthesis, cross-site comparison, or multi-site standardized experimentation among tropical forests to help us understand how these biomes are changing. An organized INSPIRE session at the 108th Annual Meeting of the Ecological Society of America set out to tackle just this. Speakers covered large-scale tropical forest field experiments and modeling efforts, with an emphasis on changes in ecosystem biogeochemistry under warming, drying, elevated atmospheric CO 2 , and changing nutrient status. In this Meeting report, we provide an overview of the large-scale global change experiments presented and highlight the main objectives and opportunities for tropical forest research that emerged, including cross-site comparisons and integration with ecosystem-scale models (Fig. 1).

54 ENVIRONMENTAL SCIENCES↗

Expanded Analogs of Three‐Dimensional Lead‐Halide Hybrid Perovskites

Abstract Replacing the Pb−X octahedral building unit of A I PbX 3 perovskites (X=halide) with a pair of edge‐sharing Pb−X octahedra affords the expanded perovskite analogs: A II Pb 2 X 6 . We report seven members of this new family of materials. In 3D hybrid perovskites, orbitals from the organic molecules do not participate in the band edges. In contrast, the more spacious inorganic sublattice of the expanded analogs accommodates larger pyrazinium‐based cations with low‐lying π* orbitals that form the conduction band, substantially decreasing the band gap of the expanded lattice. The molecular nature of the conduction band allows us to electronically dope the materials by reducing the organic molecules. By synthesizing derivatives with A II =pyridinium and ammonium, we can isolate the contributions of the pyrazinium‐based orbitals in the band gap transition of A II Pb 2 X 6 . The organic‐molecule‐based conduction band and the inorganic‐ion‐based valence band provide an unusual electronic platform with localized states for electrons and more disperse bands for holes upon optical or thermal excitation.

Umeyama, Daiki↗

Algorithm Development and Validation for Satellite-Derived Distributions of DOC and CDOM in the US Middle Atlantic Bight

In coastal ocean waters, distributions of dissolved organic carbon (DOC) and chromophoric dissolved organic matter (CDOM) vary seasonally and interannually due to multiple source inputs and removal processes. We conducted several oceanographic cruises within the continental margin of the U.S. Middle Atlantic Bight (MAB) to collect field measurements in order to develop algorithms to retrieve CDOM and DOC from NASA's MODIS-Aqua and SeaWiFS satellite sensors. In order to develop empirical algorithms for CDOM and DOC, we correlated the CDOM absorption coefficient (a(sub cdom)) with in situ radiometry (remote sensing reflectance, Rrs, band ratios) and then correlated DOC to Rrs band ratios through the CDOM to DOC relationships. Our validation analyses demonstrate successful retrieval of DOC and CDOM from coastal ocean waters using the MODIS-Aqua and SeaWiFS satellite sensors with mean absolute percent differences from field measurements of < 9 %for DOC, 20% for a(sub cdom)(355)1,6 % for a(sub cdom)(443), and 12% for the CDOM spectral slope. To our knowledge, the algorithms presented here represent the first validated algorithms for satellite retrieval of a(sub cdom) DOC, and CDOM spectral slope in the coastal ocean. The satellite-derived DOC and a(sub cdom) products demonstrate the seasonal net ecosystem production of DOC and photooxidation of CDOM from spring to fall. With accurate satellite retrievals of CDOM and DOC, we will be able to apply satellite observations to investigate interannual and decadal-scale variability in surface CDOM and DOC within continental margins and monitor impacts of climate change and anthropogenic activities on coastal ecosystems.

Mannino, Antonio↗

Expanded Analogs of Three-Dimensional Lead-Halide Hybrid Perovskites

Replacing the Pb-X octahedral building unit of A I PbX 3 perovskites (X=halide) with a pair of edge-sharing Pb-X octahedra affords the expanded perovskite analogs: A II Pb 2 X 6 . We report seven members of this new family of materials. In 3D hybrid perovskites, orbitals from the organic molecules do not participate in the band edges. In contrast, the more spacious inorganic sublattice of the expanded analogs accommodates larger pyrazinium-based cations with low-lying π* orbitals that form the conduction band, substantially decreasing the band gap of the expanded lattice. The molecular nature of the conduction band allows us to electronically dope the materials by reducing the organic molecules. By synthesizing derivatives with AII=pyridinium and ammonium, we can isolate the contributions of the pyrazinium-based orbitals in the band gap transition of A II Pb 2 X 6 . The organic-molecule-based conduction band and the inorganic-ion-based valence band provide an unusual electronic platform with localized states for electrons and more disperse bands for holes upon optical or thermal excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adaptive Optical Two-Photon Fluorescence Microscopy Probes Cellular Organization of Ocular Lenses In Vivo

The mammalian ocular lens is an avascular multicellular organ that grows continuously throughout life. Traditionally, its cellular organization is investigated using dissected lenses, which eliminates in vivo environmental and structural support. Therefore, in vivo optical imaging methods for studying lenses in their native context in live animals are urgently needed. Here, we demonstrated that two-photon fluorescence microscopy can visualize lens cells in vivo. To maintain subcellular resolution at depth, we used adaptive optics to correct aberrations owing to ocular and lens tissues, which led to substantial signal and resolution improvements. Imaging lens cells up to 980 µm deep, we observed novel cellular organizations including suture-associated voids, enlarged vacuoles, and large cavities, contrary to the conventional view of a highly ordered organization. We tracked these features longitudinally over weeks and observed the incorporation of new cells during growth. Taken together, noninvasive longitudinal in vivo imaging of lens morphology using adaptive optics two-photon fluorescence microscopy will allow us to observe the development or alterations of lens cellular organization in living animals directly.

60 APPLIED LIFE SCIENCES↗

Estimating Critical Customer Outages Resulting from Extreme Hurricanes

US power outage data has been collected by organizations such as Oak Ridge National Laboratory (ORNL) through Environment for Analysis Geo-Located Energy Infrastructure (EAGLE-I: freely available) and poweroutage.us (commercial data: available to purchase). However, these sources do not provide information specific to outages of critical customers. Critical customers include entities, facilities, and individuals whose continuous access to electricity is essential for public safety, emergency response, disaster recovery, the well-being of vulnerable populations, public safety and order, and public utilities such as natural gas, communications, water and sanitation. Identification and geolocation of critical customers is crucial for understanding and addressing the effects of power outages on essential services and ensuring that necessary measures are taken to maintain their operations during power disruptions. This work is a first step towards estimating the occurrences of critical customer outages and developing a critical customer power outage data repository. This work estimates outage incidents of critical customers through spatiotemporal mapping of power outage data, weather data, building data, and critical infrastructure network data. Our results show that critical customer effects vary across different counties. We provide appropriate mathematical explanations and simplifications to define and systematize the proposed approach.

Bhusal, Narayan [ORNL] (ORCID:0000000222752145)↗

Life into Space: Space Life Sciences Experiments, Ames Research Center, Kennedy Space Center, 1991-1998, Including Profiles of 1996-1998 Experiments

We have now conducted space life sciences research for more than four decades. The continuing interest in studying the way living systems function in space derives from two main benefits of that research. First, in order for humans to engage in long-term space travel, we must understand and develop measures to counteract the most detrimental effects of space flight on biological systems. Problems in returning to the conditions of Earth must be kept to a manageable level. Second, increasing our understanding of how organisms function in the absence of gravity gives us new understanding of fundamental biological processes. This information can be used to improve human health and the quality of life on Earth.

Souza, Kenneth↗

Development of a NASA Integrated Technical Workforce Career Development Model Entitled Requisite Occupation Competencies and Knowledge -- the ROCK

This paper shares the findings of NASA's Integrated Learning and Development Program (ILDP) in its effort to reinvigorate the HANDS-ON practice of space systems engineering and project/program management through focused coursework, training opportunities, on-the job learning and special assignments. Prior to March 2005, NASA responsibility for technical workforce development (the program/project manager, systems engineering, discipline engineering, discipline engineering and associated communities) was executed by two parallel organizations. In March 2005 these organizations merged. The resulting program-ILDP-was chartered to implement an integrated competency-based development model capable of enhancing NASA's technical workforce performance as they face the complex challenges of Earth science, space science, aeronautics and human spaceflight missions. Results developed in collaboration with NASA Field Centers are reported on. This work led to definition of the agency's first integrated technical workforce development model known as the Requisite Occupation Competence and Knowledge (the ROCK). Critical processes and products are presented including: 'validation' techniques to guide model development, the Design-A-CUrriculuM (DACUM) process, and creation of the agency's first systems engineering body-of-knowledge. Findings were validated via nine focus groups from industry and government, validated with over 17 space-related organizations, at an estimated cost exceeding $300,000 (US). Masters-level programs and training programs have evolved to address the needs of these practitioner communities based upon these results. The ROCK reintroduced rigor and depth to the practitioner's development in these critical disciplines enabling their ability to take mission concepts from imagination to reality.

Menrad, Robert J.↗

Current Status of Programs and Research within the NASA Orbital Debris Program Office

The NASA Orbital Debris Program Office (ODPO) is the world's longest-standing orbital debris research organization. It supports all aspects of international and US national policy-making related to the orbital environment and to spacecraft life cycle requirements. Representing more than just NASA projects, it is the United States' center of expertise in the field. The office continues to advance research in all aspects of orbital debris, including its measurement, modeling, and risk assessment for both orbital and ground safety concerns. This presentation will highlight current activities and recent progress in all aspects of the ODPO's mission.

Bacon, Jack↗

Investigating Extreme Events in the NASA GEOS Multiscale Modeling System

Advances in computing capabilities and scientific development have come together to evolve general circulation models into multi-scale Earth system modeling tools. The Goddard Earth Observing System (GEOS) model is one such example of this evolution. The GEOS model is driven by the finite-volume cubed-sphere (FV3) non-hydrostatic dynamical core. Surrounding FV3 is a scale-aware physics package and data assimilation capability permitting multi-scale application of GEOS for sub-seasonal to seasonal climate prediction, medium range weather prediction, and global mesoscale modeling at convection allowing resolutions. GEOS also includes a comprehensive chemistry package representing a range of capabilities from basic chemistry and interactve aerosols and gaseous species, to carbon emissions and uptake, and complex ozone photochemistry. In this study, we apply the GEOS model to study the fidelity of these processes with increasing horizontal resolution and scale-aware processes in GEOS on extreme events. The GEOS model is run for 40-days beginning in August 2016 at three uniform global resolutions of 13-km (c768), 6-km (c1536) and 3-km (c3072) with 72 vertical levels up to 0.01mb. The model physics use the Grell-Freitas scale-aware convection scheme to dynamically reduce the role of parameterized deep convection as resolved scale processes in the model take over at higher resolutions. We will include high-resolution global emissions and fluxes of aerosols and carbon downscaled from recent satellite observations. We will compare these simulations with reanalyses and observations, focusing on rainfall, clouds and radiative forcing at hourly to monthly timescales. We will closely examine the probability distribution of precipitation intensities and radiative properties of clouds on a daily time scale. In addition, we will focus on extreme events, in particular the diurnal cycle of convection over the US and the frequency and physical nature of organized convection and heavy rain events across the globe.

Putman, William↗

Biomaterials Out of Thin Air: In Situ, On-Demand Printing of Advanced Biocomposites: A New Materials Design and Production Technique Using 3D-Printed Arrays of Bioengineered Cells

We have completed the proof of concept described in our Phase I proposal, a two-material array of nonstructural proteins. We created an implementation of each step in our technology concept and demonstrated its critical functionality. The biological chassis and printing hardware we created as part of this work can be re-used for future work by inserting a material coding region upstream of the fluorescent tag. Overall, we showed that our technology concept is sound. The mission benefit analyses, as described in our Phase I proposal, are complete and contained in this report. These calculations show that our technology can save hundreds of kilograms of upmass for a potential planetary human habit construction mission: the mass per habitat module can be reduced by approximately one third if the biomaterials are manufactured on Earth and included in the mission upmass, and the full 240 kg per module can be saved if the materials are derived entirely from in situ resources. Mass savings between these two extremes is expected for an actual mission, depending on the level of in situ resource extraction technology. We have shown that continued advancement of this technology concept for use in a space mission environment is justified. Our survey of future development pathways proved extremely informative in light of the lessons learned from our proof of concept work and mission scenario analyses. For example, we were able for the first time to distinguish between the levels of functionality provided by production of structural proteins, other polymers such as polysaccharides, and true organic-inorganic composites such as bone and mineralized shell. This new information represents a significant advance in formulating specific applications, and key enabling technologies, for our proposed concept. We surveyed potential collaborations with other projects and synergies with enabling technologies that are developing. We have received requests for collaboration from other institutions, including labs at Stanford University and Drexel University. We have also received visits from industry, including Organovo, a tissue engineering company, and Autodesk, a major 3D and materials design software company. Finally, we have been in touch with the team behind the 2013 NIAC Phase ll 'Super Ball Bot-Structures for Planetary Landing and Exploration' and are planning to develop our biomaterial printing technology with the goal of enabling tensegrity-based rovers such as theirs to use lighter, more robust materials. A smooth transition from TRL 2 to TRL 3 assumes that the implementations of the technology concept which demonstrate critical functionality are also pathways for future development; while this is the case for most hardware or software projects, the multidisciplinary nature of our project, particularly the biological aspect of it, means that this is not always true. For example, as part of this work we showed that although there are large number of known genetic parts that correspond to non-structural materials, this is not true for sequences for structural organic proteins, let alone biominerals. These realizations allowed us to further subdivide our concept into more detailed development areas, some of which are clearly established at TRL 3, others of which were newly identified sub-technologies moved from TRL 1 to TRL 2. Similarly, although a single feasibility /benefit analysis is sufficient for advancement from TRL 2 to TRL 3, not all potential benefits to a technology concept as broad in scope as ours are apparent at TRL 2. Both our future pathways survey and our proof of concept work highlighted that the true mass savings potential of our technology concept cannot be quantified without modification of existing materials modelling tools to take into account the possibility of positional materials properties customization. Therefore, we have simultaneously both advanced one potential set of applications of our technology concept from TRL 2 to TRL 3 and also identified a previously unknown set of applications and advanced it from TRL 1 to TRL 2. Overall, we have moved the original formulation of our concept forward from TRL 2 to TRL 3, and the expanded formulation of it presented in this document has been advanced from a combination of TRL 1 and early 1RL 2 to an overall late TRL 2. We have also identified the key areas necessary for both short-term and long-term advancement, and made recommendations for specific future work in the most promising directions. With future work on a 1-2 year timeframe to continue advancement to overall TRL 3, we will be well positioned to begin work on a specific space mission technology insertion path.

Biology↗

Demonstration of prominent actin filaments in the root columella

The distribution of actin filaments within the gravity-sensing columella cells of plant roots remains poorly understood, with studies over numerous years providing inconsistent descriptions of actin organization in these cells. This uncertainty in actin organization, and thus in actin's role in graviperception and gravisignaling, has led us to investigate actin arrangements in the columella cells of Zea mays L., Medicago truncatula Gaertn., Linum usitatissiilium L. and Nicotianla benthamiana Domin. Actin organization was examined using a combination of optimized immunofluorescence techniques, and an improved fluorochrome-conjugated phalloidin labeling method reliant on 3-maleimidobenzoyl-N-hydroxy-succinimide ester (MBS) cross-linking combined with glycerol permeabilization. Confocal microscopy of root sections labeled with anti-actin antibodies revealed patterns suggestive of actin throughout the columella region. These patterns included short and fragmented actin bundles, fluorescent rings around amyloplasts and intense fluorescence originating from the nucleus. Additionally, confocal microscopy of MBS-stabilized and Alexa Fluor-phalloidin-labeled root sections revealed a previously undetected state of actin organization in the columella. Discrete actin structures surrounded the amyloplasts and prominent actin cables radiated from the nuclear surface toward the cell periphery. Furthermore, the cortex of the columella cells contained fine actin bundles (or single filaments) that had a predominant transverse orientation. We also used confocal microscopy of plant roots expressing endoplasmic reticulum (ER)-targeted green fluorescent protein to demonstrate rapid ER movements within the columella cells, suggesting that the imaged actin network is functional. The successful identification of discrete actin structures in the root columella cells forms the perception and signaling.

Non-NASA Center↗

Leveraging Improvements in Precipitation Measuring from GPM Mission to Achieve Prediction Improvements in Climate, Weather and Hydrometeorology

The main scientific goal of the GPM mission, currently planned for start in the 2007 time frame, is to investigate important scientific problems arising within the context of global and regional water cycles. These problems cut across a hierarchy of scales and include climate-water cycle interactions, techniques for improving weather and climate predictions, and better methods for combining observed precipitation with hydrometeorological prediction models for applications to hazardous flood-producing storms, seasonal flood/draught conditions, and fresh water resource assessments. The GPM mission will expand the scope of precipitation measurement through the use of a constellation of some 9 satellites, one of which will be an advanced TRMM-like "core" satellite carrying a dual-frequency Ku-Ka band precipitation radar and an advanced, multifrequency passive microwave radiometer with vertical-horizontal polarization discrimination. The other constellation members will include new dedicated satellites and co-existing Operational/research satellites carrying similar (but not identical) passive microwave radiometers. The goal of the constellation is to achieve approximately 3-hour sampling at any spot on the globe. The constellation's orbit architecture will consist of a mix of sun-synchronous and non-sun-synchronous satellites with the core satellite providing measurements of cloud-precipitation microphysical processes plus calibration-quality rainrate retrievals to be used with the other retrieval information to ensure bias-free constellation coverage. GPM is organized internationally, currently involving a partnership between NASA in the US and the National Space Development Agency in Japan. Additionally, the program is actively pursuing agreements with other international partners and domestic scientific agencies and institutions, as well as participation by individual scientists from academia, government, and the private sector to fulfill mission goals and to pave the way for what ultimately is expected to become an internationally-organized operational global precipitation observing system. Notably, the broad societal applications of GPM are reflected in the United Nation s identification of this mission as a foremost candidate for its Peaceful Uses of Space Program. In this presentation, an overview of the GPM mission design will be presented, followed by an explanation of its scientific agenda as an outgrowth of making improvements in rain retrieval accuracy, microphysics dexterity, sampling frequency, and global coverage. All of these improvements offer new means to observe variability in precipitation and water cycle fluxes and to achieve improved predictability of weather, climate, and hydrometeorology. Specifically, the scientific agenda of GPM has been designed to leverage the measurement improvements to improve prognostic model performance, particularly quantitative precipitation forecasting and its linked phenomena at short, intermediate, and extended time scales. The talk will address how GPM measurements will enable better detection of accelerations and decelerations in regional and global water cycle processes and their relationship to climate variability, better impacts of precipitation data assimilation on numerical weather prediction and global climate reanalysis, and better performance from basin scale hydrometeorological models for short and long term flood-drought forecasting and seasonal fresh water resource assessment. Improved hydrometeorological forecasting will be possible by using continuous global precipitation observations to obtain better closure in water budgets and to generate more realistic forcing of the models themselves to achieve more accurate estimates of interception, infiltration, evaporation/transpiration fluxes, storage, and runoff.

Smith, Eric A.↗

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with the Mongird et al. paper entitled "Can US power grid expansion avoid prime agricultural lands?" and is organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSIxRP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_rp_score_raster.tif solar_msi_rp_score_raster.tif wind_msi_rp_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture↗

MATRIX-VBS (v1.0): Implementing an Evolving Organic Aerosol Volatility in an Aerosol Microphysics Model

The gas-particle partitioning and chemical aging of semi-volatile organic aerosol are presented in a newly developed box model scheme, where its effect on the growth, composition, and mixing state of particles is examined. The volatility-basis set (VBS) framework is implemented into the aerosol microphysical scheme MATRIX (Multiconfiguration Aerosol TRacker of mIXing state), which resolves mass and number aerosol concentrations and in multiple mixing-state classes. The new scheme, MATRIX-VBS, has the potential to significantly advance the representation of organic aerosols in Earth system models by improving upon the conventional representation as non-volatile particulate organic matter, often also with an assumed fixed size distribution. We present results from idealized cases representing Beijing, Mexico City, a Finnish forest, and a southeastern US forest, and investigate the evolution of mass concentrations and volatility distributions for organic species across the gas and particle phases, as well as assessing their mixing state among aerosol populations. Emitted semi-volatile primary organic aerosols evaporate almost completely in the intermediate-volatility range, while they remain in the particle phase in the low-volatility range. Their volatility distribution at any point in time depends on the applied emission factors, oxidation by OH radicals, and temperature. We also compare against parallel simulations with the original scheme, which represented only the particulate and non-volatile component of the organic aerosol, examining how differently the condensed-phase organic matter is distributed across the mixing states in the model. The results demonstrate the importance of representing organic aerosol as a semi-volatile aerosol, and explicitly calculating the partitioning of organic species between the gas and particulate phases.

volatility-basis set↗

AMMPER: a user-friendly agent-based model that recapitulates simple metabolic responses of yeast to deep-space radiation

For humans venturing to deep space, radiation exposure poses a major health risk. Fundamental research into the biological effects of space radiation are essential for enabling exploration, and the first experimental organisms we send to deep space will be microbial. Yet there are many ways in which microorganisms are likely to experience the effects of high-energy particle radiation (such as Galactic Cosmic Rays) differently from multicellular animals, partly due to the simple fact that microbes are small and unicellular-- less likely to get hit in the first place, and less likely to communicate damage between cells. Computational modeling can aid in designing experiments and predicting the biological effects of radiation, but thus far particle radiation models have not focused on microbes. Here we present the latest developments in AMMPER, the Agent-based Model for Microbial Populations Exposed to Radiation. Originally written in 2021, AMMPER is a Python-based model that incorporates radiation track data from NASA's RITRACKS software and simulates the growth, damage, and death of yeast cells in 3D. It is now freely available as an open-source package on NASA's GitHub repository. Recent improvements include the ability to simulate the dynamics of alamarBlue, a color-changing redox dye commonly used to track metabolic activity in microbial spaceflight experiments. We demonstrate that a simple blue-pink-clear transition model is able to recapitulate key features observed in empirical data from ground studies. AMMPER also includes a new graphical user interface and introductory tutorial to facilitate ease of use by a wider audience. AMMPER can help us to understand how spatially heterogeneous particle radiation damage at the single-cell level can translate to growth differences at the population level, ultimately allowing us to better interpret experiments using microbes as model organisms and how well their results apply to humans.

yeast↗

In-situ/operando X-ray absorption spectroscopic investigation of the electrode/electrolyte interface on the molecular scale

A method for performing X-ray absorption spectroscopy (XAS) in the soft X-ray region was developed to investigate the surface-sensitive electron signal of electrode/electrolyte interfaces in common multivalent based organic solvents under in situ/operando conditions. Our approach enables us to probe the molecular-scale structure of electrode interfaces by measuring total electron yield and is suitable for redox systems exhibiting low intrinsic electrochemical current. In-situ F K-edge XAS measurements in a 0.5 M Magnesium bis(trifluoromethanesulfonimide)/2-Methyltetrahydrofuran (Mg(TFSI) 2 /2-MeTHF) electrolyte were carried out to determine the evolution of interfacial species during the electrochemical charging/discharging process. Time-dependent density-functional theory (TD-DFT) simulation indicate that the F K-edge evolution is the result of interfacial chemical environment change driven by electrochemical potential. In addition, we performed the “operando XAS” which runs the CV and collects spectra simultaneously. Furthermore, by using this method, the non-equilibrium state of condensed matter interfaces and interfacial dynamical transient process can be revealed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗