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At least 469 records · Page 26

Integration of pH Control into Chi.Bio Reactors and Demonstration with Small-Scale Enzymatic Poly(ethylene terephthalate) Hydrolysis

Small-scale bioreactors that are affordable and accessible would be of major benefit to the research community. In previous work, an open-source, automated bioreactor system was designed to operate up to the 30 mL scale with online optical monitoring, stirring, and temperature control, and this system, dubbed Chi.Bio, is now commercially available at a cost that is typically 1–2 orders of magnitude less than commercial bioreactors. In this work, we further expand the capabilities of the Chi.Bio system by enabling continuous pH monitoring and control through hardware and software modifications. For hardware modifications, we sourced low-cost, commercial pH circuits and made straightforward modifications to the Chi.Bio head plate to enable continuous pH monitoring. For software integration, we introduced closed-loop feedback control of the pH measured inside the Chi.Bio reactors and integrated a pH-control module into the existing Chi.Bio user interface. We demonstrated the utility of pH control through the small-scale depolymerization of the synthetic polyester, poly(ethylene terephthalate) (PET), using a benchmark cutinase enzyme, and compared this to 250 mL bioreactor hydrolysis reactions. The results in terms of PET conversion and rate, measured both by base addition and product release profiles, are statistically equivalent, with the Chi.Bio system allowing for a 20-fold reduction of purified enzyme required relative to the 250 mL bioreactor setup. Through inexpensive modifications, the ability to conduct pH control in Chi.Bio reactors widens the potential slate of biochemical reactions and biological cultivations for study in this system, and may also be adapted for use in other bioreactor platforms.

09 BIOMASS FUELS↗

Technical descriptions of the experimental dynamical downscaling simulations over North America by the CAM–MPAS variable-resolution model

Abstract. Comprehensive assessment of climate datasets is important for communicating model projections and associated uncertainties to stakeholders. Uncertainties can arise not only from assumptions and biases within the model but also from external factors such as computational constraint and data processing. To understand sources of uncertainties in global variable-resolution (VR) dynamical downscaling, we produced a regional climate dataset using the Model for Prediction Across Scales (MPAS; dynamical core version 4.0) coupled to the Community Atmosphere Model (CAM; version 5.4), which we refer to as CAM–MPAS hereafter. This document provides technical details of the model configuration, simulations, computational requirements, post-processing, and data archive of the experimental CAM–MPAS downscaling data. The CAM–MPAS model is configured with VR meshes featuring higher resolutions over North America as well as quasi-uniform-resolution meshes across the globe. The dataset includes multiple uniform- (240 and 120 km) and variable-resolution (50–200, 25–100, and 12–46 km) simulations for both the present-day (1990–2010) and future (2080–2100) periods, closely following the protocol of the North American Coordinated Regional Climate Downscaling Experiment. A deviation from the protocol is the pseudo-warming experiment for the future period, using the ocean boundary conditions produced by adding the sea surface temperature and sea-ice changes from the low-resolution version of the Max Planck Institute Earth System Model (MPI-ESM-LR) in the Coupled Model Intercomparison Project Phase 5 to the present-day ocean state from a reanalysis product. Some unique aspects of global VR models are evaluated to provide background knowledge to data users and to explore good practices for modelers who use VR models for regional downscaling. In the coarse-resolution domain, strong resolution sensitivity of the hydrological cycles exists over the tropics but does not appear to affect the midlatitude circulations in the Northern Hemisphere, including the downscaling target of North America. The pseudo-warming experiment leads to similar responses of large-scale circulations to the imposed radiative and boundary forcings in the CAM–MPAS and MPI-ESM-LR models, but their climatological states in the historical period differ over various regions, including North America. Such differences are carried to the future period, suggesting the importance of the base state climatology. Within the refined domain, precipitation statistics improve with higher resolutions, and such statistical inference is verified to be negligibly influenced by horizontal remapping during post-processing. Limited (≈50 % slower) throughput of the current code is found on a recent many-core/wide-vector high-performance computing system, which limits the lengths of the 12–46 km simulations and indirectly affects sampling uncertainty. Our experience shows that global and technical aspects of the VR downscaling framework require further investigations to reduce uncertainties for regional climate projection.

58 GEOSCIENCES↗

Watershed-scale liming reveals the short- and long- term effects of pH on the forest soil microbiome and carbon cycling

Soil microbial community composition routinely correlates with pH, reflecting both direct pH effects on microbial physiology and long-term biogeochemical feedbacks. For this work, we used two watershed-scale liming experiments to identify short- (2 years) and long-term (25 years) changes in the structure and function of bacterial and fungal communities in organic horizons (O e and O a ) of acid forest soils. Liming increased soil pH, extractable calcium, and soil carbon stocks, reduced biomass-specific respiration, and caused major changes in the soil microbiome in the short and long term. More taxa responded to liming in the short term (70%) than in the long term (30%), with most showing consistent directional responses at both sites. The ratio of change in relative abundance between limed and reference sites was twofold higher at the long than the short-term site, indicating that the effects of liming grew over time. Liming impacts were most pronounced in fungi, as steep declines of dominant ectomycorrhizal fungi ( Cenococcum and Russula ) occurred at both sites. Liming favoured neutrophilic bacteria over acidophilic populations according to estimated environmental pH optima. Collectively, these results demonstrate that a liming-induced change of one pH unit has an immediate and persistent effect on the structure and function of microbial communities in acid forest soils. The corresponding suppression of respiration indicates that anthropogenic alterations of soil pH, as driven by acid deposition or liming, can affect forest floor C stocks due to pH-driven shifts in community structure.

54 ENVIRONMENTAL SCIENCES↗

Earth Radiation Imbalance from a Constellation of 66 Iridium Satellites: Climate Science Aspects

The "global warming hiatus" since the 1998 El Nino, highlighted by Meehl et al., and the resulting "missing energy" problem highlighted by Trenberth et al., has opened the door to a more fundamental view of climate change than mere surface air temperature. That new view is based on two variables which are strongly correlated: the rate of change of ocean heat content d(OHC)/dt; and Earth Radiation Imbalance (ERI) at the top of the atmosphere, whose guesstimated range is 0.4 to 0.9 Watts per square meters (this imbalance being mainly due to increasing CO2). The Argo float array is making better and better measurements of OHC. But existing satellite systems cannot measure ERI to even one significant digit. So, climate model predictions of ERI are used in place of real measurements of it, and the satellite data are tuned to the climate model predictions. Some oceanographers say "just depend on Argo for understanding the global warming hiatus and the missing energy", but we don't think this is a good idea because d(OHC)/dt and ERI have different time scales and are never perfectly correlated. We think the ERB community needs to step up to measuring ERI correctly, just as oceanographers have deployed Argo to measure OHC correctly. This talk will overview a proposed constellation of 66 Earth radiation budget instruments, hosted on Iridium satellites, that will actually be able to measure ERI to at least one significant digit, thus enabling a crucial test of climate models. This constellation will also be able to provide ERI at two-hourly time scales and 500-km spatial scales without extrapolations from uncalibrated narrowband geostationary instruments, using the highly successful methods of GRACE to obtain spatial resolution. This high time resolution would make ERI a synoptic variable like temperature, and allow studies of ERI's response to fast-evolving phenomena like dust storms and hurricanes and even brief excursions of Total Solar Irradiance. Time permitting, we will also discuss the emerging view of clear vs. cloudy and its implications for the traditional ERB approach.

Wiscombe, W.↗

Optimizing DOE Opportunities to Research Land–Atmosphere Interactions in the U.S. Southeast (Workshop Report)

The southeastern United States (Southeast), with its complex and varied environments, is an area of tremendous economic, ecological, and societal importance to the country. The region is characterized by heterogeneous landscapes (i.e., geology and soil type) and a long history of human land use coupled with a warm temperature regime and high precipitation. As a result, soil erosion and deposition are pronounced, vegetation recovery is rapid, and human modification is extensive across the region. To better understand land–atmosphere interactions in this important and complex region, research communities supported by the U.S. Department of Energy’s Biological and Environmental Research (BER) program identified the Southeast as a priority region of interest. In fall 2024, the third Atmospheric Radiation Measurement Mobile Facility (AMF3), one of three mobile monitoring facilities designed to collect atmospheric and climate data from undersampled regions around the world, will begin operations in northwestern Alabama’s Bankhead National Forest (BNF). The AMF3-BNF 5-year deployment, from 2024–2029, will monitor the effects of feedbacks among aerosols, clouds, and precipitation on plant physiology and canopy-scale fluxes. It will also focus on scale aggregation to resolve the role of local forcing on larger-scale processes. To enable broader AMF3 involvement by the science community, the BER Environmental System Science (ESS) program organized the Southeast Land– Atmosphere Research Opportunities (SELARO) workshop in August 2023. The purpose was to identify gaps in scientific understanding of terrestrial processes in the Southeast (defined as states bounded by the Gulf of Mexico to the south, the Atlantic Ocean to east, the Mississippi River to the west, and extending through Tennessee and North Carolina to the north) and explore opportunities to use the AMF3-BNF deployment to coordinate and leverage research efforts across the region. Many parts of the Southeast have experienced repeated anthropogenic forcings. Farming, hunting, burning, and settlement of the region by Indigenous Peoples first shaped the distribution of plant communities, which in turn influenced European colonization patterns. Timber harvesting was common during the expansion of European settlements, and production forestry continues today. Agricultural production was extensive and then waned through the 20th century, creating a period of afforestation following agricultural abandonment. Today, many formerly agricultural landscapes are undergoing rapid urbanization and suburbanization. Overlying these patterns of anthropogenic land use are frequent disturbances from hurricanes, tornadoes, wildfires, drought, flooding, ice storms, and the occasional blizzard. An additional characteristic of the Southeast is its overall landscape complexity. Unlike the western United States, where broad expanses may share similar characteristics, Southeast topography, drainage patterns, vegetation, and development patterns vary widely across relatively small spatial scales (<1 km). This is due to the region’s underlying geology and soil development, species biodiversity patterns, and land ownership and use coupled with strong forces of erosion, weathering, and rapid plant growth in the warm, wet climate.

54 ENVIRONMENTAL SCIENCES↗

Improving Sanitation and Health in Rural Alaska

In rural Alaskan communities personal health is threatened by energy costs and limited access to clean water, wastewater management, and adequate nutrition. Fuel-­‐based energy systems are significant factors in determining local accessibility to clean water, sanitation and food. Increasing fuel costs induce a scarcity of access and impact residents' health. The University of Alaska Fairbanks (UAF) School of Natural Resources and Agricultural Sciences (SNRAS), NASA's Ames Research Center, and USDA Agricultural Research Service (ARS) have joined forces to develop high‐efficiency, low­‐energy consuming techniques for water treatment and food production in rural circumpolar communities. Methods intended for exploration of space and establishment of settlements on the Moon or Mars will ultimately benefit Earth's communities in the circumpolar north. The initial phase of collaboration is completed. Researchers from NASA Ames Research Center and SNRAS, funded by the USDA­‐ARS, tested a simple, reliable, low-energy sewage treatment system to recycle wastewater for use in food production and other reuse options in communities. The system extracted up to 70% of the water from sewage and rejected up to 92% of ions in the sewage with no carryover of toxic effects. Biological testing showed that plant growth using recovered water in the nutrient solution was equivalent to that using high‐purity distilled water. With successful demonstration that the low energy consuming wastewater treatment system can provide safe water for communities and food production, the team is ready to move forward to a full‐scale production testbed. The SNRAS/NASA team (including Alaska students) will design a prototype to match water processing rates and food production to meet rural community sanitation needs and nutritional preferences. This system would be operated in Fairbanks at the University of Alaska through SNRAS. Long­‐term performance will be validated and operational needs of the system determined. The testbed will be a part of the university education and operator training program. The "Forgotten Alaska" has long awaited this technology to augment the traditional

Plant Growth↗

FORGE: Pre-Training Open Foundation Models for Science

Large language models (LLMs) are poised to revolutionize the way we conduct scientific research. However, both model complexity and pre-training cost are impeding effective adoption for the wider science community. Identifying suitable scientific use cases, finding the optimal balance between model and data sizes, and scaling up model training are among the most pressing issues that need to be addressed. In this study, we provide practical solutions for building and using LLM-based foundation models targeting scientific research use cases. We present an end-to-end examination of the effectiveness of LLMs in scientific research, including their scaling behavior and computational requirements on Frontier, the first Exascale supercomputer. We have also developed for release to the scientific community a suite of open foundation models called FORGE with up to 26B parameters using 257B tokens from over 200M scientific articles, with performance either on par or superior to other state-of-the-art comparable models. We have demonstrated the use and effectiveness of FORGE on scientific downstream tasks. Our research establishes best practices that can be applied across various fields to take advantage of LLMs for scientific discovery.

Yin, Junqi↗

The FEWSION for Community Resilience (F4R) Process: Building Local Technical and Social Capacity for Critical Supply Chain Resilience

Local business leaders, policy makers, elected officials, city planners, emergency managers, and private citizens are responsible for, and deeply affected by, the performance of critical supply chains and related infrastructures. At the center of critical supply chains is the food-energy-water nexus (FEW); a nexus that is key to a community’s wellbeing, resilience, and sustainability. In the 21st century, managing a local FEW nexus requires accurate data describing the function and structure of a community’s supply chains. However, data is not enough; we need data-informed conversation and technical and social capacity building among local stakeholders to utilize the data effectively. There are some resources available at the mesoscale and for food, energy, or water, but many communities lack the data and tools needed to understand connections and bridge the gaps between these scales and systems. As a result, we currently lack the capacity to manage these systems in small and medium sized communities where the vast majority of people, decisions, and problems reside. This study develops and validates a participatory citizen science process for FEW nexus capacity building and data-driven problem solving in small communities at the grassroots level. The FEWSION for Community Resilience (F4R) process applies a Public Participation in Scientific Research (PPSR) framework to map supply chain data for a community’s FEW nexus, to identify the social network that manages the nexus, and then to generate a data-informed conversation among stakeholders. F4R was piloted and co-developed with participants over a 2-year study, using a design-based research process to make evidence-based adjustments as needed. Results show that the F4R model was successful at improving volunteers’ awareness about nexus and supply chain issues, at creating a network of connections and communication with stakeholders across state, regional, and local organizations, and in facilitating data-informed discussion about improvements to the system. In this paper we describe the design and implementation of F4R and discuss four recommendations for the successful application of the F4R model in other communities: 1) embed opportunities for co-created PPSR, 2) build social capital, 3) integrate active learning strategies with user-friendly digital tools, and 4) adopt existing materials and structure.

54 ENVIRONMENTAL SCIENCES↗

Adapting CLUTCH methodology to multigroup TSUNAMI-3D for eigenvalue sensitivity calculations

The sensitivity of the eigenvalue to uncertainties in nuclear data and its evaluation are important for nuclear criticality safety. TSUNAMI-3D sequences within the SCALE code system offer several options to the user community for calculating eigenvalue sensitivity coefficients with multigroup (MG) and continuous energy (CE) 3D transport capabilities. TSUNAMI-3D sequences implement the adjoint-based perturbation theory with MG KENO code, the Contributon Linked eigenvalue sensitivity/Uncertainty estimation via Track length importance CHaracterization (CLUTCH) method with CE KENO code, and the Iterated Fission Probability (IFP) method with CE KENO and Shift codes. Each method has benefits and limitations depending on the problem that is run. The work presented here aims to adapt the CLUTCH method, which enables the Contributon method's mesh-free, memory-efficient approach for calculating adjoint-weighted tallies for sensitivity calculations, to the MG TSUNAMI-3D sequence. This application would eliminate the explicit adjoint KENO calculation, as well as the memory-consuming mesh flux moment tallies required by the conventional MG TSUNAMI-3D. Smaller memory footprints in the CLUTCH methodology and relatively shorter runtimes in MG KENO transport can make MG TSUNAMI-3D a viable method for some complex problems. Moreover, this adaptation allows MG sensitivity calculations with Shift, ORNL's next-generation high-performance Monte Carlo transport code, which currently does not offer any sensitivity capabilities with MG particle transport simulations. Initial implementation of the new MG TSUNAMI-3D sequence and its preliminary results with a selected critical benchmark experiment in the Verified, Archived Library of Inputs and Data (VALID) are presented in this study.

KENO↗

Deforestation strengthens atmospheric transport of mineral dust and phosphorus from North Africa to the Amazon

Phosphorus contained in atmospheric mineral dust aerosol originating from Africa fertilizes tropical forests in Amazonia. However, the mechanisms influencing this nutrient transport pathway remain poorly understood. Here we use the Community Earth System Model to investigate how large-scale deforestation affects mineral dust aerosol transport and deposition in the tropics. We find that the surface biophysical changes that accompany deforestation produce a warmer, drier and windier surface environment that perturbs atmospheric circulation and enhances long-range dust transport from North Africa to the Amazon. Tropics-wide deforestation weakens the Hadley circulation, which in turn, leads to a northward expansion of the Hadley cell and increases surface air pressure over the Sahara Desert. Additionally, the high pressure anomaly over the Sahara, in turn, increases northeasterly winds across North Africa and the tropical North Atlantic Ocean, which subsequently increases dust transport to the South America continent. We estimate that the annual atmospheric phosphorus deposition from dust significantly increases by 27% (P < 0.01) in the Amazon under a scenario of complete deforestation. These interactions exemplify how land surface changes can modify tropical nutrient cycling, which in turn, may have consequences for long-term changes in tropical ecosystem productivity and biodiversity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-Scale Land-Atmosphere Interactions: Modeling Convective Processes from Plants to Planet

Research accomplishments include: 1)Two case studies of the effects of heterogeneous soil moisture and surface energy budgets on organization and propagation of convective precipitation during MC3E. 2) Development and evaluation of a new approach for simulating the effect of heterogeneous soil moisture at ARM-SGP using an innovative modeling approach. 3) Investigation of the effects of spatial coupling scale using multidecade global simulations in CESM with the multiscale modeling framework. 4) Exploration of changes to future precipitation intensity resulting from two different climate change scenarios using the multiscale model. 5) Provision of the new cloud-scale coupled multiscale Earth System Model to the larger community through the CESM process.

54 ENVIRONMENTAL SCIENCES↗

Potential Risks Associated with Short-Term Hydrogen Storage in Methane Reservoirs

Hydrogen (H2) has been identified as a flexible energy carrier with zero emissions. It is possible to utilize H2 by storing Hyblend, or H2 blended with CH4, in existing natural gas infrastructure. However, the compatibility of adapting the current CH4 storage strategies to include H2 injection has not been fully demonstrated. It is essential that we understand the impact of H2 gas on the naturally occurring microbial community of subsurface storage reservoirs before deploying large-scale H2-CH4 storage. We designed a series of experiments that allowed us to identify potential challenges of HyBlend Storage in existing methane reservoirs (Figure 1). First, we characterized two field fluid samples from a methane reservoir located in Western United States. Next, we used these samples to complete a series of short-term reactor experiments at reservoir conditions for a natural gas (100% CH4) and HyBlend (80% CH4/20% H2) storage environment.

geomicrobiology↗

3D Cloud Aerosol Precipitation Experiment at kennaook Cape Grim (3D-CAPE-k) Field Campaign Report

The objective of this campaign was to complement the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s Cloud And Precipitation Experiment at kennaook (CAPE-k) in northwest Tasmania by deploying scanning, fixed pointing angle, and in situ aerosol, cloud, and precipitation remote-sensing instruments during the last six months of the experiment. These instruments provided a three-dimensional (3D) context to the second ARM Mobile Facility (AMF2) vertically pointing observations collected at the kennaook Cape Grim (KCG) site and captured a portion of the life cycle of the clouds before and after the passage over the AMF2 vertical column. These 3D cloud measurements will be used in the near future to 1) investigate how the vertical profiles of aerosol and cloud properties are representative of the broader area and how these properties evolve during the portion of the cloud life cycle captured by the scanning instruments, 2) quantify how accurate the cloud fraction derived with assumptions from vertically pointing observations are compared with direct 3D cloud fraction measurements, 3) evaluate cloud fraction and liquid water path in the Australian Community Climate and Earth-System Simulator–Convective-scale (ACCESS-C) forecast model, and 4) evaluate aerosol and cloud products from the European Space Agency/Japanese Aerospace Exploration Agency (ESA/JAXA) Earth Cloud Aerosol Radiation Explorer (EarthCARE) mission using the scanning measurements, offering more chances of exact collocation, thereby complementing the statistical approach we are planning to employ with AMF2 observations for that same purpose.

54 ENVIRONMENTAL SCIENCES↗

Integration of Computational Docking into Anti-Cancer Drug Response Prediction Models

Cancer is a heterogeneous disease in that tumors of the same histology type can respond differently to a treatment. Anti-cancer drug response prediction is of paramount importance for both drug development and patient treatment design. Although various computational methods and data have been used to develop drug response prediction models, it remains a challenging problem due to the complexities of cancer mechanisms and cancer-drug interactions. To better characterize the interaction between cancer and drugs, we investigate the feasibility of integrating computationally derived features of molecular mechanisms of action into prediction models. Specifically, we add docking scores of drug molecules and target proteins in combination with cancer gene expressions and molecular drug descriptors for building response models. The results demonstrate a marginal improvement in drug response prediction performance when adding docking scores as additional features, through tests on large drug screening data. We discuss the limitations of the current approach and provide the research community with a baseline dataset of the large-scale computational docking for anti-cancer drugs.

60 APPLIED LIFE SCIENCES↗

Mass and Momentum Turbulent Transport Experiments

An experimental study of mixing downstream of axial and swirling coaxial jets is being conducted to obtain data for the evaluation and improvement of turbulent transport models currently employed in a variety of computational procedures used throughout the propulsion community. Effort was directed toward the acquisition of length scale and dissipation rate data that will provide more accurate inlet boundary conditions for the computational procedures and a data base to evaluate the turbulent transport models in the near jet region where recirculation does not occur. Mass and momentum turbulent transport data with a blunt inner-jet inlet configuration will also be acquired.

Johnson, B. V.↗

Mutual Inductance Problem for a System Consisting of a Current Sheet and a Thin Metal Plate

Rapid inspection of aircraft structures for flaws is of vital importance to the commercial and defense aircraft industry. In particular, inspecting thin aluminum structures for flaws is the focus of a large scale R&D effort in the nondestructive evaluation (NDE) community. Traditional eddy current methods used today are effective, but require long inspection times. New electromagnetic techniques which monitor the normal component of the magnetic field above a sample due to a sheet of current as the excitation, seem to be promising. This paper is an attempt to understand and analyze the magnetic field distribution due to a current sheet above an aluminum test sample. A simple theoretical model, coupled with a two dimensional finite element model (FEM) and experimental data will be presented in the next few sections. A current sheet above a conducting sample generates eddy currents in the material, while a sensor above the current sheet or in between the two plates monitors the normal component of the magnetic field. A rivet or a surface flaw near a rivet in an aircraft aluminum skin will disturb the magnetic field, which is imaged by the sensor. Initial results showed a strong dependence of the flaw induced normal magnetic field strength on the thickness and conductivity of the current-sheet that could not be accounted for by skin depth attenuation alone. It was believed that the eddy current imaging method explained the dependence of the thickness and conductivity of the flaw induced normal magnetic field. Further investigation, suggested the complexity associated with the mutual inductance of the system needed to be studied. The next section gives an analytical model to better understand the phenomenon.

Fulton, J. P.↗

Urban Landscape Characterization Using Remote Sensing Data For Input into Air Quality Modeling

The urban landscape is inherently complex and this complexity is not adequately captured in air quality models that are used to assess whether urban areas are in attainment of EPA air quality standards, particularly for ground level ozone. This inadequacy of air quality models to sufficiently respond to the heterogeneous nature of the urban landscape can impact how well these models predict ozone pollutant levels over metropolitan areas and ultimately, whether cities exceed EPA ozone air quality standards. We are exploring the utility of high-resolution remote sensing data and urban growth projections as improved inputs to meteorological and air quality models focusing on the Atlanta, Georgia metropolitan area as a case study. The National Land Cover Dataset at 30m resolution is being used as the land use/land cover input and aggregated to the 4km scale for the MM5 mesoscale meteorological model and the Community Multiscale Air Quality (CMAQ) modeling schemes. Use of these data have been found to better characterize low density/suburban development as compared with USGS 1 km land use/land cover data that have traditionally been used in modeling. Air quality prediction for future scenarios to 2030 is being facilitated by land use projections using a spatial growth model. Land use projections were developed using the 2030 Regional Transportation Plan developed by the Atlanta Regional Commission. This allows the State Environmental Protection agency to evaluate how these transportation plans will affect future air quality.

Quattrochi, Dale A.↗