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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A comprehensive study of the radiative properties of NO—a first step toward a complete air opacity

Here, in this paper we propose a methodology to calculate the radiative properties of the diatomic molecular constituents of air, and utilize the present approach to model the radiative properties of nitrogen monoxide, NO. We also investigate the important physics involved in calculating accurate radiative quantities for air, such as the Planck and Rosseland mean opacities, and emission and absorption coefficients, as well as the couplings accounted for in rovibrational calculations. Complete active space self-consistent field multi-reference configuration interaction (CAS-MRCI) calculations were performed in order to model the NO X 2 Π, a 4 Π, b 4 Σ - , 1 2 Σ + , 2 2 Σ + , 3 2 Σ + , G 2 Σ - , B' 2 Δ, (C, B) 2 2 Π, (H', L) 3 2 Π, and 1 2 Φ adiabatic states, and calculate the respective molecular data. The γ X 2 Π - A 2 Σ + , ε X 2 Π - D 2 Σ + , β' X 2 Π - B' 2 Δ, '11 000 Å' A 2 Σ + - D 2 Σ + , 'infrared' X 2 Π - X 2 Π and X 2 Π - (C, B) 2 2 Π (δ and β) band systems are investigated in monochromatic spectra calculations, as well as the Ogawa a 4 Π - b 4 Σ - band and several other band systems. Several conclusions are drawn, such as the importance of including the Ogawa band, which has not been included in previous air radiative models or comprehensive line-list calculations, as well as the importance of performing coupled rovibrational line-list calculations in order to accurately calculate the Rosseland means. We also found that the additional band systems modeled here contribute significantly to the total Planck and Rosseland means.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Incorporating Wind Turbine Choice in High-Resolution Geospatial Supply Curve and Capacity Expansion Models

To achieve national decarbonization goals, U.S. annual deployment of wind energy will need to increase by at least fivefold compared to the recent past. Modeling and analysis frameworks can help inform where and how wind energy deployment might occur and thereby help enable the achievement of decarbonization goals. However, most prior wind energy modeling and analysis studies rely on generalized representations of wind energy technologies. Since wind energy technology advancements are expected to increase the competitiveness of wind energy, it is important to incorporate more detailed representations of turbine technology into wind energy modeling. Here we present a new method that incorporates wind turbine choice into the technology representation of land-based wind energy in long-term planning models. Our method integrates three previously published modeling and analysis capabilities: 1) bottom-up cost modeling to estimate future technology costs, 2) geospatial modeling to represent siting decisions, and 3) power sector modeling to evaluate potential deployment. We refer to this approach as a "customized turbine choice" methodology because it creates a composite turbine scenario by choosing from multiple wind turbine technologies—using site-specific optimized turbine layout and selecting the least-cost technology at each location. We demonstrate the capabilities of this new modeling pipeline by examining how the selection of four different wind turbine configurations might evolve from 2021 through 2040. Our results show that using our customized turbine choice methodology could lead to higher estimates for wind future deployment, which indicates that more simplified modeling might underestimate the role that wind energy could play in meeting decarbonization goals. Future research is needed to further explore the implications of turbine choice and to better inform technology researchers, original equipment manufacturers, and other wind industry stakeholders about the market potential of different wind turbine technologies.

17 WIND ENERGY↗
DOE OSTI2024

Modeling and design of a separate effects irradiation test targeting fission gas release from Cr-doped UO 2

Fission gas release (FGR) from nuclear fuel during operation can diminish heat transfer properties across the pellet-cladding gap and increase the fuel rod internal pressure, thereby posing a concern to fuel reliability and safety during an accident. Enlarging the fuel grain size, which has been shown to improve fission gas retention, can be achieved by doping the fuel feedstock prior to sintering. In this work, the BISON fuel performance code was used to predict FGR from undoped and chromia-doped UO 2 (referred to as Cr-doped UO 2 ) fuel specimens with different grain sizes and across various temperatures. The BISON models identified the irradiation conditions for which FGR is most significant, and a separate effects irradiation experiment in the High Flux Isotope Reactor (HFIR) was then developed targeting those conditions. Further, the experiment leveraged the MiniFuel irradiation capability at Oak Ridge National Laboratory and consisted of 12 fuel specimens of varying grain size and Cr content. A coupling scheme between BISON FGR results and the ANSYS finite element thermal model used for experiment design was formulated to predict cumulative FGR from each fuel specimen based on expected irradiation temperature histories. The fuel samples were fabricated and characterized as a part of this work, and the fuel compositions modeled in BISON were representative of the specimens used in the experiment. This combined modeling and experimental effort aims to study the effect of fuel grain size and Cr content on FGR and to provide simulated BISON FGR results that can be used for future model validation activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Reference respiratory waveforms by minimum jerk model analysis

Purpose: CyberKnife{sup ®} robotic surgery system has the ability to deliver radiation to a tumor subject to respiratory movements using Synchrony{sup ®} mode with less than 2 mm tracking accuracy. However, rapid and rough motion tracking causes mechanical tracking errors and puts mechanical stress on the robotic joint, leading to unexpected radiation delivery errors. During clinical treatment, patient respiratory motions are much more complicated, suggesting the need for patient-specific modeling of respiratory motion. The purpose of this study was to propose a novel method that provides a reference respiratory wave to enable smooth tracking for each patient. Methods: The minimum jerk model, which mathematically derives smoothness by means of jerk, or the third derivative of position and the derivative of acceleration with respect to time that is proportional to the time rate of force changed was introduced to model a patient-specific respiratory motion wave to provide smooth motion tracking using CyberKnife{sup ®}. To verify that patient-specific minimum jerk respiratory waves were being tracked smoothly by Synchrony{sup ®} mode, a tracking laser projection from CyberKnife{sup ®} was optically analyzed every 0.1 s using a webcam and a calibrated grid on a motion phantom whose motion was in accordance with three pattern waves (cosine, typical free-breathing, and minimum jerk theoretical wave models) for the clinically relevant superior–inferior directions from six volunteers assessed on the same node of the same isocentric plan. Results: Tracking discrepancy from the center of the grid to the beam projection was evaluated. The minimum jerk theoretical wave reduced the maximum-peak amplitude of radial tracking discrepancy compared with that of the waveforms modeled by cosine and typical free-breathing model by 22% and 35%, respectively, and provided smooth tracking for radial direction. Motion tracking constancy as indicated by radial tracking discrepancy affected by respiratory phase was improved in the minimum jerk theoretical model by 7.0% and 13% compared with that of the waveforms modeled by cosine and free-breathing model, respectively. Conclusions: The minimum jerk theoretical respiratory wave can achieve smooth tracking by CyberKnife{sup ®} and may provide patient-specific respiratory modeling, which may be useful for respiratory training and coaching, as well as quality assurance of the mechanical CyberKnife{sup ®} robotic trajectory.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

H-Abstraction reactions by OH, HO 2 , O, O 2 and benzyl radical addition to O 2 and their implications for kinetic modelling of toluene oxidation

Here, alkylated aromatics constitute a significant fraction of the components commonly found in commercial fuels. Toluene is typically considered as a reference fuel. Together with n-heptane and iso-octane, it allows for realistic emulations of the behavior of real fuels by the means of surrogate mixture formulations. Moreover, it is a key precursor for the formation of poly-aromatic hydrocarbons, which are of relevance to understanding soot growth and oxidation mechanisms. In this study the POLIMI kinetic model is first updated based on the literature and on recent kinetic modelling studies of toluene pyrolysis and oxidation. Then, important reaction pathways are investigated by means of high-level theoretical methods, thereby advancing the present knowledge on toluene oxidation. H-Abstraction reactions by OH, HO 2 , O and O 2 , and the reactivity on the multi well benzyl-oxygen (C 6 H 5 CH 2 + O 2 ) potential energy surface (PES) were investigated using electronic structure calculations, transition state theory in its conventional, variational, and variable reaction coordinate forms (VRC-TST), and master equation calculations. Exploration of the effect on POLIMI model performance of literature rate constants and of the present calculations provides valuable guidelines for implementation of the new rate parameters in existing toluene kinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

TU-CD-304-07: Intensity Modulated Electron Beam Therapy Employing Small Fields in Virtual Scanning Mode

Purpose: Dynamic electron radiation therapies such as dynamic electron arc radiotherapy (DEAR) utilize small fields to provide target conformity and fluence modulation. The purpose of this study is to demonstrate the feasibility of virtual scanning mode using small fields. Methods: Monte Carlo simulations (EGSnrc/BEAMnrc/DOSXYZnrc) were performed using validated Varian TrueBeam phase space files for electron beam energies of 6, 9, 12, and 16 MeV and square/circular fields (1×1/1, 2×2/2, 3×3/3, 4×4/4, 5×5/5 cm{sup 2}/cm diameter). Resulting dose distributions (kernels) were used for subsequent calculations. The following analyses were performed: (1) Comparison of composite square fields and reference 10×10 cm{sup 2} dose distributions and (2) Scanning beam deliveries for square and circular fields realized as the convolution of kernels and scanning pattern. Preliminary beam weight and pattern optimization were also performed. Two linear scans of 10 cm with/without overlap were modeled. Comparison metrics included depth and orthogonal profiles at dmax. Results: (1) Composite fields regained reference depth dose profiles for most energies and fields within 5%. Smaller kernels and higher energies increased dose in the build-up and Bremsstrahlung region (30%, 16MeV and 1×1 cm{sup 2}), while reference dmax was maintained for all energies and composite fields. Smaller kernels (<2×2 cm{sup 2}) maintained penumbra and field size within 0.2 cm, and flatness within 2%. Deterioration of penumbra for larger kernels (5×5 cm{sup 2}) were observed. Balancing desirable dosimetry and efficiencies suggests that smaller kernels are used at edges and larger kernels in the center of the target. (2) Beam weight optimization improved cross-plane penumbra (0.2 cm) and increased the field size (0.4 cm) on average. In-plane penumbra and field size remained unchanged. Overlap depended on kernel size and optimal overlap resulted in flatness ±2%. Conclusion: Dynamic electron beam therapy in virtual scanning mode is feasible by employing small fields to achieve desired dose distributions and acceptable efficiencies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex

The entry of the SARS-CoV-2, a causative agent of COVID-19, into human host cells is mediated by the SARS-CoV-2 spike (S) glycoprotein, which critically depends on the formation of complexes involving the spike protein receptor-binding domain (RBD) and the human cellular membrane receptor angiotensin-converting enzyme 2 (hACE2). Using classical site density functional theory (SDFT) and structural bioinformatics methods, we investigate binding and conformational properties of these complexes and study the overlooked role of water-mediated interactions. Analysis of the three-dimensional reference interaction site model (3DRISM) of SDFT indicates that water mediated interactions in the form of additional water bridges strongly increases the binding between SARS-CoV-2 spike protein and hACE2 compared to SARS-CoV-1-hACE2 complex. By analyzing structures of SARS-CoV-2 and SARS-CoV-1, we find that the homotrimer SARS-CoV-2 S receptor-binding domain (RBD) has expanded in size, indicating large conformational change relative to SARS-CoV-1 S protein. Protomer with the up-conformational form of RBD, which binds with hACE2, exhibits stronger intermolecular interactions at the RBD-ACE2 interface, with differential distributions and the inclusion of specific H-bonds in the CoV-2 complex. Further interface analysis has shown that interfacial water promotes and stabilizes the formation of CoV-2/hACE2 complex. This interaction causes a significant structural rigidification of the spike protein, favoring proteolytic processing of the S protein for the fusion of the viral and cellular membrane. Moreover, conformational dynamics simulations of RBD motions in SARS-CoV-2 and SARS-CoV-1 point to the role in modification of the RBD dynamics and their impact on infectivity.

3DRISM↗
DOE OSTI2014

The Potosi Reservoir Model 2013c, Property Modeling Update

As part of a larger project co-funded by the United States Department of Energy (US DOE) to evaluate the potential of formations within the Cambro-Ordovician strata above the Mt. Simon as potential targets for carbon sequestration in the Illinois and Michigan Basins, the Illinois Clean Coal Institute (ICCI) requested Schlumberger to evaluate the potential injectivity and carbon dioxide (CO2) plume size of the Cambrian Potosi Formation. The evaluation of this formation was accomplished using wireline data, core data, pressure data, and seismic data from this project as well as two other separately funded projects: the US DOE-funded Illinois Basin–Decatur Project (IBDP) being conducted by the Midwest Geological Sequestration Consortium (MGSC) in Macon County, Illinois, and the Illinois Industrial Carbon Capture and Sequestration (ICCS) project funded through the American Recovery and Reinvestment Act. In 2010, technical performance evaluations on the Cambrian Potosi Formation were performed through reservoir modeling. The data included formation tops from mud logs, well logs from the Verification Well #1 (VW1) and the Injection Well (CCS1), structural and stratigraphic formation from three dimensional (3D) seismic data, and field data from several waste water injection wells for Potosi Formation. The intention was for 2.2 million tons per annum (2 million tonnes per annum [MTPA]) of CO2 to be injected for 20 years. In the Task Error! Reference source not found., the 2010 Potosi heterogeneous model (referred to as the "Potosi Dynamic Model 2010") was re-run using a new injection scenario of 3.5 million tons per annum (3.2 MTPA) for 30 years. The extent of the Potosi Dynamic Model 2010, however, appeared too small for the new injection target. The models size was insufficient to accommodate the evolution of the plume. The new model, Potosi Dynamic Model 2013a, was built by extending the Potosi Dynamic Model 2010 grid to 30 by 30 mi (48 by 48 km), while preserving all property modeling workflows and layering. This model was retained as the base case. In the preceding Task [1], the Potosi reservoir model was updated to take into account the new data from the Verification Well #2 (VW2) which was drilled in 2012. The porosity and permeability modeling was revised to take into account the log data from the new well. Revisions of the 2010 modeling assumptions were also done on relative permeability, capillary pressures, formation water salinity, and the maximum allowable well bottomhole pressure. Dynamic simulations were run using the injection target of 3.5 million tons per annum (3.2 MTPA) for 30 years. This dynamic model was named Potosi Dynamic Model 2013b. In this Task, a new property modeling workflow was applied, where seismic inversion data guided the porosity mapping and geobody extraction. The static reservoir model was fully guided by PorosityCube interpretations and derivations coupled with petrophysical logs from three wells. The two main assumptions are: porosity features in the PorosityCube that correlate with lost circulation zones represent vugular zones, and that these vugular zones are laterally continuous. Extrapolation was done carefully to populate the vugular facies and their corresponding properties outside the seismic footprint up to the boundary of the 30 by 30 mi (48 by 48 km) model. Dynamic simulations were also run using the injection target of 3.5 million tons per annum (3.2 MTPA) for 30 years. This new dynamic model was named Potosi Dynamic Model 2013c. Reservoir simulation with the latest model gives a cumulative injection of 43 million tons (39 MT) in 30 years with a single well, which corresponds to 40% of the injection target. The injection rate is approx. 3.2 MTPA in the first six months as the well is injecting into the surrounding vugs, and declines rapidly to 1.8 million tons per annum (1.6 MTPA) in year 3 once the surrounding vugs are full and the CO2 start to reach the matrix. After, the injection rate declines gradually to 1.2 million tons per annum (1.1 MTPA) in year 18 and stays constant. This implies that a minimum of three (3) wells could be required in the Potosi to reach the injection target. The injectivity evaluated in this Task was higher compared to the preceding Task, since the current facies modeling (guided by the porosity map from the seismic inversion) indicated a higher density of vugs within the vugular zones. 5 As the CO2 follows the paths where vugs interconnection exists, a reasonably large and irregular plume extent was created. After 30 years of injection, the plume extends 13.7 mi (22 km) in E-W and 9.7 mi (16 km) in N-S directions. After injection finishes, the plume continues to migrate laterally, mainly driven by the remaining pressure gradient. After 60 years post-injection, the plume extends 14.2 mi (22.8 km) in E-W and 10 mi (16 km) in N-S directions, and remains constant as the remaining pressure gradient has become very low. Should the targeted cumulative injection of 106 million tons (96 MT) be achieved; a much larger plume extent could be expected. The increase of reservoir pressure at the end of injection is approximately 1,200 psia (8,274 kPa) around the injector and gradually decreases away from the well. The reservoir pressure increase is less than 10 psia (69 kPa) beyond 14 mi (23 km) away from injector. Should the targeted cumulative injection of 106 million tons (96 MT) be achieved; a much larger areal pressure increase could be expected. The reservoir pressure declines rapidly during the first 30 years post injection and the initial reservoir pressure is nearly restored after 100 years post-injection. The present evaluation is mainly associated with uncertainty on the vugs permeability and interconnectivity. The use of porosity mapping from seismic inversion might have reduced the uncertainty on the lateral vugs body distributions. However, major uncertainties on the Potosi vugs permeability remains. Therefore, injection test and pressure interference test among the wells could be considered to evaluate the local vugs permeability, extent, and interconnectivity. Facies modeling within the Potosi has yet to be thoroughly addressed. The carbonates during the time of deposition are believed to be regionally extensive. However, it may be worth delineating the reservoir with other regional wells or modern day analogues to understand the extent of the Potosi. More specifically, the model could incorporate lateral changes or trends if deemed necessary to represent facies transition. Data acquisitions to characterize the fracture pressure gradient, the formation water properties, the relative permeability, and the capillary pressure could also be considered in order to allow a more rigorous evaluation of the Potosi storage performance. A simulation using several injectors could also be considered to determine the required number of wells and appropriate spacing to achieve the injection target while taking into account the pressure interference.

Adushita, Yasmin↗
DOE OSTI2018

Nuclear, Land marker for a Waste Isolation Site: International Architecture Competition - 18240

The design and construction of a nuclear waste marker must include many architectural considerations. Very little research has been conducted by architects to address this issue to date. Historically, the task of designating a nuclear waste site has been a discussion predominantly contained within the scientific and engineering communities. In an effort to engage architects within this dialogue, arch out loud hosted the NUCLEAR competition as an international, architectural investigation into the design of a nuclear waste site marker. The NUCLEAR competition asks participants to design a marker to designate the site of the Waste Isolation Pilot Plant (WIPP) located near Carlsbad, New Mexico. The marker will be meant to be a means of passive institutional controls (PICs) to deter inadvertent human intrusion upon the site and should last 10,000 years. The NUCLEAR competition defined the purpose of the nuclear waste site marker as a means to communicate the danger of inadvertent intrusion from future generations. The competition requires that entries must be both legible in communication and durable in their construction. The competition brief challenged participants to consider how customs and languages will evolve over time and to predict what motivations future generations might have for digging at the site. Other background information was provided about the site such as how waste was stored and how the unique geology of the site seals the waste. The 1993 Sandia National Laboratories report titled Expert Judgment on Markers to Deter Inadvertent Human Intrusion into the Waste Isolation Pilot Plant [1] was referenced along with the 1992 WIPP Land Withdrawal Act [2], interviews with WIPP scientists [3] involved with the WIPP PICs program and the Nuclear Energy Agency Records Knowledge and Memory working group. Competition participants were given digital 3-D Computer-Aided Design models for reference that included the underground storage portion of the site, existing buildings and the 16-square-mile site boundary identified in the 1992 WIPP Land Withdrawal Act [2]. This paper will: - Provide a detailed description of the submitted proposals including graphic analysis of the visualizations, diagrams, technical drawings, jury comments and statements. - Catalogue and identify the consistent themes within all submissions with possible categories including: 1) overall architectural form and language, 2) integration of written language and symbols within architecture, 3) use of technology and robotics, 4) construction methods and materials. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

The climatological distribution of extreme Arctic winds and implications for ocean and sea ice processes

Abstract Some of the strongest near‐surface winds on Earth form in the Arctic and sub‐Arctic due to intense midlatitude cyclones and mesoscale processes, and these strong surface winds have important impacts on ocean and sea ice processes. We examine the climatological distribution of over‐ocean, near‐surface wind speeds within a Pan‐Arctic domain for 18 years (1990–2007) in four gridded data sets: the European Centre for Medium‐Range Weather Forecasts Interim reanalysis (ERA‐I), the Climate Forecast System Reanalysis, version 2 of the Common Ocean‐Ice Reference Experiment data set, and a regional climate simulation generated using the Weather Research and Forecasting (WRF) model run at 50 km (WRF50) horizontal resolution with ERA Interim as lateral boundary conditions. We estimate probability density functions, the annual cycle, and map the 50th and 99th percentile winds. We then perform the same statistical analysis of winds for 2 years when 10 km WRF data are available (June 2005 to May 2007); despite the much shorter time period, the Pan‐Arctic statistics are very similar to those from the 18 year analysis. We repeat the wind speed statistical analysis within a subdomain surrounding Greenland and find that WRF10 has consistently larger maximum wind speeds, but this difference only appears at wind speed percentiles higher than 99%. Differences in the 99th percentile wind speeds are spatially heterogeneous. An investigation of surface fluxes within WRF50 and WRF10 reveals unrealistically large sensible heat fluxes along the sea ice edge, and the geographic distribution and magnitude of these fluxes is shown to be sensitive to sea ice representation in WRF.

Hughes, Mimi↗
DOE OSTI2020

Urbanization drives convergence in soil profile texture and carbon content

Urban development has driven extensive modification of the global landscape. This shift in land use and land cover alters ecological functioning, and thereby affects sustainable management agendas. Urbanization fundamentally reshapes the soils that underlay landscapes, and throughout the soil profile, extends impacts of urbanization far below the landscape surface. The impacts of urbanization on deeper soils that are beyond the reach of regular land management are largely unknown, and validation of general theories of convergent ecosystem properties are thwarted by a dearth of both level of measurement effort and the substantial heterogeneity in soils and urban landscapes. Here, we examined two soil properties with strong links to ecological functioning—carbon and mineral-fraction particle size—measured in urban soils, and compared them to their pre-urbanization conditions across a continental gradient encompassing global soil diversity. We hypothesized that urbanization drove convergence of soils properties from heterogeneous pre-urban conditions towards homogeneous urban conditions. Based on our observations, we confirm the hypothesis. Both soil carbon and particle size converged toward an intermediate value in the full data distribution, from pre-urban to urban conditions. These outcomes in urban soils were observed to uniformly be fine textured soils with overall lower carbon content. Although these properties are desirable for supporting urban infrastructure (e.g. buildings, pipes), they constrain the potential to render ecosystem services. Since soil profile texture and carbon content were convergent and observed across 11 cities, we suggest that these property profiles can be used as a universal urban soil profile to: 1) provide a clear prediction for how urbanization will shift soil properties from pre-urban conditions, 2) facilitate the adoption of commonly-accepted soil profiles for process models, and 3) offer a reference point to test against urban management strategies and how they impact soil resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Thermochemical Modeling in Molten Fluoride Salts for Radionuclide Speciation

An important aspect of the licensing process for nuclear reactors is providing a reasonable assurance of safety to the general public. This includes modeling potential radionuclide releases from the reactor during normal operations and accident scenarios, which is known as the reactor’s source term. A new class of advanced (non-LWR) reactors are being developed which use molten salts as the coolant fluid. Because the molten salt coolant represents a credited barrier for radionuclide transport between the fuel and the environment, a necessary aspect of mechanistic source term (MST) analysis for the KP-FHR is modeling the thermochemistry of molten salts. Provided here is a review of the theory of the thermodynamic principles governing multicomponent phase equilibria, the background of molten salt thermochemistry research, and a summary of the thermochemical data relevant to the KP-FHR coolant salt, Li 2 BeF 4 , commonly referred to as “FLiBe”. A review of literature is followed by a brief introduction to methods that can be used to model the thermochemical behavior of molten salt mixtures. The methodology outlined is based on the use of a commercial thermodynamic modeling software called FactSage, which is one of only a few available softwares based on the modified quasichemical model(MQM), which is the recommended solution model for molten salts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

A new data-driven map predicts substantial undocumented peatland areas in Amazonia

Tropical peatlands are among the most carbon-dense terrestrial ecosystems yet recorded. Collectively, they comprise a large but highly uncertain reservoir of the global carbon cycle, with wide-ranging estimates of their global area (441 025–1700 000 km 2 ) and below-ground carbon storage (105–288 Pg C). Substantial gaps remain in our understanding of peatland distribution in some key regions, including most of tropical South America. Here we compile 2413 ground reference points in and around Amazonian peatlands and use them alongside a stack of remote sensing products in a random forest model to generate the first field-data-driven model of peatland distribution across the Amazon basin. Our model predicts a total Amazonian peatland extent of 251 015 km 2 (95th percentile confidence interval: 128 671–373 359), greater than that of the Congo basin, but around 30% smaller than a recent model-derived estimate of peatland area across Amazonia. The model performs relatively well against point observations but spatial gaps in the ground reference dataset mean that model uncertainty remains high, particularly in parts of Brazil and Bolivia. For example, we predict significant peatland areas in northern Peru with relatively high confidence, while peatland areas in the Rio Negro basin and adjacent south-western Orinoco basin which have previously been predicted to hold Campinarana or white sand forests, are predicted with greater uncertainty. Similarly, we predict large areas of peatlands in Bolivia, surprisingly given the strong climatic seasonality found over most of the country. Very little field data exists with which to quantitatively assess the accuracy of our map in these regions. Data gaps such as these should be a high priority for new field sampling. This new map can facilitate future research into the vulnerability of peatlands to climate change and anthropogenic impacts, which is likely to vary spatially across the Amazon basin.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Modeling plasma toroidal flow profile control via NTV torque with n = 2 3D fields in MAST-U

Toroidal modeling utilizing the MARS-Q code shows that large (compared to electromagnetic torque) neoclassical toroidal viscous (NTV) torque can be achieved in the plasma core region in reference MAST(-U) L-mode plasmas, by applying the n=2 (n is the toroidal mode number) 3-D fields generated by the magnetic coils used for controlling the edge localized mode and/or by the error field correction coils. Large NTV torque, occurring at relatively slow plasma flow, in combination with strong variation of the torque amplitude versus the coil phasing of the 3-D coils, offers a tool to control the plasma toroidal rotation profile in spherical tokamaks. To effectively employ the toroidal NTV torque, the potentially fast initial flow needs to first be damped by 3-D fields. In conclusion, MARS-Q quasi-linear initial value simulations demonstrate that this is achievable in MAST-U, within the designed 3-D coil current capability for the device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Benchmarking carbon fluxes of the ISIMIP2a biome models

The purpose of this study is to evaluate the eight ISIMIP2a biome models against independent estimates of long-term net carbon fluxes (i.e. Net Biome Productivity, NBP) over terrestrial ecosystems for the recent four decades (1971–2010). Here, we evaluate modeled global NBP against 1) the updated global residual land sink (RLS) plus land use emissions (E LUC ) from the Global Carbon Project (GCP), presented as R + L in this study by Le Quéré et al (2015), and 2) the land CO 2 fluxes from two atmospheric inversion systems: Jena CarboScope s81_v3.8 and CAMS v15r2, referred to as F Jena and F CAMS respectively. The model ensemble-mean NBP (that includes seven models with land-use change) is higher than but within the uncertainty of R + L, while the simulated positive NBP trend over the last 30 yr is lower than that from R + L and from the two inversion systems. ISIMIP2a biome models well capture the interannual variation of global net terrestrial ecosystem carbon fluxes. Tropical NBP represents 31 ± 17% of global total NBP during the past decades, and the year-to-year variation of tropical NBP contributes most of the interannual variation of global NBP. According to the models, increasing Net Primary Productivity (NPP) was the main cause for the generally increasing NBP. Significant global NBP anomalies from the long-term mean between the two phases of El Niño Southern Oscillation (ENSO) events are simulated by all models (p < 0.05), which is consistent with the R + L estimate (p = 0.06), also mainly attributed to NPP anomalies, rather than to changes in heterotrophic respiration (Rh). The global NPP and NBP anomalies during ENSO events are dominated by their anomalies in tropical regions impacted by tropical climate variability. Multiple regressions between R + L, F Jena and F CAMS interannual variations and tropical climate variations reveal a significant negative response of global net terrestrial ecosystem carbon fluxes to tropical mean annual temperature variation, and a non-significant response to tropical annual precipitation variation. According to the models, tropical precipitation is a more important driver, suggesting that some models do not capture the roles of precipitation and temperature changes adequately.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Corresponding Standard Reference Material Data used in Partial Least Squares Regression Models for Sugar Composition Estimates in Biomass in: Economic Impact of Yield and Composition Variation in Bioenergy Crops: Populus trichocarpa

Corresponding Standard Reference Material Data used in Partial Least Squares Regression Models for Sugar Composition Estimates in Biomass in: Economic Impact of Yield and Composition Variation in Bioenergy Crops: Populus trichocarpa (for corresponding manuscript: DOI: 10.1002/bbb.2148) PDF Files: Images of 1H NMR spectra for neutralized 2-stage acid hydrolysates of 4 NIST Standard Reference Material biomass samples (Monterey Pine 8493, Sugarcane Bagasse 8491, Wheat Straw 8494, and Eastern Cottonwood/Poplar 8492) and 2 Center for Bioenergy Innovation reference biomass samples (Poplar - Populus trichocarpa and Switchgrass - Panicum Virgatum). Suppression of the water peak was achieved using a NOESY-1D with presaturation, a recycle delay of 5 s, and a total of 64 scans. Spectra were acquired at 298 K and processed with automatic phase correction, baseline correction, and chemical shift referencing to TSP-d4. Images show all 1H data from 10 to 1ppm with inset spectra of region of interest (4.0 to 3.1 ppm). Text Files: Spectra for neutralized 2-stage acid hydrolysates of 4 NIST Standard Reference Material biomass samples (Monterey Pine 8493, Sugarcane Bagasse 8491, Wheat Straw 8494, and Eastern Cottonwood/Poplar 8492) and 2 Center for Bioenergy Innovation reference biomass samples (Poplar - Populus trichocarpa and Switchgrass - Panicum Virgatum) were converted into text files for plotting. Files contain 8192 points of raw spectral data from 12.23 to -2.78 ppm. The text file contains 4 columns of data and includes: Point number, Intensity, Hz, and ppm. Xcel Spreadsheet: HPLC measured monomeric sugar concentrations and bucketed 1H NMR data used to build monomeric sugar composition prediction models. Sugar composition in biomass determined from HPLC analyses are given in mg sugar/mg of biomass. Spectral bucketing was performed using Bruker’s AMIX software. Spectra were divided into 0.005 ppm buckets in the region of 3.10– 4.15 ppm for a total of 210 buckets. Headers for the bucketed data are the chemical shift in ppm of the center of the bucket. Bucketed data was used to build partial least squares models for subsequent predictions in The Unscrambler v. 10.5(CAMO A/S, Trondheim, Norway). The formation of methanol during hydrolysis interferes with the quantitative NMR analysis of sugars, so the methanol peak centered at 3.37 ppm and spanning four buckets (3.2925 – 3.2775 ppm) was set to zero for all spectra.

09 BIOMASS FUELS↗
DOE OSTI2025

Block Island Noise Modeling Data

Noise propagation near Block Island was simulated to assess environmental impacts of impact pile driving during wind turbine construction. Computational models complement field-recorded acoustic data, providing insights into sound attenuation, spectral variability, and propagation dynamics. The dataset includes: 1. Propagation Models: Simulated underwater sound fields documenting sound pressure and directional variability across frequency bands and distances. 2. Spectral Analysis (LTSA): Long-term averages and processed outputs calculating acoustic intensity over time. 3. Visualization Files: Graphs, 2D/3D simulation results, and reference calculations used in sound modeling.

17 WIND ENERGY↗