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DOE OSTI2019

The Atomic Structure of Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes is Responsible for Their Antibacterial Activity Toward E. coli Bacteria

The expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} MXene phases were synthesized from their parent Ti{sub 2}AlC and Ti{sub 3}AlC{sub 2} MAX phases using the same conditions of the classical acidic aluminum extraction method. The assumption for the study was that the expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes are composed of the same atoms and if are synthesized from MAX phases using the same conditions of the classical acidic aluminum extraction method, the observed bio-effects can be related only to the changes in their structures. The scanning electron microscope investigations indicated that the expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} sheets formed the specific network of slit-shaped nano-pores. The x-ray photoelectron spectroscopy for chemical analysis (ESCA-XPS) showed almost no difference in surface chemistry of Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes. The high-resolution transmission electron microscope investigations revealed, however, differences in atomic structure of the individual Ti{sub 2}C and Ti{sub 3}C{sub 2} sheets. Measured distance between Ti-C atomic layers in Ti{sub 2}C was 9.76 Å and was larger by 0.53 Å in comparison with Ti{sub 3}C{sub 2} (9.23 Å). Our investigations of bioactive properties toward model gram-negative Escherichia coli bacterial strain showed that the Ti{sub 2}C MXene did not influence the viability of bacteria. Contrarily, the Ti{sub 3}C{sub 2} MXene showed antibacterial properties. The results of the study indicate that the structure at the atomic scale may play a key role in the bioactivity of MXenes of the same chemical composition, but different stoichiometry, just like in case of Ti{sub 2}C and Ti{sub 3}C{sub 2}.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Ground-Active Arthropod Diversity Under Energycane and Biomass Sorghum Production

Energycane and biomass sorghum are two of the most promising cellulosic energy crops in the southeastern US. Research on these two energy crops has focused mainly on biomass production, and there is a lack of knowledge on their ability to promote biodiversity and ecosystem services. This paper presents results from a comprehensive study on ground-active arthropod diversity in seven sites across five states in the southeastern US (Florida, Georgia, Louisiana, Mississippi, and Texas). Pitfall traps were deployed four times during each crop season for energycane, biomass sorghum, and a local reference conventional crop from 2020 to 2022. Arthropod abundance (individuals/(trap × day)) values were 4.9 ± 0.46, 3.7 ± 0.18, and 2.6 ± 0.16 (mean ± stderr) for conventional crops, biomass sorghum, and energycane, respectively, with a significant difference found only between conventional crops and energycane. Individuals were identified to arthropod orders, and Hill’s diversity indices were calculated based on the number of individuals in each arthropod order instead of the number of individuals in each arthropod species. Order-based arthropod richness values were 5.3, 5.2, and 4.8 for biomass sorghum, conventional crops, and energycane, with significant difference found only between biomass sorghum and energycane. There was no significant difference in the order-based Shannon diversity and Simpson diversity between the three crop types. The effective number of arthropod orders for the two energy crops decreased from 5.0 to 3.4 to 2.9 with increasing order of diversity from arthropod richness to Shannon diversity to Simpson diversity. The explained variability by environmental factors also decreased with increasing Hill’s order of diversity. The results from this study indicate no significant advantage in order-based arthropod diversity in growing biomass sorghum and energycane. This research fills a critical knowledge gap in understanding the impacts of cellulosic energy crop production on biodiversity and ecosystem services.

Yang, Yubin↗

NASA NTRS1992

Seawifs Technical Report Series. Volume 2: Analysis of Orbit Selection for Seawifs: Ascending Versus Descending Node

Due to range safety considerations, the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) ocean color instrument may be required to be launched into a near-noon descending node, as opposed to the ascending node used by the predecessor sensor, the Coastal Zone Color Scanner (CZCS). The relative importance of ascending versus descending near-noon orbits was assessed here to determine if descending node will meet the scientific requirements of SeaWiFS. Analyses focused on ground coverage, local times of coverage, solar and viewing geometries (zenith and azimuth angles), and sun glint. Differences were found in the areas covered by individual orbits, but were not important when taken over a 16 day repeat time. Local time of coverage was also different: for ascending node orbits the Northern Hemisphere was observed in the morning and the Southern Hemisphere in the afternoon, while for descending node orbits the Northern Hemisphere was observed in the afternoon and the Southern in the morning. There were substantial differences in solar azimuth and spacecraft azimuth angles both at equinox and at the Northern Hemisphere summer solstice. Negligible differences in solar and spacecraft zenith angles, relative azimuth angles, and sun glint were obtained at the equinox. However, large differences were found in solar zenith angles, relative azimuths, and sun glint for the solstice. These differences appeared to compensate across the scan, however, an increase in sun glint in descending node over that in ascending node on the western part of the scan was compensated by a decrease on the eastern part of the scan. Thus, no advantage or disadvantage could be conferred upon either ascending node or descending node for noon orbits. Analyses were also performed for ascending and descending node orbits that deviated from a noon equator crossing time. For ascending node, afternoon orbits produced the lowest mean solar zenith angles in the Northern Hemisphere, and morning orbits produced the lowest angles for the Southern Hemisphere. For descending node, morning orbits produced the lowest mean solar zenith angles for the Northern Hemisphere; afternoon orbits produced the lowest angles for the Southern Hemisphere.

Hooker, Stanford B.↗

DOE OSTI2015

SU-E-T-659: Quantitative Evaluation of Patient Setup Accuracy of Stereotactic Radiotherapy with the Frameless 6D-ExacTrac System Using Statistical Modeling

Purpose: To evaluate patient setup accuracy and quantify individual and cumulative positioning uncertainties associated with different hardware and software components of the stereotactic radiotherapy (SRS/SRT) with the frameless-6D-ExacTrac system. Methods: A statistical model was used to evaluate positioning uncertainties of the different components of SRS/SRT treatment with the BrainLAB 6D-ExacTrac system using the positioning shifts of 35 patients having cranial lesions (49 total lesions treated in 1, 3, 5 fractions). All these patients were immobilized with rigid head-and-neck masks, simulated with BrainLAB-localizer and planned with iPlan treatment planning system. Infrared imaging (IR) was used initially to setup patients. Then, stereoscopic x-ray images (XC) were acquired and registered to corresponding digitally-reconstructed-radiographs using bony-anatomy matching to calculate 6D-translational and rotational shifts. When the shifts were within tolerance (0.7mm and 1°), treatment was initiated. Otherwise corrections were applied and additional x-rays were acquired (XV) to verify that patient position was within tolerance. Results: The uncertainties from the mask, localizer, IR-frame, x-ray imaging, MV and kV isocentricity were quantified individually. Mask uncertainty (Translational: Lateral, Longitudinal, Vertical; Rotational: Pitch, Roll, Yaw) was the largest and varied with patients in the range (−1.05−1.50mm, −5.06–3.57mm, −5.51−3.49mm; −1.40−2.40°, −1.24−1.74°, and −2.43−1.90°) obtained from mean of XC shifts for each patient. Setup uncertainty in IR positioning (0.88,2.12,1.40mm, and 0.64,0.83,0.96°) was extracted from standard-deviation of XC. Systematic uncertainties of the localizer (−0.03,−0.01,0.03mm, and −0.03,0.00,−0.01°) and frame (0.18,0.25,−1.27mm,−0.32,0.18, and 0.47°) were extracted from means of all XV setups and mean of all XC distributions, respectively. Uncertainties in isocentricity of the MV radiotherapy machine were (0.27,0.24,0.34mm) and kV-imager (0.15,−0.4,0.21mm). Conclusion: A statistical model was developed to evaluate the individual and cumulative systematic and random uncertainties induced by the different hardware and software components of the 6D-ExacTrac-system. The immobilization mask was associated with the largest positioning uncertainty.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2017

Potential human exposure to halogenated flame-retardants in elevated surface dust and floor dust in an academic environment

Most households and workplaces all over the world possess furnishings and electronics, all of which contain potentially toxic flame retardant chemicals to prevent fire hazards. Indoor dust is a recognized repository of these types of chemicals including polybrominated diphenyl ethers (PBDEs) and non-polybrominated diphenyl ethers (non-PBDEs). However, no previous U.S. studies have differentiated concentrations from elevated surface dust (ESD) and floor dust (FD) within and across microenvironments. We address this information gap by measuring twenty-two flame-retardant chemicals in dust on elevated surfaces (ESD; n=10) and floors (FD; n=10) from rooms on a California campus that contain various concentrations of electronic products. We hypothesized a difference in chemical concentrations in ESD and FD. Secondarily, we examined whether or not this difference persisted: (a) across the studied microenvironments and (b) in rooms with various concentrations of electronics. A Wilcoxon signed-rank test demonstrated that the ESD was statistically significantly higher than FD for BDE-47 (p=0.01), BDE-99 (p=0.01), BDE-100 (p=0.01), BDE-153 (p=0.02), BDE-154 (p=0.02), and 3 non-PBDEs including EH-TBB (p=0.02), BEH-TEBP (p=0.05), and TDCIPP (p=0.03). These results suggest different levels and kinds of exposures to flame-retardant chemicals for individuals spending time in the sampled locations depending on the position of accumulated dust. Therefore, further research is needed to estimate human exposure to flame retardant chemicals based on how much time and where in the room individuals spend their time. Such sub-location estimates will likely differ from assessments that assume continuous unidimensional exposure, with implications for improved understanding of potential health impacts of flame retardant chemicals. - Highlights: • Brominated flame retardants used in electronic products accumulate in room dust • Various chemical moieties of flame retardants leach differently into room dust • Flame retardant concentrations in dust differ in elevated surfaces compared to floors.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Report on Developing a US-China Joint Project on CO2-Based Fracturing Techniques

There are several types of hydraulic fracturing methods that have been investigated in the past decades that use little or no water. The criteria for selecting an optimal hydraulic fracturing fluids are many, and no single fluid can meet all the desired characteristics. Developing a set of technologies by using different fracturing fluids can better meet individual geologic, economic, and environmental needs. CO2 as an alternative of water for hydraulic fracturing has its unique place among all other fracturing fluids, and can meet both economic and environmental objectives under certain circumstances. There are three main categories of CO2-based fracturing fluids, simple liquid CO2 (LCO2), directly thickened LCO2, and CO2-foams/emulsions. Although LCO2 has many advantages, critical disadvantages arise due to its high operating pressure, low viscosity, poor proppant-carrying capacity, and generation of shallower fracture networks. To date, techniques for direct thickening of LCO2 to overcome these limitations have proven ineffective. To increase the apparent viscosity of CO2, we propose to further develop CO2-foam (and emulsion) fracturing techniques. While CO2-foams have long been used in EOR, the required properties for hydraulic fracturing are different, and relatively few peer-reviewed publications and field test reports are available regarding their applications in fracturing, and the surfactants and additives used are often proprietary This report describes a brief state-of-the-art analysis of CO2-based hydraulic fracturing methods and then discusses a joint plan for a long-term R&D collaboration to advance the most promising CO2-based hydraulic fracturing techniques as part of the U.S.-China Clean Energy Research Center, Water Energy Technology (CERC-WET). The objective of this U.S.-China joint research project is to design and laboratory test a CO2-foam fracturing fluid system, and then conduct pilot field-tests on them in China’s Jilin Oilfield. This joint research project will benefit both U.S. and China for advancing their shared goal of developing better technologies for CO2-based fracturing. The Chinese CERC-WET has two teams joining the project, one from RIPED, responsible for aboveground infrastructure design and construction. Another team from the Jilin Oilfield will be responsible for the field test design and conducting the test. The U.S.CERC-WET team at LBNL will be responsible for providing the CO2-foam formulations and their rheology parameters to be tested in the field (a challenging task and a key to success); participating in the equipment design and field test design; assisting in analyzing field data; and reporting to U.S. DOE and CERC-WET.

58 GEOSCIENCES↗

DOE OSTI2019

Fluctuating hydrodynamics of electrolytes at electroneutral scales

At mesoscopic scales electrolyte solutions are modeled by the fluctuating generalized Poisson-Nernst-Planck (PNP) equations. However, at length and time scales larger than the Debye scales, electrolytes are effectively electroneutral, and the charged-fluid PNP equations become too stiff to solve numerically. Here we formulate the isothermal incompressible equations of fluctuating hydrodynamics for reactive multispecies mixtures involving charged species in the electroneutral limit, and design a numerical algorithm to solve these equations. Our model does not assume a dilute electrolyte solution but rather treats all species on an equal footing, accounting for cross-diffusion and non-ideality using Maxwell-Stefan theory. By enforcing local electroneutrality as a constraint, we obtain an elliptic equation for the electric potential that replaces the Poisson equation in the fluctuating PNP equations. We develop a second-order midpoint predictor-corrector algorithm to solve either the charged-fluid or electroneutral equations with only a change of the elliptic solver. We use the electroneutral algorithm to study a gravitational fingering instability, triggered by thermal fluctuations, at an interface where an acid and base react to neutralize each other. Our results demonstrate that, because the four ions diffuse with very different coefficients, one must treat each ion as an individual species, and cannot treat the acid, base, and salt as neutral species. This emphasizes the differences between electrodiffusion and classical Fickian diffusion, even at electroneutral scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Evaluation of Lost Circulation Material Sealing for Geothermal Drilling

Lost circulation is a pervasive problem in geothermal wells that can create prohibitive costs during drilling. The main issue with treatment is that the mechanism of plug formation is poorly understood. Here we applied two experimental approaches to characterize the clogging effectiveness of different materials. Fracture flow tests with different geometries were conducted with various individual materials and mixtures at relevant conditions. A high-temperature flow loop system was also developed to inject single- and mixed-material plugs into a gravel pack with a non-uniform geometry to compare with the fracture tests. The fracture tests revealed that single materials tended to form no plug or an unstable plug, while mixtures of materials were uniformly better at sealing fractures. Gravel pack tests at high temperatures show most of the materials are intact but degraded. The fibrous materials can create partial or unstable plugs in the gravel pack, but mixed-material plugs are far more effective at clogging. Both test types suggest that (1) mixed materials are more effective at blocking fluid flow and (2) fibrous materials seal fracture openings better, while granular materials seal inside fractures or pore throats better. Further research is needed to study the long-term stability of different plug configurations.

clogging tests↗

DOE OSTI2015

Perturbations of the optical properties of mineral dust particles by mixing with black carbon: a numerical simulation study

Field observations show that individual aerosol particles are a complex mixture of a wide variety of species, reflecting different sources and physico-chemical transformations. The impacts of individual aerosol morphology and mixing characteristics on the Earth system are not yet fully understood. Here we present a sensitivity study on climate-relevant aerosols optical properties to various approximations. Based on aerosol samples collected in various geographical locations, we have observationally constrained size, morphology and mixing, and accordingly simulated, using the discrete dipole approximation model (DDSCAT), optical properties of three aerosols types: (1) bare black carbon (BC) aggregates, (2) bare mineral dust, and (3) an internal mixture of a BC aggregate laying on top of a mineral dust particle, also referred to as polluted dust. DDSCAT predicts optical properties and their spectral dependence consistently with observations for all the studied cases. Predicted values of mass absorption, scattering and extinction coefficients (MAC, MSC, MEC) for bare BC show a weak dependence on the BC aggregate size, while the asymmetry parameter ( g ) shows the opposite behavior. The simulated optical properties of bare mineral dust present a large variability depending on the modeled dust shape, confirming the limited range of applicability of spheroids over different types and size of mineral dust aerosols, in agreement with previous modeling studies. The polluted dust cases show a strong decrease in MAC values with the increase in dust particle size (for the same BC size) and an increase of the single scattering albedo (SSA). Furthermore, particles with a radius between 180 and 300 nm are characterized by a decrease in SSA values compared to bare dust, in agreement with field observations.This paper demonstrates that observationally constrained DDSCAT simulations allow one to better understand the variability of the measured aerosol optical properties in ambient air and to define benchmark biases due to different approximations in aerosol parametrization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Drivers of Seasonal Variability in Marine Boundary Layer Aerosol Number Concentration Investigated Using a Steady State Approach

Marine boundary layer (MBL) aerosol particles affect the climate through their interaction with MBL clouds. Although both MBL clouds and aerosol particles have pronounced seasonal cycles, the factors controlling seasonal variability of MBL aerosol particle concentration are not well-constrained. In this paper an aerosol budget is constructed representing the effects of wet deposition, free-tropospheric entrainment, primary surface sources, and advection on the MBL accumulation mode aerosol number concentration (N a ). These terms are further parameterized, and by assuming that on seasonal timescales N a is in steady state, the budget equation is rearranged to form a diagnostic equation for N a based on observable variables. Using data primarily collected in the subtropical northeast Pacific during the MAGIC campaign (Marine ARM (Atmospheric Radiation Measurement) GPCI (GCSS Pacific Cross-section Intercomparison) Investigation of Clouds), estimates of both mean summer and winter N a concentrations are made using the simplified steady-state model and seasonal mean observed variables, and are found to match well with the observed N a . To attribute the modeled difference between summer and winter aerosol concentrations to individual observed variables (e.g. precipitation rate, free-tropospheric aerosol number concentration), a local sensitivity analysis is combined with the seasonal difference in observed variables. This analysis shows that despite wintertime precipitation frequency being lower than summer, the higher winter precipitation rate accounted for approximately 60% of the modeled seasonal difference in N a , which emphasizes the importance of marine stratocumulus precipitation in determining MBL aerosol concentrations on longer time scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Atomistic modeling of crystal structure of Ca{sub 1.67}SiH{sub x}

The atomic structure of calcium-silicate-hydrate (C{sub 1.67}-S-H{sub x}) has been investigated by theoretical methods in order to establish a better insight into its structure. Three models for C-S-H all derived from tobermorite are proposed and a large number of structures were created within each model by making a random distribution of silica oligomers of different size within each structure. These structures were subjected to structural relaxation by geometry optimization and molecular dynamics steps. That resulted in a set of energies within each model. Despite an energy distribution between individual structures within each model, significant energy differences are observed between the three models. The C-S-H model related to the lowest energy is considered as the most probable. It turns out to be characterized by the distribution of dimeric and pentameric silicates and the absence of monomers. This model has mass density which is closest to the experimental one.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Coastal songbird condition on migratory stopover varies by geographical location and bird age

Abstract The period of migration can pose significant energetic challenges as birds attempt to reach their destinations. Suitable stopover habitat is, therefore, important to the success of migrating individuals, especially as they move along major migration corridors and geographic features, like coastlines. In this study, we used metrics of individual body condition (i.e. fat score, size-corrected body mass, and refueling rate) of fall migrants as they moved across the Gulf of Maine region, a complex coastal landscape. We investigated the extent to which these body condition indices varied by stopover site geography (island vs. mainland) and how these spatial patterns varied with species-specific characteristics such as migratory distance, foraging guild, and age. Geography was an important factor explaining variation in all 3 condition indices, and age explained additional variance in 2 of the 3. In general, individuals captured on islands exhibited significantly lower energetic condition than individuals on the mainland, and this pattern held true across all migratory strategies and foraging guilds. Immature individuals had, on average, lower energy reserves, with less fat and lower size-corrected mass than adults among all stopover sites. We also found that at all sites, size-corrected body mass, on average, significantly increased over the capture day, providing evidence that both island and mainland sites provided energetically beneficial stopover habitat. Our finding that birds offshore are in lower body condition at capture than those along the coast is suggestive that birds use mainland sites for longer stopover bouts than island sites, or that poorer condition birds reorient to land during over-water movements disproportionately use off-shore islands as their initial landing area. Decreases in either island or mainland stopover site availability or quality may affect individual fitness, with population-level consequences, but through different ways.

Zoology↗

NASA NTRS2001

Delta L: An Apparatus for Measuring Macromolecule Crystal Growth Rates in Microgravity

Strongly diffracting high quality macromolecule crystals of suitable volume are keenly sought for X-ray diffraction analysis so that high-resolution molecular structure data can be obtained. Such data is of tremendous value to medical research, agriculture and commercial biotechnology. In previous studies by many investigators microgravity has been reported in some instances to improve biological macromolecule X-ray crystal quality while little or no improvement was observed in other cases. A better understanding of processes effecting crystal quality improvement in microgravity will therefore be of great benefit in optimizing crystallization success in microgravity. In ground based research with the protein lysozyme we have previously shown that a population of crystals grown under the same solution conditions, exhibit a variation in X-ray diffraction properties (Judge et al., 1999). We have also observed that under the same solution conditions, individual crystals will grow at slightly different growth rates. This phenomenon is called growth rate dispersion. For small molecule materials growth rate dispersion has been directly related to crystal quality (Cunningham et al., 1991; Ristic et al., 1991). We therefore postulate that microgravity may act to improve crystal quality by reducing growth rate dispersion. If this is the case then as different, Materials exhibit different degrees of growth rate dispersion on the ground then growth rate dispersion could be used to screen which materials may benefit the most from microgravity crystallization. In order to assess this theory the Delta L hardware is being developed so that macromolecule crystal growth rates can be measured in microgravity. Crystal growth rate is defined as the change or delta in crystal size (defined as a characteristic length, L) over time; hence the name of the hardware. Delta L will consist of an optics, a fluids, and a data acquisition sub-assemblies. The optics assembly will consist of a video microscope camera mounted on three axis computer controlled translation stages. The fluids assembly consists of macromolecule and precipitant reservoirs, a temperature controlled growth cell and waste container, The data acquisition is achieved by using a frame-gabber, with images being stored on a hard drive. In operation, macromolecule and precipitant solution will be injected into the temperature controlled growth cell. As macromolecule crystals grow, the video microscope camera controlled by the translation stages, will be used to locate and record images of individual crystals, returning to the same crystals at specific time intervals. The images will be stored on the hard drive and used to calculate the crystal growth rate. To prevent vibrations interfering in the crystal growth rate measurements (Snell et al., 1997) Delta L will be used in connection with the Glovebox Integrated Microgravity Isolation Technology (g-LIMIT) inside the Microgravity Science Glovebox (MSG), onboard the International Space Station (ISS).

Judge, Russell A.↗

DOE OSTI2013

Quantitative description of microstructure defects in hexagonal boron nitrides using X-ray diffraction analysis

A routine for simultaneous quantification of turbostratic disorder, amount of puckering and the dislocation and stacking fault density in hexagonal materials was proposed and tested on boron nitride powder samples that were synthesised using different methods. The routine allows the individual microstructure defects to be recognised according to their effect on the anisotropy of the X-ray diffraction line broadening. For quantification of the microstructure defects, the total line broadening is regarded as a linear combination of the contributions from the particular defects. The total line broadening is obtained from the line profile fitting. As testing material, graphitic boron nitride (h-BN) was employed in the form of hot-isostatically pressed h-BN, pyrolytic h-BN or a h-BN, which was chemically vapour deposited at a low temperature. The kind of the dominant microstructure defects determined from the broadening of the X-ray diffraction lines was verified by high resolution transmission electron microscopy. Their amount was attempted to be verified by alternative methods. - Highlights: • Reliable method for quantification of microstructure defects in BN was suggested. • The method is based on the analysis of anisotropic XRD line broadening. • This XRD line broadening is unique and characteristic of the respective defect. • Thus, the quantification of coexistent microstructure defects is possible. • The method was tested on hexagonal BN, which was produced by different techniques.

36 MATERIALS SCIENCE↗

NASA NTRS1981

A closer examination of the reduction of satellite magnetometer data for geological studies

Results of a detailed examination of magnetic field residuals obtained from POGO satellite magnetometer data are presented which illustrate some problems which may be encountered in the reduction and analysis of Magsat data. Comparisons of field residuals determined from OGO 2, 4 and 6 data for the region between 270 and 290 deg E reveals significant differences between the satellite data sets which are related to differences in the residual field level on individual satellites, external field contamination and effects from ring current correction in the data reduction process. When a new map is prepared from OGO 2 and 4 satellite data by compensating for these factors, dramatic differences with the original map are noted, including the disappearance of a major positive anomaly and the better definition of various magnetic highs and lows. The new map is also noted to be more consistent with conventional airborne and marine magnetic measurements. The results thus demonstrate the necessity for the inspection of satellite data and the adequate removal of the external field signal prior to geological analysis.

Regan, R. D.↗

NASA NTRS2019

Parameterization-Induced Uncertainties and Impacts of Crop Management Harmonization in a Global Gridded Crop Model Ensemble

Global gridded crop models (GGCMs) combine agronomic or plant growth models with gridded spatial input data to estimate spatially explicit crop yields and agricultural externalities at the global scale. Differences in GGCM outputs arise from the use of different biophysical models, setups, and input data. GGCM ensembles are frequently employed to bracket uncertainties in impact studies without investigating the causes of divergence in outputs. This study explores differences in maize yield estimates from five GGCMs based on the public domain field-scale model Environmental Policy Integrated Climate (EPIC) that participate in the AgMIP Global Gridded Crop Model Intercomparison initiative. Albeit using the same crop model, the GGCMs differ in model version, input data, management assumptions, parameterization, and selection of subroutines affecting crop yield estimates via cultivar distributions, soil attributes, and hydrology among others. The analyses reveal inter-annual yield variability and absolute yield levels in the EPIC-based GGCMs to be highly sensitive to soil parameterization and crop management. All GGCMs show an intermediate performance in reproducing reported yields with a higher skill if a static soil profile is assumed or sufficient plant nutrients are supplied. An in-depth comparison of setup domains for two EPIC-based GGCMs shows that GGCM performance and plant stress responses depend substantially on soil parameters and soil process parameterization, i.e. hydrology and nutrient turnover, indicating that these often neglected domains deserve more scrutiny. For agricultural impact assessments, employing a GGCM ensemble with its widely varying assumptions in setups appears the best solution for coping with uncertainties from lack of comprehensive global data on crop management, cultivar distributions and coefficients for agro-environmental processes. However, the underlying assumptions require systematic specifications to cover representative agricultural systems and environmental conditions. Furthermore, the interlinkage of parameter sensitivity from various domains such as soil parameters, nutrient turnover coefficients, and cultivar specifications highlights that global sensitivity analyses and calibration need to be performed in an integrated manner to avoid bias resulting from disregarded core model domains. Finally, relating evaluations of the EPIC-based GGCMs to a wider ensemble based on individual core models shows that structural differences outweigh in general differences in configurations of GGCMs based on the same model, and that the ensemble mean gains higher skill from the inclusion of structurally different GGCMs. Although the members of the wider ensemble herein do not consider crop-soil-management interactions, their sensitivity to nutrient supply indicates that findings for the EPIC-based sub-ensemble will likely become relevant for other GGCMs with the progressing inclusion of such processes.

Folberth, Christian↗

DOE OSTI2023

Habitat quality influences trade-offs in animal movement along the exploration–exploitation continuum

Abstract To successfully establish itself in a novel environment, an animal must make an inherent trade-off between knowledge accumulation and exploitation of knowledge gained (i.e., the exploration–exploitation dilemma). To evaluate how habitat quality affects the spatio-temporal scale of switching between exploration and exploitation during home range establishment, we conducted experimental trials comparing resource selection and space-use of translocated animals to those of reference individuals using reciprocal translocations between habitat types of differing quality. We selected wild pigs ( Sus scrofa ) as a model species to investigate hypotheses related to the movement behavior of translocated individuals because they are globally distributed large mammals that are often translocated within their introduced range to facilitate recreational hunting. Individuals translocated to higher quality habitat (i.e. higher proportions of bottomland hardwood habitats) exhibited smaller exploratory movements and began exploiting resources more quickly than those introduced to lower quality areas, although those in lower-quality areas demonstrated an increased rate of selection for preferred habitat as they gained knowledge of the landscape. Our data demonstrate that habitat quality mediates the spatial and temporal scale at which animals respond behaviorally to novel environments, and how these processes may determine the success of population establishment.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Soil microenvironmental variation drives below‐ground trait variation and interacts with macroclimate to structure above‐ground trait variation of arctic shrubs

Abstract Intraspecific trait variation can influence plant performance in different environments and may thereby determine the ability of individual plants to respond to climate change. However, our understanding of its patterns and environmental drivers across different spatial scales is incomplete, especially in understudied regions like the Arctic. To fill this knowledge gap, we examined above‐ground and below‐ground traits from three shrub taxa expanding across the tundra biome and evaluated their relationships with multiple microenvironmental and macroclimatic factors. The traits reflected plant size and structure (plant height, leaf area and root to shoot ratio), leaf economics (specific leaf area, nitrogen content), and root economics and collaboration with mycorrhizal fungi (specific root length, root tissue density, nitrogen content, and ectomycorrhizal colonisation intensity). We also measured leaf and root δ 15 N and leaf δ 13 C to characterise nitrogen source and acquisition pathways and plant water stress. Traits were measured in replicated plots ( N = 135) varying in soil microclimate, thaw depth and organic layer thickness established across five sites spanning a macroclimate gradient in northern Alaska. This hierarchical design allowed us to disentangle the independent and combined effects of fine‐scale and broad‐scale factors on intraspecific trait variation. We found substantial intraspecific variation at fine spatial scales for most traits and less variation along the macroclimate gradient and between shrub taxa. Consistent with these patterns, microenvironmental factors, mainly soil moisture and thaw depth, interacted with macroclimate, mainly climatic water deficit, to structure size‐structural and leaf trait variation. In contrast, most root traits responded additively to thaw depth and macroclimate. Synthesis . Our results demonstrate that above‐ground and below‐ground tundra shrub traits respond differently to microenvironmental and macroclimatic variation. These differing responses contribute to substantial trait variation at fine spatial scales and may decouple above‐ground and below‐ground trait responses to climate change.

Environmental Sciences & Ecology↗