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At least 973 records · Page 54

Critical land change information enhances the understanding of carbon balance in the United States

Large‐scale terrestrial carbon (C) estimating studies using methods such as atmospheric inversion, biogeochemical modeling, and field inventories have produced different results. The goal of this study was to integrate fine‐scale processes including land use and land cover change into a large‐scale ecosystem framework. We analyzed the terrestrial C budget of the conterminous United States from 1971 to 2015 at 1‐km resolution using an enhanced dynamic global vegetation model and comprehensive land cover change data. Effects of atmospheric CO2 fertilization, nitrogen deposition, climate, wildland fire, harvest, and land use/land cover change (LUCC) were considered. We estimate annual C losses from cropland harvest, forest clearcut and thinning, fire, and LUCC were 436.8, 117.9, 10.5, and 10.4 TgC/year, respectively. C stored in ecosystems increased from 119,494 to 127,157 TgC between 1971 and 2015, indicating a mean annual net C sink of 170.3 TgC/year. Although ecosystem net primary production increased by approximately 12.3 TgC/year, most of it was offset by increased C loss from harvest and natural disturbance and increased ecosystem respiration related to forest aging. As a result, the strength of the overall ecosystem C sink did not increase over time. Our modeled results indicate the conterminous US C sink was about 30% smaller than previous modeling studies, but converged more closely with inventory data.

carbon sequestration↗

Pseudonymization at Scale: OLCF’s Summit Usage Data Case Study

The analysis of vast amounts of data and the processing of complex computational jobs have traditionally relied upon high performance computing (HPC) systems, which offer reliable and efficient management of large-scale computational and data resources. Understanding these analyses’ needs is paramount for designing solutions that can lead to better science, and similarly, understanding the characteristics of the user behavior on those systems is important for improving user experiences on HPC systems. A common approach to gathering data about user behavior is to extract workload characteristics from system log data available only to system administrators. Recently at Oak Ridge Leadership Computing Facility (OLCF), however, we unveiled user behavior about the Summit supercomputer by collecting data from a user’s point of view with ordinary Unix commands.In this paper, we discuss the process, challenges, and lessons learned while preparing this dataset for publication and submission to an open data challenge. The original dataset contains personal identifiable information (PII) about the users of OLCF which needed be masked prior to publication, and we determined that anonymization, which scrubs PII completely, destroyed too much of the structure of the data to be interesting for the data challenge. We instead chose to pseudonymize the dataset, which reduced the linkability of the dataset to the users’ identities. Pseudonymization is significantly more computationally expensive than anonymization, and the size of our dataset, which is approximately 175 million lines of raw text, necessitated the development of a parallelized workflow that could be reused on different HPC machines. We demonstrate the scaling behavior of the workflow on two leadership class HPC systems at OLCF, and we show that we were able to bring the overall makespan time from an impractical 20+ hours on a single node down to around 2 hours. As a result of this work, we release the entire pseudonymized dataset and make the workflows and source code publicly available.

Maheshwari, Ketan↗

Sample Identifiers and Metadata to Support Data Management and Reuse in Multidisciplinary Ecosystem Sciences

Physical samples are foundational entities for research across biological, Earth, and environmental sciences. Data generated from sample-based analyses are not only the basis of individual studies, but can also be integrated with other data to answer new and broader-scale questions. Ecosystem studies increasingly rely on multidisciplinary team-science to study climate and environmental changes. While there are widely adopted conventions within certain domains to describe sample data, these have gaps when applied in a multidisciplinary context. In this study, we reviewed existing practices for identifying, characterizing, and linking related environmental samples. We then tested practicalities of assigning persistent identifiers to samples, with standardized metadata, in a pilot field test involving eight United States Department of Energy projects. Participants collected a variety of sample types, with analyses conducted across multiple facilities. We address terminology gaps for multidisciplinary research and make recommendations for assigning identifiers and metadata that supports sample tracking, integration, and reuse. Furthermore, our goal is to provide a practical approach to sample management, geared towards ecosystem scientists who contribute and reuse sample data.

54 ENVIRONMENTAL SCIENCES↗

Mission to Planet Earth. The living ocean: Observing ocean color from space

Measurements of ocean color are part of NASA's Mission to Planet Earth, which will assess how the global environment is changing. Using the unique perspective available from space, NASA will observe, monitor, and study large-scale environmental processes, focusing on quantifying climate change. NASA will distribute the results of these studies to researchers worldwide to furnish a basis for informed decisions on environmental protection and economic policy. This information packet includes discussion on the reasons for measuring ocean color, the carbon cycle and ocean color, priorities for global climate research, and SeWiFS (sea-viewing wide field-of-view sensor) global ocean color measurements.

Source record↗

Long-Term, Non-Anthropogenic Groundwater Storage Changes Simulated by Three Global-Scale Hydrological Models

This study examined long-term, natural (i.e., excluding anthropogenic impacts) variability of groundwater storage worldwide. Groundwater storage changes were estimated by forcing three global-scale hydrological models with three 50+ year meteorological datasets. Evaluation using in situ groundwater observations from the U.S. and terrestrial water storage derived from the Gravity Recovery and Climate Experiment (GRACE) satellites showed that these models reasonably represented inter-annual variability of water storage, as indicated by correlations greater than 0.5 in most regions. Empirical orthogonal function analysis revealed influences of the El Niño Southern Oscillation (ENSO) on global groundwater storage. Simulated groundwater storage, including its global average, exhibited trends generally consistent with that of precipitation. Global total (natural) groundwater storage decreased over the past 5-7 decades with modeled rates ranging from 0.01 to 2.18 mm year-1. This large range can be attributed in part to groundwater’s low frequency (inter-decadal) variability, which complicates identification of real long-term trends even within a 50+ year time series. Results indicate that non-anthropogenic variability in groundwater storage is substantial, making knowledge of it fundamental to quantifying direct human impacts on groundwater storage.

Groundwater storage↗

Long-Term, Non-Anthropogenic Groundwater Storage Changes Simulated by Three Global-Scale Hydrological Models

This study examined long-term, natural (i.e., excluding anthropogenic impacts) variability of groundwater storage worldwide. Groundwater storage changes were estimated by forcing three global-scale hydrological models with three 50+ year meteorological datasets. evaluation using in situ groundwater observations from the U.S. and terrestrial water storage derived from the Gravity Recovery and Climate experiment (GRACe) satellites showed that these models reasonably represented inter-annual variability of water storage, as indicated by correlations greater than 0.5 in most regions. Empirical orthogonal function analysis revealed influences of the El Niño Southern Oscillation (ENSO) on global groundwater storage. simulated groundwater storage, including its global average, exhibited trends generally consistent with that of precipitation. Global total (natural) groundwater storage decreased over the past 5–7 decades with modeled rates ranging from 0.01 to 2.18 mm year−1. this large range can be attributed in part to groundwater’s low frequency (inter-decadal) variability, which complicates identification of real long-term trends even within a 50+ year time series. Results indicate that non-anthropogenic variability in groundwater storage is substantial, making knowledge of it fundamental to quantifying direct human impacts on groundwater storage.

Bailing Li↗

Evaluating the effectiveness of M-AMBI with other biotic indexes in a temperate estuary

Need for a scalable and widely applicable index has been increasingly important. This study evaluates the applicability of the M-AMBI, a potential comprehensive index, at small spatial scales. M-AMBI was compared to regional indices (EMAP-E and GOM B-IBI), assessing response to natural environmental gradients and low oxygen stress. Results indicate poor agreement between indices with M-AMBI and GOM B-IBI showing positive correlation but significant disagreement in habitat condition. EMAP-E had no agreement. Indices showed similar patterns of better habitat scores in higher salinities. M-AMBI also showed a negative relationship with sediment organic matter and total nitrogen. DO influenced all indices with M-AMBI the most sensitive. However, mismatches between DO and index score were observed further calibration may be needed before adoption into programs. Altogether, the M-AMBI demonstrates potential at smaller, local scales, but additional studies are needed to validate its performance in different coastal environments and under different conditions.

54 ENVIRONMENTAL SCIENCES↗

Infinite photovoltaic solar arrays: Considering flux of momentum and heat transfer

Large scale solar farms supply an increasing amount of the worlds electricity supply. However, high operation temperatures can strongly reduce efficiency and panel lifetime, negatively affecting the levelized cost of energy. In this work, the convective heat transfer coefficient for a utility-scale solar farm is studied with combined thermal and particle-image-velocimetry measurements in a scaled wind tunnel experiment. The measurements confirm the applicability of the scaled experimental setup to study large solar arrays. The velocity measurements indicate the complex flow structure within the solar array, governed by wakes directed upwards due to the orientation of the solar panels.

14 SOLAR ENERGY↗

Evaluating SWAT + model uncertainties for human and natural outcomes: Application in a Great Lakes agricultural watershed

Nutrient exports from agricultural lands in the Great Lakes Region pose significant threats to water quality and ecological health through eutrophication, hypoxia, and harmful algal blooms. Climate change and agricultural adaptation practices complicate future nutrient loading due to intensified hydrologic cycles and land use decisions. Our research focuses on evaluating the Soil and Water Assessment Tool (SWAT) plus model parametric uncertainties for human and natural outcomes across different scales. These factors are integral to ensuring a balance between productive agricultural practices and maintaining the health of watershed hydrology. However, uncertainties in modeling such complex interactions pose significant challenges, limiting our ability to precisely determine critical factors that influence crop yield and soil moisture. Our analysis employs Sobol global sensitivity analysis to evaluate first-order, second order, and total-order indices for SWAT crop growth parameter, ensuring comprehensive assessment of individual and interactive effects on model outputs. The objective is to identify the parameters that significantly affect model outputs for crop yield and soil moisture and improve our understanding of their interactions at the basin and hydrological response unit (HRU) scale. Our case study, the Portage River Watershed, which drains into Lake Erie, is chosen to better capture finer scale interactions crucial for predicting nutrient loading under future climate scenarios. This foundational work is aimed at setting the stage for the future development of an agent-based model (ABM). The ABM model would incorporate SWAT outputs to dynamically simulate decision-making processes.

Bunyon, Enock↗

Density wave theory

The prospect that density waves and galactic shock waves are present on the large scale in disk shaped galaxies has received support in recent years from both theoretical and observational studies. Large-scale galactic shock waves in the interstellar gas are suggested to play an important governing role in star formation, molecule formation, and the degree of development of spiral structure. Through the dynamics of the interstellar gas and the galactic shock-wave phenomenon, a new insight into the physical basis underlying the morphological classification system of galaxies is suggested.

Roberts, W. W., Jr.↗

Error Characteristics and Scale Dependence of Current Satellite Precipitation Estimates Products in Hydrological Modeling

Satellite precipitation estimates (SPEs) are promising alternatives to gauge observations for hydrological applications (e.g., streamflow simulation), especially in remote areas with sparse observation networks. However, the existing SPEs products are still biased due to imperfections in retrieval algorithms, data sources and post-processing, which makes the effective use of SPEs a challenge, especially at different spatial and temporal scales. In this study, we used a distributed hydrological model to evaluate the simulated discharge from eight quasi-global SPEs at different spatial scales and explored their potential scale effects of SPEs on a cascade of basins ranging from approximately 100 to 130,000 km 2 . The results indicate that, regardless of the difference in the accuracy of various SPEs, there is indeed a scale effect in their application in discharge simulation. Specifically, when the catchment area is larger than 20,000 km2, the overall performance of discharge simulation emerges an ascending trend with the increase of catchment area due to the river routing and spatial averaging. Whereas below 20,000 km 2 , the discharge simulation capability of the SPEs is more randomized and relies heavily on local precipitation accuracy. Our study also highlights the need to evaluate SPEs or other precipitation products (e.g., merge product or reanalysis data) not only at the limited station scale, but also at a finer scale depending on the practical application requirements. Here we have verified that the existing SPEs are scale-dependent in hydrological simulation, and they are not enough to be directly used in very fine scale distributed hydrological simulations (e.g., flash flood). More advanced retrieval algorithms, data sources and bias correction methods are needed to further improve the overall quality of SPEs.

DTVGM↗

Fundamental Investigations into the Properties and Performance of Advanced Materials

Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over ii the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.

Schichtel, Jacob J.↗

Lead isotopic studies of lunar soils - Their bearing on the time scale of agglutinate formation

Fines (smaller than 75 microns) and bulk soil were studied to analyze loss of volatile lead; losses of the order of 10% to 30% radiogenic lead during the production of agglutinates are assessed. Lead isotope data from fine-agglutinate pairs are analyzed for information on the time scale of micrometeorite bombardment, from the chords generated by the data in concordia diagrams. Resulting mean lead loss ages were compared to spallogenic gas exposure ages for all samples. Labile parentless radiogenic Pb residing preferentially on or in the fines is viewed as possibly responsible for aberrant lead loss ages. Bulk soils plot above the concordia curve (in a field of excess radiogenic Pb) for all samples with anomalous ages.

Church, S. E.↗

Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods

We study the effect of self-interaction errors on the barrier heights of chemical reactions. For this purpose we use the well-known Perdew-Zunger [J. P. Perdew and A. Zunger, Phys. Rev. B,23, 5048 (1981)] self-interaction-correction(PZSIC), as well two variations of the recently developed, locally scaled self-interaction correction (LSIC) [Zope et al.,J. Chem. Phys.151, 214108 (2019)] to study the barrier heights of the BH76 benchmark dataset. Our results show that both PZSIC and especially the LSIC methods improve the barrier heights relative to the local density approximation(LDA). The version of LSIC that uses the iso-orbital indicator z as a scaling factor gives a more consistent improvement than an alternative version that uses an orbital-dependent factor based on the ratio of orbital densities to the total electron density. We show that LDA energies evaluated using the self-consistent and self-interaction-free PZSIC densities can be used to assess density-driven errors. Furthermore, the LDA reaction barrier errors for the BH76 set are found to contain significant density-driven errors for all types of reactions contained in the set, but the corrections due to adding SIC to the functional are much larger than those stemming from the density for the hydrogen transfer reactions and of roughy equal size for the non-hydrogen transfer reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dual-Frequency VLBI Study of Centaurus A on Sub-Parsec Scales: The Highest-Resolution View of an Extragalactic Jet

Centaurus A is the closest active galactic nucleus. High resolution imaging using Very Long Baseline Interferometry (VLBI) enables us to study the spectral and kinematic behavior of the radio jet-<:ounterjet system on sub-parsec scales, providing essential information for jet emission and formation models. Aims. Our aim is to study the structure and spectral shape of the emission from the central-parsec region of Cen A. Methods. As a target of the Southern Hemisphere VLBI monitoring program TANAMI (Tracking Active Galactic Nuclei with Millliarcsecond Interferometry), VLBI observations of Cen A are made regularly at 8.4 and 22.3 GHz with the Australian Long Baseline Array (LBA) and associated telescopes in Antarctica, Chile, and South Africa. Results. The first dual-frequency images of this source are presented along with the resulting spectral index map. An angular resolution of 0.4 mas x 0.7 mas is achieved at 8.4 GHz, corresponding to a linear scale of less than 0.013 pc. Hence, we obtain the highest resolution VLBI image of Cen A, comparable to previous space-VLBI observations. By combining with the 22.3 GHz image, we present the corresponding dual-frequency spectral index distribution along the sub-parsec scale jet revealing the putative emission regions for recently detected y-rays from the core region by Fermi/LAT. Conclusions. We resolve the innermost structure of the milliarcsecond scale jet and counter jet system of Cen A into discrete components. The simultaneous observations at two frequencies provide the highest resolved spectral index map of an AGN jet allowing us to identify up to four possible sites as the origin of the high energy emission. Key words. galaxies: active galaxies: individual (Centaurus A, NGC 5128) - galaxies: jets - techniques: high angular resolution

Mueller, C.↗

HIV-1 transmitted drug resistance surveillance: shifting trends in study design and prevalence estimates

HIV-1 transmitted drug resistance (TDR) prevalence increased during the initial years of the antiretroviral therapy (ART) global scale-up. Few studies have examined recent trends in TDR prevalence using published genetic sequences and described the characteristics of ART-naïve persons from whom these published sequences have been obtained. We identified 125 studies published between 2014 and 2019 for which HIV-1 reverse transcriptase (RT) with or without protease from ≥50 ART-naïve adult persons were submitted to the GenBank sequence database. The population characteristics and TDR prevalence were compared to those in 122 studies published in the preceding five years between 2009 and 2013. TDR prevalence was analysed using median study-level and person-level data. The 2009 to 2013 and 2014 to 2019 studies reported sequence data from 32,866 and 41,724 ART-naïve persons respectively. Studies from the low- and middle-income country (LMIC) regions in sub-Saharan Africa, South/Southeast Asia and Latin America/Caribbean accounted for approximately two-thirds of the studies during each period. Between the two periods, the proportion of studies from sub-Saharan Africa and from South/Southeast Asia countries other than China decreased from 43% to 32% and the proportion of studies performed at sentinel sites for recent HIV-1 infection decreased from 33% to 22%. Between 2014 and 2019, median study-level TDR prevalence was 4.1% in South/Southeast Asia, 6.0% in sub-Saharan Africa, 9.1% in Latin America/Caribbean, 8.5% in Europe and 14.2% in North America. In the person-level analysis, there was an increase in overall, NNRTI and two-class NRTI/NNRTI resistance in sub-Saharan Africa; an increase in NNRTI resistance in Latin America/Caribbean, and an increase in overall, NNRTI and PI resistance in North America. Overall, NNRTI and dual NRTI/NNRTI-associated TDR prevalence was significantly higher in sub-Saharan Africa studies published between 2014 and 2019 compared with those published between 2009 and 2013. The decreasing proportion of studies from the hardest hit LMIC regions and the shift away from sentinel sites for recent infection suggests that global TDR surveillance efforts and publication of findings require renewed emphasis.

60 APPLIED LIFE SCIENCES↗

Comparison of the Forward and Reverse Photocycle Dynamics of Two Highly Similar Canonical Red/Green Cyanobacteriochromes Reveals Unexpected Differences

Cyanobacteriochromes (CBCRs) are cyanobacterial photoreceptors that exhibit photochromism between two states: a thermally stable dark-adapted state and a metastable light-adapted state with bound linear tetrapyrrole (bilin) chromophores possessing 15Z and 15E configurations, respectively. The photodynamics of canonical red/green CBCRs have been extensively studied; however, the time scales of their excited-state lifetimes and subsequent ground-state evolution rates widely differ and, at present, remain difficult to predict. Here, we compare the photodynamics of two closely related red/green CBCRs that have substantial sequence identity (~68%) and similar chromophore environments: AnPixJg2 from Anabaena sp. PCC 7120 and NpR6012g4 from Nostoc punctiforme. Using broadband transient absorption spectroscopy on the primary (125 fs to 7 ns) and secondary (7 ns to 10 ms) time scales together with global analysis modeling, our studies revealed that AnPixJg2 and NpR6012g4 have comparable quantum yields for initiating the forward ( 15Z P r → 15E P g ) and reverse ( 15E P g → 15Z P r ) reactions, which proceed through monotonic and nonmonotonic mechanisms, respectively. In addition to small discrepancies in the kinetics, the secondary reverse dynamics resolved unique features for each domain: intermediate shunts in NpR6012g4 and a Meta-Gf intermediate red-shifted from the 15Z P r photoproduct in AnPixJg2. Altogether, this study supports the conclusion that sequence similarity is a useful criterion for predicting pathways of the light-induced evolution and quantum yield of generating primary intermediate Φ p within subfamilies of CBCRs, but more studies are still needed to develop a comprehensive molecular level understanding of these processes.

59 BASIC BIOLOGICAL SCIENCES↗

Global wind measurement from space - Doppler lidar

The results of a design study, the Shuttle Coherent Atmospheric Lidar Experiment (SCALE), are presented. This study addresses the questions that must be solved before a global wind profiler can be designed and which can only be answered by a space flight experiment. System sensitivity is discussed together with beam scanning, coverage, and ground truth. The system's laser transmitter, optics, and telescope are described as well as Shuttle accommodations. It is concluded that this experiment will be an economical and necessary step toward global measurement on the Space Station or earth observing system.

Fitzjarrald, D. E.↗