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At least 163 records · Page 9

A Data Processing Pipeline for Socio-Technical Network Analysis [Slides]

With the rapid adoption of emerging technologies, there is a need to catalog and model sociotechnical interdependencies that have been historically used to influence the operation of Critical Infrastructure networks including the impacts of mergers and acquisitions, hostile takeovers, and foreign investment. Our research intends to address this need with two primary contributions. First, we have developed a data curation and processing pipeline to generate sociotechnical networks extracted from a variety of data sources including SEC filings and infrastructure asset databases. The pipeline, implemented in Apache Airflow, extracts and normalizes the representation of entities and relations, specified within ontologies. Second, networks produced by our pipeline enable the development of graph-theoretic metrics that consider the properties of network components in addition to its topology. Measures of network complexity, such as degree distribution, reachability analyses, temporal analysis, and community detection may be adapted to indicate adversarial organizational influence. Our intent is to provide an extensible, machine-actionable approach to quickly communicate such models, reproduce previous results, and adapt them to new, unanticipated situations.

97 MATHEMATICS AND COMPUTING↗

Evaluation of the effects of varying moisture contents on microwave thermal emissions from agriculture fields

Three tasks related to soil moisture sensing at microwave wavelengths were undertaken: (1) analysis of data at L, X and K sub 21 band wavelengths over bare and vegetated fields from the 1975 NASA sponsored flight experiment over Phoenix, Arizona; (2) modeling of vegetation canopy at microwave wavelengths taking into consideration both absorption and volume scattering effects; and (3) investigation of overall atmospheric effects at microwave wavelengths that can affect soil moisture retrieval. Data for both bare and vegetated fields are found to agree well with theoretical estimates. It is observed that the retrieval of surface and near surface soil moisture information is feasible through multi-spectral and multi-temporal analysis. It is also established that at long wavelengths, which are optimal for surface sensing, atmospheric effects are generally minimal. At shorter wavelengths, which are optimal for atmosheric retrieval, the background surface properties are also established.

Burke, H. H. K.↗

A Data Processing Pipeline for Adversarial Socio-Technical Network Analysis

With the rapid adoption of emerging technologies, there is a need to catalog and model sociotechnical interdependencies that have been historically used to influence the operation of Critical Infrastructure networks including the impacts of mergers and acquisitions, hostile takeovers, and foreign investment. Our research intends to address this need with two primary contributions. First, we have developed a data curation and processing pipeline to generate sociotechnical networks extracted from a variety of data sources including SEC filings and infrastructure asset databases. The pipeline, implemented in Apache Airflow, extracts and normalizes the representation of entities and relations, specified within ontologies. Our intent is to provide an extensible, machine-actionable approach to quickly communicate such models, reproduce previous results, and adapt them to new, unanticipated situations. Second, networks produced by our pipeline enable the development of graph-theoretic metrics that consider the properties of network components in addition to its topology. Metadata associated with network components---whether semantic, temporal, or geospatial---affects the alignment of generated networks with assumptions underlying complexity metrics. Validation of generated networks relative to component types defined by an ontology, may allow the research community to adapt metrics to the semantics of the domains being studied. Generated networks may be processed as knowledge, dynamic, or spatial graphs and enables a variety of analyses including automated reasoning and measures of network complexity. Automated reasoning views extracted entities and relations as a knowledge graph; this enables application of inference rules that represent historically-attested adversarial business methods and applies that behavior to a specific geographic context. Measures of network complexity, including degree distribution, reachability analyses, temporal analysis, and community detection can be adapted to indicate adversarial organizational influence.

97 MATHEMATICS AND COMPUTING↗

Machine Learning-Assisted Recovery of Delicate Kinetic Information from Transient Reactor Experiments

Identifying active sites and their roles in chemical reaction steps remains a vital challenge in heterogeneous catalysis. Transient experiments offer a unique way to probe active sites and distinguish subtle kinetic features. Although physics-based analysis methods may be well-developed, they can be highly susceptible to experimental noise, and smoothing methods may erase or even distort important features; a smooth curve is not always the best curve. We demonstrate a new workflow for the direct interpretation of intrinsic kinetic information from exit flux curves measured in transient reactor experiments. This workflow contains three artificial neural networks (ANNs), including a noise reducer, a concentration predictor, and a rate predictor to analyze experimental data, followed by the virtual TAP (VTAP) physics-based reactor model and density functional theory (DFT) calculations of adsorption energies on specific sites. We use this workflow to analyze the data from experiments titrating Pt/Al 2 O 3 and Pt/SiO 2 catalysts with carbon monoxide (CO) in the temporal analysis of products (TAP) reactor. Our workflow separates the time-evolving chemical reaction and mass transfer information contained in the TAP pulse response. The existence of strong- and weak-binding sites on the Pt/Al 2 O 3 catalyst is observed in the catalyst titration experiment in the transient reactor. The structures of the strong- and weak-binding sites are then identified by using DFT calculations. We find that the Pt/SiO 2 catalyst has only strong-binding sites, which aligns with the inactive support effect of SiO 2 . We demonstrate how machine learning methods provide unique insights with high-resolution data analysis that cannot be achieved by using state-of-the-art physics-based methods.

Adsorption↗

Damage Detection of CFRP Plates by Full-Spectral Analysis of a Fibre Bragg Grating Sensor Signal

This paper describes the measurement of average strain, strain distribution and vibration of cantilever beam made of Carbon Fiber Reinforced Plastics (CFRP), using a single Fibre Bragg Grating (FBG) sensor mounted on the beam surface. Average strain is determined from the displacement of the peak wavelength of reflected light from the FBG sensor. Unstrained reference FBG sensors were used to compensate for temperature drift and the photoelastic coefficient (P{sub e}), which was used to calculate the gauge factor. Measured strains agree with those measured by a resistance foil strain gauge attached to the sample. Stress distributions are measured by monitoring the variation in the full width half maximum (FWHM) values of the reflected spectrum, using a proposed optical analytical model, described in the paper. FWHM values were measured for both the cantilever test beam and a for a reference beam, loaded using a four-point bending rig. The trend of the stress distribution for the test beam matches with our analytical model, however with a relatively large noise present in the experimentally determined data. The vibration of cantilever beam was measured by temporal analysis of the peak reflection wavelength. This technique is very stable as measurements are not affected by variations in the signal amplitude. Finally an application of FBG sensors for damage detection of CFRP plates is demonstrated, by measuring the average strain and natural frequency. With small defects of different sizes applied to the CFRP plate, average strains were seen to increase with damage size and the natural frequency decreased with damage size.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Approximation Framework of Embodied Energy of Safety: Insights and Analysis

Transportation safety, as a critical component of an efficient and reliable transportation system, has been extensively studied with respect to societal economic impacts by transportation agencies and policy officials. However, the embodied energy impact of safety, other than induced congestion, is lacking in studies. This research proposes an energy equivalence of safety (EES) framework to provide a holistic view of the long-term energy and fuel consequences of motor vehicle crashes, incorporating both induced congestion and impacts from lost human productivity resulting from injury and fatal accidents and the energy content resulting from all consequences and activities from a crash. The method utilizes a ratio of gross domestic product (GDP) to national energy consumed in a framework that bridges the gap between safety and energy, leveraging extensive studies of the economic impact of motor vehicle crashes. The energy costs per fatal, injury, and property-damage-only (PDO) crashes in gasoline gallon equivalent (GGE) in 2017 were found to be 200,259, 4442, and 439, respectively, which are significantly greater than impacts from induced congestion alone. The results from the motor vehicle crash data show a decreasing trend of EES per crash type from 2010 and 2017, due primarily in part to a decreasing ratio of total energy consumed to GDP over those years. In addition to the temporal analysis, we conducted a spatial analysis addressing national-, state-, and local-level EES comparisons by using the proposed framework, illustrating its applicability.

99 GENERAL AND MISCELLANEOUS↗

Detailed analysis of latencies in image-based dynamic MLC tracking

Purpose: Previous measurements of the accuracy of image-based real-time dynamic multileaf collimator (DMLC) tracking show that the major contributor to errors is latency, i.e., the delay between target motion and MLC response. Therefore the purpose of this work was to develop a method for detailed analysis of latency contributions during image-based DMLC tracking. Methods: A prototype DMLC tracking system integrated with a linear accelerator was used for tracking a phantom with an embedded fiducial marker during treatment delivery. The phantom performed a sinusoidal motion. Real-time target localization was based on x-ray images acquired either with a portal imager or a kV imager mounted orthogonal to the treatment beam. Each image was stored in a file on the imaging workstation. A marker segmentation program opened the image file, determined the marker position in the image, and transferred it to the DMLC tracking program. This program estimated the three-dimensional target position by a single-imager method and adjusted the MLC aperture to the target position. Imaging intervals {Delta}T{sub image} from 150 to 1000 ms were investigated for both kV and MV imaging. After the experiments, the recorded images were synchronized with MLC log files generated by the MLC controller and tracking log files generated by the tracking program. This synchronization allowed temporal analysis of the information flow for each individual image from acquisition to completed MLC adjustment. The synchronization also allowed investigation of the MLC adjustment dynamics on a considerably finer time scale than the 50 ms time resolution of the MLC log files. Results: For {Delta}T{sub image}=150 ms, the total time from image acquisition to completed MLC adjustment was 380{+-}9 ms for MV and 420{+-}12 ms for kV images. The main part of this time was from image acquisition to completed image file writing (272 ms for MV and 309 ms for kV). Image file opening (38 ms), marker segmentation (4 ms), MLC position calculation (16 ms), and MLC adjustment (52 ms) were considerably faster. For {Delta}T{sub image}=1000 ms, the total time from image acquisition to completed MLC adjustment increased to 1030{+-}62 ms (MV) and 1330{+-}52 ms (kV) mainly because of delayed image file writing. The MLC adjustment duration was constant 52 ms ({+-}3 ms) for MLC adjustments below 1.1 mm and increased linearly for larger MLC adjustments. Conclusions: A method for detailed time analysis of each individual real-time position signal for DMLC tracking has been developed and applied to image-based tracking. The method allows identification of the major contributors to latency and therefore a focus for reducing this latency. The method could be an important tool for the reconstruction of the delivered target dose during DMLC tracking as it provides synchronization between target motion and MLC motion.

60 APPLIED LIFE SCIENCES↗

An extremely luminous and variable ultraluminous X-ray source in the outskirts of Circinus observed with NuSTAR

Following a serendipitous detection with the Nuclear Spectroscopic Telescope Array (NuSTAR), we present a multi-epoch spectral and temporal analysis of an extreme ultraluminous X-ray source (ULX) located in the outskirts of the Circinus galaxy, hereafter Circinus ULX5, including coordinated XMM-Newton+NuSTAR follow-up observations. The NuSTAR data presented here represent one of the first instances of a ULX reliably detected at hard (E > 10 keV) X-rays. Circinus ULX5 is variable on long time scales by at least a factor of ∼5 in flux, and was caught in a historically bright state during our 2013 observations (0.3-30.0 keV luminosity of 1.6 × 10{sup 40} erg s{sup –1}). During this epoch, the source displayed a curved 3-10 keV spectrum, broadly similar to other bright ULXs. Although pure thermal models result in a high energy excess in the NuSTAR data, this excess is too weak to be modeled with the disk reflection interpretation previously proposed to explain the 3-10 keV curvature in other ULXs. In addition to flux variability, clear spectral variability is also observed. While in many cases the interpretation of spectral components in ULXs is uncertain, the spectral and temporal properties of all the high quality data sets currently available strongly support a simple disk-corona model reminiscent of that invoked for Galactic binaries, with the accretion disk becoming more prominent as the luminosity increases. However, although the disk temperature and luminosity are well correlated across all time scales currently probed, the observed luminosity follows L∝T {sup 1.70±0.17}, flatter than expected for simple blackbody radiation. The spectral variability displayed here is highly reminiscent of that observed from known Galactic black hole binaries (BHBs) at high luminosities. This comparison implies a black hole mass of ∼90 M {sub ☉} for Circinus ULX5. However, given the diverse behavior observed from Galactic BHB accretion disks, this mass estimate is still uncertain. Finally, the limits placed on any undetected iron absorption features with the 2013 data set imply that we are not viewing the central regions of Circinus ULX5 through any extreme super-Eddington outflow.

79 ASTRONOMY AND ASTROPHYSICS↗

An Extremely Luminous and Variable Ultraluminous X-ray Source in the Outskirts of Circinus Observed with Nustar

Following a serendipitous detection with the Nuclear Spectroscopic Telescope Array (NuSTAR), we present a multiepoch spectral and temporal analysis of an extreme ultraluminous X-ray source (ULX) located in the outskirts of the Circinus galaxy, hereafter Circinus ULX5, including coordinated XMM-Newton+NuSTAR follow-up observations. The NuSTAR data presented here represent one of the first instances of a ULX reliably detected at hard (E greater than 10 keV) X-rays. CircinusULX5is variable on long time scales by at least a factor of approx. 5 in flux, and was caught in a historically bright state during our 2013 observations (0.3-30.0 keV luminosity of 1.6 × 10(exp 40) erg s(exp−1)). During this epoch, the source displayed a curved 3-10 keV spectrum, broadly similar to other bright ULXs. Although pure thermal models result in a high energy excess in the NuSTAR data, this excess is too weak to be modeled with the disk reflection interpretation previously proposed to explain the 3-10 keV curvature in other ULXs. In addition to flux variability, clear spectral variability is also observed. While in many cases the interpretation of spectral components in ULXs is uncertain, the spectral and temporal properties of all the high quality data sets currently available strongly support a simple disk-corona model reminiscent of that invoked for Galactic binaries, with the accretion disk becoming more prominent as the luminosity increases. However, although the disk temperature and luminosity are well correlated across all time scales currently probed, the observed luminosity follows L alpha T (exp 1.70+/-0.17), flatter than expected for simple blackbody radiation. The spectral variability displayed here is highly reminiscent of that observed from known Galactic black hole binaries (BHBs) at high luminosities. This comparison implies a black hole mass of approx. 90M for Circinus ULX5. However, given the diverse behavior observed from Galactic BHB accretion disks, this mass estimate is still uncertain. Finally, the limits placed on any undetected iron absorption features with the 2013 data set imply that we are not viewing the central regions of Circinus ULX5 through any extreme super-Eddington outflow.

black hole physics↗

Effect of Baseline Period on Quantification of Climate Extremes over the United States

Extreme weather events, including heatwaves, heavy precipitation, and drought, have a large impact on society through human health, destruction of infrastructure, ecological change, and economic losses. Reanalyses such as NASA’s Modern Era Retrospective Analysis, version 2 (MERRA-2) are a valuable tool for analyzing past extreme events to determine their underlying causes and how extremes have changed over the past four decades. The detection of extreme events relies on a threshold for precipitation or temperature that is derived using a reference period, which can then be used to determine how extreme an event was or what the return period is. Operational centers typically use a 30-year climatology period that shifts in time every ten years, while the World Meteorological Organization suggests that the maximum amount of data should be included for the detection of extreme events due to their rare occurrence. As global and regional climate continues to change, the interpretation of extreme events is reliant on the baseline period that is used for the underlying thresholds and can be a source of uncertainty for the policy making community. Three baseline periods – 1981-2010, 1991-2020, and 1981-2020 – will be used to compute percentiles of temperature and precipitation across the contiguous United States and will then by employed to determine monthly indices representing heatwaves, cold spells, and extreme precipitation events. A spatial and temporal analysis of the resulting extreme weather indices will demonstrate the appropriateness for each baseline period for the evaluation of extreme events.

Extremes↗

Temporal Galactose‐Manganese Feeding in Fed‐Batch and Perfusion Bioreactors Modulates UDP‐Galactose Pools for Enhanced mAb Glycosylation Homogeneity

ABSTRACT Monoclonal antibodies (mAbs) represent a majority of biotherapeutics in the market today. These glycoproteins undergo posttranslational modifications, such as N‐linked glycosylation, that influence the structural & functional characteristics of the antibody. Glycosylation is a heterogenous posttranslational modification that may influence therapeutic glycoprotein stability and clinical efficacy, which is why it is often considered a critical quality attribute (CQA) of the mAb product. While much is known about the glycosylation pathways of Chinese Hamster Ovary (CHO) cells and how cell culture chemical modifiers may influence the N‐glycosylation profile of the final product, this knowledge is often based on the final cumulative glycan profile at the end of the batch process. Building a temporal understanding of N‐glycosylation and how mAb glycoform composition responds to real‐time changes in the biomanufacturing process will help build integrated process models that may allow for glycosylation control to produce a more homogenous product. Here, we look at the effect of specific nutrient feed media additives (e.g., galactose, manganese) and feeding times on the N‐glycosylation pathway to modulate N‐glycosylation of a Herceptin biosimilar mAb (i.e., Trastuzumab). We deploy the N‐GLYcanyzer process analytical technology (PAT) to monitor glycoforms in near real‐time for bench‐scale bioprocesses operated in both fed‐batch and perfusion modes to build an understanding of how temporal changes in mAb N‐glycosylation are dependent on specific media additives. We find that Trastuzumab terminal galactosylation is sensitive to media feeding times and intracellular nucleotide sugar pools. Temporal analysis reveals an increased desirable production of single and double galactose‐occupied glycoforms over time under glucose‐starved fed‐batch cultures. Comparable galactosylation profiles were also observed between fed‐batch (nutrient‐limited) and perfusion (non‐nutrient‐limited) bioprocess conditions. In summary, our results demonstrate the utility of real‐time monitoring of mAb glycoforms and feeding critical cell culture nutrients under fed‐batch and perfusion bioprocessing conditions to produce higher‐quality biologics.

Biotechnology & Applied Microbiology↗

Internal calibration of transient kinetic data via machine learning

The temporal analysis of products (TAP) reactor provides a vast amount of transient kinetic information that may be used to describe a variety of chemical features including residence time distributions, kinetic coefficients, number of active sites, reaction mechanism, etc. However, as with any measurement device, the TAP reactor signal is convoluted with noise and drift is common. In order to reduce the uncertainty of the kinetic measurement and any derived parameters or mechanisms, proper preprocessing must be performed prior to any advanced type of analysis. This preprocessing includes baseline correction, i.e., a shift in the voltage response, and calibration, i.e., a scaling of the flux response based on prior experiments. The traditional methodology of preprocessing requires significant user discretion and reliance on separate calibration experiments that may drift over time. Herein we use machine learning techniques combined with physical constraints to understand the noise and drift that is being generated within and between experiments for enhancement of the chemical kinetic signal. As such, the proposed methodology demonstrates clear benefits over the traditional preprocessing approach by eliminating the need for separate calibration experiments or heuristic input from the user.

36 MATERIALS SCIENCE↗

Applying geographic information systems to support strategic environmental assessment: Opportunities and limitations in the context of Irish land-use plans

The strengthening of spatial database infrastructures, further promoted by the INSPIRE Directive adopted in 2007, has led to an increased use of spatial data in planning and decision-making. Given that land-use plans are intrinsically spatial, such evidence and approaches can significantly benefit plan-making. A spatial framework could especially support the specific Strategic Environmental Assessment (SEA) aspects of the plan-making process. Spatial tools such as Geographic Information Systems (GIS) are particularly well-placed to support the environmental integration sought in SEA by providing evidence through the spatial assessment of multiple environmental datasets. Moreover, GIS bring the opportunity to augment conventional assessment techniques (e.g. matrix-based assessments) by acting as visual mediators of spatial knowledge and by providing an effective tool for the spatial and temporal analysis of environmental impacts. This paper presents a GIS-based approach to SEA (GISEA), and analyses the above premise by evaluating the barriers, limitations, opportunities and benefits of its implementation. The GISEA approach has been applied to seven development plans of differing scales in the Republic of Ireland. The results of the case studies revealed that current issues in SEA (e.g. restricted time-frames and institutional arrangements) condition the implementation of a GIS-based approach. Moreover, GIS expertise, data accessibility and quality remain limiting factors to an effective GIS application in SEA. However, the results also confirmed that GIS have the potential to increase the objectivity and accuracy of the assessment, enhance both the understanding of environmental and planning considerations and the delivery of information, and, therefore, help to improve the effectiveness of SEA practice.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

On the outdoor thermal perception and comfort of a Mediterranean subject across other Koppen-Geiger's climate zones

Highlights: • Thermal perception for a Mediterranean normotype in the world. • Use of the Mediterranean Outdoor Comfort Index (MOCI). • Annual hourly distribution of the MOCI in the most visited cities of each continent. • Frequencies and percentiles of the average weekly thermal perception's values. • Mapping of the MOCI seasonal average values in the world. The climatic conditions characterizing the troposphere affect the outdoor activities of the population which, in turn, characterize the anthroposphere. Over the past years recent studies examined a possible analytical definition of the outdoor thermal comfort for different types of population acclimatized to their specific residency area. Thanks to the use of the MOCI (Mediterranean Outdoor Comfort Index: an index used to predict the thermal perception of the Mediterranean population in an outdoor environment), the present study aimed at analyzing the psychophysiological response of a Mediterranean subject with respect to climatic conditions different from the original ones after having experienced a quick change. Indeed, thermal stress and discomfort might affect deeply the ability of the subject to carry out outdoor activities. This condition determines the necessity of possessing useful information to plan the best period to perform a journey in distant places and/or perform useful actions that will make the outdoor activity as much comforting as possible (choosing the proper clothes with the right thermal insulation). For this reason, the worldwide environmental conditions during an average year were examined. To be more specific, this study focused its attention on the editing of seasonal spatial maps with the MOCI level curves and on the temporal analysis of the MOCI values characterizing those 6 different cities (one for each continent) reporting the higher number of foreign arrivals.

54 ENVIRONMENTAL SCIENCES↗

Spatial and temporal baseline of perfluorooctanesulfonic acid retained in sediment core samples from Puget Sound, Washington, USA

Per- and poly-fluorinated alkyl substances (PFAS) are a group of highly persistent synthetic chemicals utilized in many industrial and consumer products, and — most significantly toward introduction to the marine environment — in fire-fighting foams. Recently, PFAS have been linked to adverse health effects, prompting the need to understand transport and fate. Puget Sound’s main basin, hosting densely populated urban and industrial areas, is known to be contaminated with various persistent organic pollutants and provides a central focus for ecosystem monitoring. Perfluorooctanesulfonic acid, a manufactured PFAS and biodegradation product, partitions to marine sediments and thus can be used as a primary indicator toward regulatory efforts. The current study offers a spatial and temporal analysis of the Puget Sound from cores collected adjacent, Tacoma and Seattle, WA, as well as cores from central Hood Canal and Carr Inlet.

Per- and poly-fluorinated alkyl substances (PFAS),↗

Oxygen and CO adsorption on Au/SiO 2 catalysts prepared by magnetron sputtering: The role of gold subsurface

Temporal Analysis of Products (TAP) reactor system is used to investigate CO oxidation behavior on Au/SiO 2 catalysts prepared via the physical vapor deposition method magnetron sputtering. Au/SiO 2 catalysts are a valuable model system for studying the reactivity of Au nanoparticles, since the SiO 2 support plays little role in the reaction. The adsorption of CO on the catalyst was studied under TAP vacuum conditions and at different temperatures. The heat of CO adsorption estimated from TAP results by moment analysis is -23.9 kJ/mol which is high compared to heat of CO adsorption reported by other TAP groups studying Au/TiO 2 catalysts [29]. The reaction over the catalyst pretreated with oxygen under different pretreatment pressures (vacuum pressures to 33.66 psia) was studied under TAP vacuum conditions via CO titration. It was found that the amount of oxygen available on the surface for CO oxidation is proportional to the pretreatment pressure.

36 MATERIALS SCIENCE↗

Formation of Surface Impurities on Lithium–Nickel–Manganese–Cobalt Oxides in the Presence of CO 2 and H 2 O

Surface impurities involving parasitic reactions and gas evolution contribute to the degradation of high Ni content LiNi x Mn y Co z O 2 (NMC) cathode materials. The transient kinetic technique of Temporal Analysis of Products (TAP), density functional theory, and infrared spectroscopy have been used to study the formation of surface impurities on varying nickel content NMC materials (NMC811, NMC622, NMC532, NMC433, NMC111) in the presence of CO 2 and H 2 O. CO 2 reactivity on a clean surface as characterized by CO 2 conversion rate in the TAP reactor follows the order: NMC811 > NMC622 > NMC532 > NMC433 > NMC111. The capacity of CO 2 uptake follows a different order: NMC532 > NMC433 > NMC622 > NMC811 > NMC111. Moisture pretreatment slows down the direct CO 2 adsorption process and creates additional active sites for CO 2 adsorption. Electronic structure calculations predict that the (012) surface is more reactive than the ($10\bar{1}4$) surface for CO 2 and H 2 O adsorption. CO 2 adsorption leading to carbonate formation is exothermic with formation of ion pairs. The average CO 2 binding energies on the different materials follow the CO 2 reactivity order. Water hydroxylates the (012) surface and surface OH groups favor bicarbonate formation. Water creates more active sites for CO 2 adsorption on the ($10\bar{1}4$) surface due to hydrogen bonding. The composition of surface impurities formed in ambient air exposure is dependent on water concentration and the percentage of different crystal planes. Different surface reactivities suggest that battery performance degradation due to surface impurities can be mitigated by precise control of the dominant surfaces in NMC materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Continental-Scale Estimate of Soil Organic Carbon Change at NEON Sites and Their Environmental and Edaphic Controls

Current carbon cycle models focus on the effects of climate and land-use change on primary productivity and microbial-mineral dependent carbon turnover in the topsoil, while less attention has been paid to vertical soil processes and soil-dependent response to land-use change along the profile. In this study, a spatial-temporal analysis was used to estimate soil organic carbon (SOC) change in topsoil/A horizon and subsoil/B horizon at National Ecological Observatory Network (NEON) sites, USA over 30 years. To separate the effects of land-use, environmental, and edaphic factors on SOC change, space-for-time substitution was used in combination with the Continuous Change Detection and Classification algorithm and Structural Equation Modeling. Results showed that (a) under natural vegetation, Spodosols and Inceptisols found in the eastern NEON sites had substantial topsoil SOC accumulation (+0.4 to +1.2 Mg C ha –1 year –1 ), while Inceptisols and Andisols in the west had a comparable magnitude of topsoil SOC loss (–0.5 to –1.8 Mg C ha –1 year –1 ); (b) Mollisols and Alfisols in the Central Plains sites were susceptible to significant SOC loss under farming and grazing; (c) Runoff/erosion and leaching potential, vertical translocation, and mineral sorption were the most important factors controlling SOC variation across the NEON sites. Our work could be used to parameterize ecosystem models simulating SOC change.

54 ENVIRONMENTAL SCIENCES↗