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At least 505 records · Page 28

Wear Behavior of Ti-Al{sub 2}O{sub 3} Biocomposites in 9 g/L NaCl Solution

Ti-based biocomposites reinforced with Al{sub 2}O{sub 3} particles were processed by powder metallurgy. Wear behavior was investigated by reciprocating wear tests in 9 g/L NaCl solution. The effect of Al{sub 2}O{sub 3} volume fraction, normal load, frequency and sliding time was studied using 2{sup 4} full factorial design method. Statistical analysis showed that normal load and frequency, together with the interaction between the reinforcement volume fraction and normal load, was statistically significant on the wear volume loss. The fragmentation of the reinforcement particles during sliding was considered as the key factor in the wear resistance of Ti-Al{sub 2}O{sub 3} composites.

36 MATERIALS SCIENCE↗

Towards understanding the formation of internal fragments generated by collisionally activated dissociation for top-down mass spectrometry

Top-down mass spectrometry (TD-MS) generates fragment ions that returns information on the polypeptide amino acid sequence. In addition to terminal fragments, internal fragments that result from multiple cleavage events can also be formed. Traditionally, internal fragments are largely ignored due to a lack of available software to reliably assign them, mainly caused by a poor understanding of their formation mechanism. To accurately assign internal fragments, their formation process needs to be better understood. Here we applied a statistical method to compare fragmentation patterns of internal and terminal fragments of peptides and proteins generated by collisionally activated dissociation (CAD). Internal fragments share similar fragmentation propensities with terminal fragments (e.g., enhanced cleavages N-terminal to proline and C-terminal to acidic residues), suggesting that their formation follows conventional CAD pathways. Internal fragments should be generated by subsequent cleavages of terminal fragments and their formation can be explained by the well-known mobile proton model. Additionally, internal fragments can be coupled with terminal fragments to form complementary product ions that span the entire protein sequence. These enhance our understanding of internal fragment formation and can help improve sequencing algorithms to accurately assign internal fragments, which will ultimately lead to more efficient and comprehensive TD-MS analysis of proteins and proteoforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A data science approach for analysis and reconstruction of spinodal-like composition fields in irradiated FeCrAl alloys

A statistical method for the analysis of continuously distributed data representative of composition fluctuations in irradiated FeCrAl alloys acquired using Energy Dispersive X-ray Spectroscopy (EDS) method is presented. Using probability distribution functions, direct and cross-covariances between the elemental compositions, the effects of alloy composition and irradiation dose were investigated on the spatial distribution and length scale of composition fluctuations at the nanoscale. We have observed that, for neutron-irradiated FeCrAl alloys, the distribution of Fe and Cr followed a left-skewed and right-skewed distribution, respectively for all (average) alloy compositions and irradiation doses. The analysis also revealed enhanced spatial gradients in the elemental compositions at higher irradiation dose. Direct and cross-covariance estimates of the experimental data were also utilized for reconstruction of composition data through fitting it to a parametric form of the covariance functions. Linear Model of Coregionalization was used to determine the parameters of the covariance functions. Subsequently, a spectral method was utilized for simulating a realization of the alloy compositions. Close correspondence was observed between the experimental and the reconstructed data which was analyzed using probability distribution functions and covariance functions. Composition space of the experimental and reconstructed data and dislocation velocities as a function of applied stress and line directions over the entire composition maps were also examined.

36 MATERIALS SCIENCE↗

Biotic and climatic controls on interannual variability in carbon fluxes across terrestrial ecosystems

Interannual variability (IAV, represented by standard deviation) in net ecosystem exchange of CO 2 (NEE) is mainly driven by climatic drivers and biotic variations (i.e., the changes in photosynthetic and respiratory responses to climate), the effects of which are referred to as climatic (CE) and biotic effects (BE), respectively. Evaluating the relative contributions of CE and BE to the IAV in carbon (C) fluxes and understanding their controlling mechanisms are critical in projecting ecosystem changes in the future climate. In this study, we applied statistical methods with flux data from 65 sites located in the Northern Hemisphere to address this issue. Our results showed that the relative contribution of BE (CnBE) and CE (CnCE) to the IAV in NEE was 57% ± 14% and 43% ± 14%, respectively. The discrepancy in the CnBE among sites could be largely explained by water balance index (WBI). Across water-stressed ecosystems, the CnBE decreased with increasing aridity (slope = 0.18% mm –1 ). In addition, the CnBE tended to increase and the uncertainty reduced as timespan of available data increased from 5 to 15 years. Inter-site variation of the IAV in NEE mainly resulted from the IAV in BE (72%) compared to that in CE (37%). Interestingly, positive correlations between BE and CE occurred in grasslands and dry ecosystems (r > 0.45, P < 0.05) but not in other ecosystems. Furthermore, these results highlighted the importance of BE in determining the IAV in NEE and the ability of ecosystems to regulate C fluxes under climate change might decline when the ecosystems experience more severe water stress in the future.

54 ENVIRONMENTAL SCIENCES↗

Quantitative resilience evaluation on recovery from emergency situations in nuclear power plants

Here, this paper mainly introduces how to develop a resilience evaluation model by quantifying the relationship between resilience and resilience components in regard to recovering from emergency situations in nuclear power plants (NPPs). It is an extension of the author’s previous researches. To develop the model, the first step was to analyze event reports published in Republic of Korea in terms of resilience factors from different safety perspectives. Second, statistical methods such as factor analysis, principal component analysis, and multivariate regression analysis were applied to the dataset to identify relations among resilience factors and develop a quantitative resilience evaluation model for recovery from emergency situations in NPPs. Third, the model was validated using the recent event report data released in Korea. Lastly, we present a discussion on how to apply the quantitative resilience evaluation model to results from stress tests performed in Korea.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Electric load shape benchmarking for small- and medium-sized commercial buildings

Small- and medium-sized commercial buildings owners and utility managers often look for opportunities for energy cost savings through energy efficiency and energy waste minimization. However, they currently lack easy access to low-cost tools that help interpret the massive amount of data needed to improve understanding of their energy use behaviors. Benchmarking is one of the techniques used in energy audits to identify which buildings are priorities for an energy analysis. Traditional energy performance indicators, such as the energy use intensity (annual energy per unit of floor area), consider only the total annual energy consumption, lacking consideration of the fluctuation of energy use behavior over time, which reveals the time of use information and represents distinct energy use behaviors during different time spans. To fill the gap, this study developed a general statistical method using 24-hour electric load shape benchmarking to compare a building or business/tenant space against peers. Specifically, the study developed new forms of benchmarking metrics and data analysis methods to infer the energy performance of a building based on its load shape. We first performed a data experiment with collected smart meter data using over 2,000 small- and medium-sized businesses in California. We then conducted a cluster analysis of the source data, and determined and interpreted the load shape features and parameters with peer group analysis. Finally, we implemented the load shape benchmarking feature in an open-access web-based toolkit (the Commercial Building Energy Saver) to provide straightforward and practical recommendations to users. The analysis techniques were generic and flexible for future datasets of other building types and in other utility territories.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Sensitivity of the Cherenkov Telescope Array to spectral signatures of hadronic PeVatrons with application to Galactic Supernova Remnants

The local Cosmic Ray (CR) energy spectrum exhibits a spectral softening at energies around 3 PeV. Sources which are capable of accelerating hadrons to such energies are called hadronic PeVatrons. However, hadronic PeVatrons have not yet been firmly identified within the Galaxy. Several source classes, including Galactic Supernova Remnants (SNRs), have been proposed as PeVatron candidates. The potential to search for hadronic PeVatrons with the Cherenkov Telescope Array (CTA) is assessed. The focus is on the usage of very high energy γ-ray spectral signatures for the identification of PeVatrons. Assuming that SNRs can accelerate CRs up to knee energies, the number of Galactic SNRs which can be identified as PeVatrons with CTA is estimated within a model for the evolution of SNRs. Additionally, the potential of a follow-up observation strategy under moonlight conditions for PeVatron searches is investigated. Statistical methods for the identification of PeVatrons are introduced, and realistic Monte-Carlo simulations of the response of the CTA observatory to the emission spectra from hadronic PeVatrons are performed. Based on simulations of a simplified model for the evolution for SNRs, the detection of a γ-ray signal from in average 9 Galactic PeVatron SNRs is expected to result from the scan of the Galactic plane with CTA after 10 h of exposure. Finally, CTA is also shown to have excellent potential to confirm these sources as PeVatrons in deep observations with $\mathscr{O}$ (100) hours of exposure per source.

79 ASTRONOMY AND ASTROPHYSICS↗

Predicting RNA structure and dynamics with deep learning and solution scattering

Advanced deep learning and statistical methods can predict structural models for RNA molecules. However, RNAs are flexible, and it remains difficult to describe their macromolecular conformations in solutions where varying conditions can induce conformational changes. Small-angle x-ray scattering (SAXS) in solution is an efficient technique to validate structural predictions by comparing the experimental SAXS profile with those calculated from predicted structures. There are two main challenges in comparing SAXS profiles to RNA structures: the absence of cations essential for stability and charge neutralization in predicted structures and the inadequacy of a single structure to represent RNA’s conformational plasticity. We introduce a solution conformation predictor for RNA (SCOPER) to address these challenges. This pipeline integrates kinematics-based conformational sampling with the innovative deep learning model, IonNet, designed for predicting Mg 2+ ion binding sites. Validated through benchmarking against 14 experimental data sets, SCOPER significantly improved the quality of SAXS profile fits by including Mg 2+ ions and sampling of conformational plasticity. We observe that an increased content of monovalent and bivalent ions leads to decreased RNA plasticity. Therefore, carefully adjusting the plasticity and ion density is crucial to avoid overfitting experimental SAXS data. SCOPER is an efficient tool for accurately validating the solution state of RNAs given an initial, sufficiently accurate structure and provides the corrected atomistic model, including ions.

59 BASIC BIOLOGICAL SCIENCES↗

Bayesian calibration of thermodynamic parameters for geochemical speciation modeling of cementitious materials

Chemical equilibrium modeling of cementitious materials requires aqueous-solid equilibrium constants of the controlling mineral phases (K{sub sp}) and the available concentrations of primary components. Inherent randomness of the input and model parameters, experimental measurement error, the assumptions and approximations required for numerical simulation, and inadequate knowledge of the chemical process contribute to uncertainty in model prediction. A numerical simulation framework is developed in this paper to assess uncertainty in K{sub sp} values used in geochemical speciation models. A Bayesian statistical method is used in combination with an efficient, adaptive Metropolis sampling technique to develop probability density functions for K{sub sp} values. One set of leaching experimental observations is used for calibration and another set is used for comparison to evaluate the applicability of the approach. The estimated probability distributions of K{sub sp} values can be used in Monte Carlo simulation to assess uncertainty in the behavior of aqueous-solid partitioning of constituents in cement-based materials.

36 MATERIALS SCIENCE↗

Time-dependent behavioral data from zebrafish reveals novel signatures of chemical toxicity using point of departure analysis

High-content imaging of embryonic zebrafish behavior can be used as a screening approach to rapidly evaluate the relative potential for chemicals to cause toxicity. However, most statistical methods applied to these data so far transform movement values to incidence-based “hits” and calculate lowest effect levels (LELs), which loses individual fish resolution of behavior and defies hazard ranking due to reliance on applied dose levels. Here, we have developed and parallelized a workflow to calculate benchmark dose (BMD) values from dynamic, high-content zebrafish behavior data that scales for high-throughput chemical screening. To appropriately capture the dynamics of zebrafish response from light to dark stimulus, we summarized time-dependent data using both area under the curve and immediate change at the transition point into two novel metrics that characterized abnormal behavior as a function of chemical concentration. The BMD workflow was applied to calculate BMD 10 values of 1,060 ToxCast chemicals for 24 zebrafish endpoints, including behavior, mortality and morphology. The BMD 10 values provided better precision and separation than LELs for clustering chemicals since they were derived from models that best-fit their concentration-response curves. Clustering analysis revealed behavioral signatures as the most sensitive endpoints. High concordance in chemical activity was observed between ToxCast assays and zebrafish behavioral endpoints, however ToxPi analysis indicated that rankings based on in vitro data was not a reliable predictor of in vivo rankings for lower potency chemicals. The methods developed in this work will enable the use of high-content zebrafish behavioral screening data for BMD analysis in toxicological hazard assessment.

59 BASIC BIOLOGICAL SCIENCES↗

Distributed renewable energy resource trust metrics and secure routing

To ensure reliable and predictable service in the electrical grid between distributed renewable distributed energy resources (DERs) it is important to gauge the level of trust present within critical components and DER aggregators (DERAs). Although trust throughout a smart grid is temporal and dynamically varies according to measured states, it is possible to accurately formulate communications and service level strategies based on such trust measurements. Utilizing an effective set of machine learning and statistical methods, it is shown that establishment of trust levels between DERAs using behavioral pattern analysis is possible. Further, it is also shown that the establishment of such trust can facilitate simple secure communications routing between DERAs. Providing secure routing between DERAs enables a grid operator to maintain service level agreements to its customers, reduce the attack surface and increase operational resiliency.

97 MATHEMATICS AND COMPUTING↗

Shifts in historical streamflow extremes in the Colorado River Basin

The global phenomenon of climate change-induced shifts in precipitation leading to "wet regions getting wetter" and "dry regions getting drier" has been widely studied. However, the propagation of these changes in atmospheric moisture within stream channels is not a direct relationship due to differences in the timing of how changing precipitation patterns interact with various land surfaces. Streamflow is of particular interest in the Colorado River Basin (CRB) due to the region’s rapidly growing population, projected temperature increases that are expected to be higher than elsewhere in the contiguous United States, and subsequent climate-driven disturbances including drought, vegetation mortality, and wildfire, which makes the region more vulnerable to changes in hydrologic extremes. Here in this study, we determine how streamflow extremes have shifted in the CRB using two statistical methods—the Mann-Kendall trend detection analysis and Generalized Extreme Value (GEV) theorem. We evaluate these changes in the context of key flow metrics that include high and low flow percentiles, maximum and minimum 7-day flows, and the center timing of streamflow using historical gage records representative of natural flows. Monthly results indicate declines of up to 41% for high and low flows during the June to July peak runoff season, while increases of up to 24% were observed earlier from March to April. Finally, our results highlight a key threshold elevation and latitude of 2300 m and 39° North, respectively, where there is a distinct shift in the trend. The spatiotemporal patterns observed are indicative of changing snowmelt patterns as a primary cause of the shifts. Identification of how this change varies spatially has consequences for improved land management strategies, as specific regions most vulnerable to threats can be prioritized for mitigation or adaptation as the climate warms.

54 ENVIRONMENTAL SCIENCES↗

Data-driven occupant-behavior analytics for residential buildings

Many advances have been made in building technology to help save energy, but influencing the behavior of the occupants is still necessary to achieve low-energy use targets. One of the most practical ways to influence and change occupant behaviors is through incentives. Developing incentives for energy-saving and quantifying the impact of occupant behaviors are both active areas of research. Here, we propose a data analytics framework for detecting changes in occupant behaviors, which will help build an analytics feedback loop from behavior impact to incentive design. The framework has two major parts. The first forecasts energy consumption for each occupant, while the second determines a probability distribution for changes in energy consumption. The parts are interchangeable with other existing machine learning and statistical methods. A specific instantiation of the framework, using kernel ridge-regression for forecasting and k-means to find an empirical behavior distribution, is described in detail. An HVAC use-case with 5 different incentivized behaviors is used as an example to show that the framework can detect behavior changes induced by incentives. Furthermore, we show that some simpler behavior-change detection methods do not work, further justifying the use of advanced analytics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Technological growth of fuel efficiency in european automobile market 1975–2015

This paper looks at the technological growth of new car fleet fuel efficiency in the European Union between 1975 and 2015. According to the analysis results, from1975 to 2006 the fuel efficiency technology improvements were largely offset by vehicles' increased weight, engine size, and consumer amenities such as acceleration capacity. After 2006, downsizing in weight and engine capacity was observed in new car fleet, while fuel consumption decreased by 32% between 2006 and 2015. We adopt a statistical method and find that from 1975 to 2015, a 1% increase in weight would result in 0.3 to 0.5% increments in fuel consumption per 100 km, and a 1% reduction in 0-100 km/h acceleration time would increase fuel consumption by about 0.3%. Impacts of other attributes on fuel consumption are also assessed. To meet the European Union's 2021 fuel consumption target, downsizing of cars, as well as at least maintaining fuel efficiency technology growth trend observed between 2005 and 2015, are needed. Lastly, government policies on controlling improvement in acceleration performance or promoting alternative fuel vehicles are also important to achieve European Union 2021 target.

30 DIRECT ENERGY CONVERSION↗

The association between exposure to environmental factors and the occurrence of attention-deficit/hyperactivity disorder (ADHD). A population-based retrospective cohort study

Highlights: • We found a certain north-south pattern for the risk of occurrence of ADHD. • These clusters could be related to some of the environmental variables. • In particular, an increased risk of occurrence of ADHD was found. • Living less than 100 m from an agricultural area or a residential Street. • Living less than 300 m from a motorway/dual carriageway or an industrial estate. A number of factors contribute to attention deficit hyperactivity disorder (ADHD) and although they are not fully known, the occurrence of ADHD seems to be a consequence of an interaction between multiple genetic and environmental factors. However, apart from pesticides, the evidence is inadequate and inconsistent as it differs not only in the population and time period analysed, but also in the type of study, the control of the confounding variables and the statistical methods used. In the latter case, the studies also differ in the adjustment of spatial and temporal variability. Our objective here, is to provide evidence on an association between environmental factors and ADHD.

54 ENVIRONMENTAL SCIENCES↗

Analyzing urban ecosystem variation in the City of Dongguan: A stepwise cluster modeling approach

Highlights: • A stepwise cluster modeling approach is proposed for urban ecosystem simulation. • Nonlinear relationship is established among NDVI and multiple drivers. • Vegetation conditions get better gradually from the north to the south of Dongguan. • Ecosystem in the east of Dongguan is sensitive to growth of economy and population. In this study, a stepwise cluster modeling approach (SCMA) is developed for analyzing urban ecosystem variation via Normalized Difference Vegetation Index (NDVI). NDVI is an indicator of vegetation growth and coverage and useful in reflecting urban ecosystem. SCMA is established on a cluster tree that can characterize the complex relationship between independent and dependent variables. SCMA is applied to the City of Dongguan for simulating the urban NDVI and identifying associated drivers of human activity, topography and meteorology without specific functions. Results show that SCMA performances better than conventional statistical methods, illustrating the ability of SCMA in capturing the complex and nonlinear features of urban ecosystem. Results disclose that human activities play negative effects on NDVI due to the destruction of green space for pursuing more space for buildings. NDVI reduces gradually from the south part to the north part of Dongguan due to increased gross domestic product and population density, indicating that the ecosystem in Dongguan is better in the south part. NDVI in the northeast part (dominated by agriculture) is sensitive to the growth of economy and population. More attention should be paid to this part for sustainable development, such as increasing afforestation, planting grass and constructing parks. Precipitation has a positive effect on NDVI due to the promotion of soil moisture that is beneficial to plants’ growth. Awareness of these complexities is helpful for sustainable development of urban ecosystem.

54 ENVIRONMENTAL SCIENCES↗

Ambient air pollution and pregnancy outcomes: A comprehensive review and identification of environmental public health challenges

There is a growing number of studies on the association between ambient air pollution and adverse pregnancy outcomes, but their results have been inconsistent. Consequently, a comprehensive review of this research area is needed. There was a wide variability in studied pregnancy outcomes, observed gestational windows of exposure, observed ambient air pollutants, applied exposure assessment methods and statistical analysis methods Gestational duration, preterm birth, (low) birth weight, and small for gestational age/intrauterine growth restriction were most commonly investigated pregnancy outcomes. Gestational windows of exposure typically included were whole pregnancy period, 1st, 2nd, 3rd trimester, first and last gestational months. Preterm birth was the outcome most extensively studied across various gestational windows, especially at the beginning and at the end of pregnancy. Particulate matter, nitrogen dioxide, ozone, and carbon monoxide were the most commonly used markers of ambient air pollution. Continuous monitoring data were frequently combined with spatially more precisely modelled estimates of exposure. Exposure to particulate matter and ozone over the entire pregnancy was significantly associated with higher risk for preterm birth: the pooled effect estimates were 1.09 (1.03–1.16) per 10 μg/m{sup 3} increase in particulate matter with an aerodynamic diameter of 10 µm or less (PM{sub 10}){sub ,}1.24 (1.08–1.41) per 10 μg/m{sup 3} increase in particulate matter with an aerodynamic diameter of 2.5 µm or less (PM{sub 2.5}), and 1.03 (1.01–1.04) per 10 ppb increase in ozone. For pregnancy outcomes other than PTB, ranges of observed effect estimates were reported due to smaller number of studies included in each gestational window of exposure. Further research is needed to link the routine pregnancy outcome data with spatially and temporally resolved ambient air pollution data, while adjusting for commonly defined confounders. Methods for assessing exposure to mixtures of pollutants, indoor air pollution exposure, and various other environmental exposures, need to be developed.

54 ENVIRONMENTAL SCIENCES↗