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At least 775 records · Page 43

Monitoring Sulfuric Acid and Temperature Using Raman Spectroscopy and Multivariate Chemometrics

Multivariate regression models were optimized for the quantification of sulfuric acid (H 2 SO 4 ) [0–8 M] and temperature (20 °C–80 °C) in the presence of ammonium sulfate ((NH 4 ) 2 SO 4 [0–0.6 M]) using Raman spectroscopy. Optical vibrational spectroscopy is a useful nondestructive technique for the in situ analysis of complex chemical systems notoriously difficult to monitor in situ and in real-time. Multivariate analysis, a chemometrics method, can be paired with these nondestructive optical methods for determining analyte concentration and speciation in complex solutions, such as dissociated species in polyprotic acids, e.g., H 2 SO 4 . The effect of temperature is often overlooked although it can have a major influence on speciation and the corresponding Raman spectra. Here, in this study, partial least squares regression models were optimized for the quantification of H 2 SO 4 and its two deprotonated forms as a function of temperature. Measuring bisulfate as a function of temperature is particularly challenging owing to changes in the second dissociation constant. A designed training set effectively minimized the sample set size and trained a robust predictive model with percent root mean square error of <3% for H 2 SO 4 . The practical strategy employed here was demonstrated to be effective for building chemometric models that directly account for dynamic temperatures with static samples and is shown to be amenable to flow cell analysis applications with a simple calibration transfer for process monitoring applications.

D-optimal design↗

Primary and Low-Strain Creep Models for 9Cr Tempered Martensitic Steels Including the Effects of Irradiation Softening and High-Helium Re-Hardening

Primary and low-strain creep represents a very important integrity challenge to large, complex structures, like fusion reactors. Here, we develop a predictive empirical primary creep model for 9Cr tempered martensitic steels (TMS), relating the applied stress (σ) to strain (ε), time (t) and temperature (T). The most accurate model is based on the applied σ normalized by the steel’s T-dependent ultimate tensile stress (σo), σ/σo(T). The model, fit to 17 heats of 9Cr TMS, yielded a σ root mean square error (RMSE) of ≈±11 MPa. Notably, the model also provides robust predictions for all the other TMS, when calibrated only by the fusion candidate Eurofer97 database. The model was extended to explore two possible effects of neutron irradiation, which produces both displacements per atom (dpa) and helium (He in atomic parts per million, appm) damage. These effects, which have not been previously considered, include: (a) softening, as a function of dpa, at T > ≈400–450 °C, in low-He fission environments (<1 He/dpa); and (b) subsequent re-hardening in high-He (≥10 He/dpa) fusion first-wall environments. The irradiation effect models predict (a) accelerated primary creep due to irradiation softening; and (b) fully arrested creep due to high-He re-hardening.

Alam, Md Ershadul (ORCID:0000000345968026)↗

Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water

Simulations of carbon dioxide (CO 2 ) in water may aid in understanding the impact of its accumulation in aquatic environments and help advance technologies for carbon capture and utilization (via, e.g., mineralization). Quantum mechanical (QM) simulations based on static molecular models with polarizable continuum solvation poorly reproduce the energetics of CO 2 hydration to form carbonic acid in water, independent of the level of QM theory employed. Only with density-functional-theory-based molecular dynamics and rare-event sampling, followed by energy corrections based on embedded correlated wavefunction theory (in conjunction with density functional embedding theory), can a close agreement between theory and experiment be achieved. Such multilevel simulations can serve as benchmarks for simpler, less costly models, giving insight into potential errors of the latter. The strong influence of sampling/averaging over dynamical solvent configurations on the energetics stems from the difference in polarity of both the transition state and product (both polar) versus the reactant (nonpolar). When a solute undergoes a change in polarity during reaction, affecting its interaction with the solvent, careful assessment of the energetic contribution of the solvent response to this change is critical. Here, we show that static models (without structural sampling) that incorporate three explicit water molecules can yield far superior results than models with more explicit water molecules because fewer water molecules yield less configurational artifacts. Static models intelligently incorporating both explicit (molecules directly participating in the reaction) and implicit solvation, along with a proper QM theory, e.g., CCSD(T) for closed-shell systems, can close the accuracy gap between static and dynamic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Open-Source Python Package for CFD Solution Verification

Informed decision-making using computational fluid dynamics (CFD) results requires quantifying the errors and uncertainties of a simulation. Verification, validation, and uncertainty quantification (VVUQ) methods were developed to address this need and have matured. However, these VVUQ analyses are often non-trivial and require CFD analysts and practitioners to have specific skill sets. This has led to the uneven adoption of VVUQ analyses, in part, based on the availability of software tools to aid CFD analysts and practitioners. Solution verification, a procedure to evaluate the accuracy of a simulation by estimating potential errors arising from the computational model and computing the uncertainties without comparing to results from a physical system, is one of the lagging VVUQ analyses as the absence of software has forced CFD analysts and practitioners to develop their own codes or piece together incomplete software from across the internet. This work presents an opensource Python package, CFDverify, to lower the barrier of entry and fill in the technological gap in solution verification. CFDverify also provides a streamlined framework to remove some potential errors in post-processing CFD results. The hope is that CFDverify can improve the quality and quantity of CFD solution verification in scientific and research studies and attract interest in developing a communal tool. This paper describes the design, features, and an example use of CFDverify.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗

Development and Validation of a Simulation Testbed for the Intelligent Building Agents Laboratory (IBAL) Using TRNSYS

This paper documents the development and validation of a dynamic primary cooling and thermal storage system simulation testbed. The system simulation testbed, sIBAL, is based on the Intelligent Building Agents Laboratory (IBAL) at the National Institute of Standards and Technology (NIST), which is a research infrastructure and testbed for the development, evaluation, and demonstration of intelligent control algorithms. The sIBAL testbed developed in this project will serve as a virtual twin of the real facility for future control algorithm development. The details of the methodologies used to develop and validate the simulation testbed, which replicates the dynamic behaviors of the primary cooling and ice storage system in the IBAL facility, are presented. The simulation testbed was developed in TRNSYS using built-in component models and MATLAB functions to replicate the two water-cooled chillers, a thermal storage tank, pumps, valves and other components for four different operation modes. Experiments on IBAL components were designed and executed to generate experimental data for model development and verification of the simulation platform. The validation of the simulation results was carried out in two phases: 1) independent component simulations for the chillers and thermal storage tank, and 2) a combined testbed simulation of the entire hydronic system. Comparison of simulation results to the experimental data obtained from the IBAL facility showed errors within 1 °C for the temperatures outputs of both the chiller and the thermal storage model. The error is within an acceptable range for further intelligent control algorithms development. The findings from the study are summarized and presented along with areas where additional research is needed. In addition, data filtering procedures and model refinement measures utilized to improve the accuracy and accelerate the computation time of the simulation are presented.

cooling systems↗

A quantitative risk assessment framework for fault reactivation in underground hydrogen storage: Coupled simulation and deep learning approach

Underground hydrogen storage (UHS) is emerging as a critical solution for large-scale energy storage. However, like all subsurface fluid injection activities, UHS poses the risk of injection-induced fault reactivation. Accurate risk assessment is essential to ensuring the safety and efficiency of UHS operations. This study presents the development of deep-learning surrogate models for fault reactivation prediction in UHS, trained on a comprehensive database of fully coupled fluid flow-geomechanics simulations. Our findings reveal that analytical models often yield unreliable estimates, with errors up to 54% in the allowable injection pressure, potentially leading to a 40% reduction in UHS operational capacity. The developed surrogate models were incorporated into a quantitative risk assessment (QRA) framework, enabling probabilistic evaluation of fault reactivation risk while accounting for uncertainties in the input variables. Site-specific features, such as horizontal stress gradients, fault’s dip and strike angles, and operational parameters like bottom-hole injection pressure and well-fault distance, were identified as the primary drivers of fault reactivation across various stress regimes. Whereas other hydraulic, geological, and poroelastic reservoir properties were found to have a secondary impact. Notably, we observed that the risk of fault reactivation for a critically oriented fault with a static friction coefficient greater than 0.55 remains below 10% in a normal faulting stress regime. However, the risk significantly increases as the stress regime transitions from normal to strike-slip and ultimately to reverse faulting conditions. These findings underscore the importance of rigorous site characterization and comprehensive QRA evaluations to optimize UHS performance and minimize geomechanical risks.

25 ENERGY STORAGE↗

Deep Learning Advances Arctic River Water Temperature Predictions

The accelerated warming in the Arctic poses serious risks to freshwater ecosystems by altering streamflow and river thermal regimes. However, limited research on Arctic River water temperatures exists due to data scarcity and the absence of robust methodologies, which often focus on large, major river basins. To address this, we leveraged the newly released, extensive AKTEMP data set and advanced machine learning techniques to develop a Long Short-Term Memory (LSTM) model. By incorporating ERA5-Land reanalysis data and integrating physical understanding into data-driven processes, our model advanced river water temperature predictions in ungauged, snow- and permafrost-affected basins in Alaska. Our model outperformed existing approaches in high-latitude regions, achieving a median Nash-Sutcliffe Efficiency of 0.95 and root mean squared error of 1.0°C. The LSTM model learned air temperature, soil temperature, solar radiation, and thermal radiation—factors associated with energy balance—were the most important drivers of river temperature dynamics. Soil moisture and snow water equivalent were highlighted as critical factors representing key processes such as thawing, melting, and groundwater contributions. Glaciers and permafrost were also identified as important covariates, particularly in seasonal river water temperature predictions. Our LSTM model successfully captured the complex relationships between hydrometeorological factors and river water temperatures across varying timescales and hydrological conditions. This scalable and transferable approach can be potentially applied across the Arctic, offering valuable insights for future conservation and management efforts.

54 ENVIRONMENTAL SCIENCES↗

Predictive links between microbial communities and biological oxygen utilization in the Arctic Ocean

Microbial metabolism influences rates of net community production (NCP), exerting a direct biological control on marine oxygen and carbon fluxes. In the Arctic, it is increasingly important to understand and quantify this process, as ecological and oceanographic conditions shift due to changing climate. Here, we describe potential ecological links between pelagic microbial diversity and an NCP precursor, biological oxygen utilization, using machine learning and paired observations of community structure and metabolic activity from a seasonally and spatially variable transect of the Arctic Ocean (2019–2020 MOSAiC Expedition). Community structure was determined using 16S (prokaryotic) and 18S (eukaryotic) rRNA gene amplicon sequencing, and metabolic activity was derived from ΔO 2 /Ar. Using self-organizing maps, we identified clear successional patterns in observed microbial community structure that were seasonally driven in the upper ocean and vertically stratified with depth. Metabolic activity was also stratified, with a primarily net heterotrophic water column (median −1.5% biological oxygen saturation), excepting periodic oxygen supersaturation (maximum: 13.6%) within the mixed layer. Using DNA sequences as predictor variables, we then constructed a random forest regression model that reliably reconstructed biological oxygen concentrations (root mean squared error = 4.14 μmol kg −1 ). Top predictors from this model were from heterotrophic (bacteria) or potentially mixotrophic (dinoflagellate) taxa. These analyses highlight biologically driven diagnostic tools that can be used to expand biogeochemical datasets and improve the microbial perspectives and metabolisms represented in ecological models of net productivity and carbon flux in a changing Arctic Ocean.

Chamberlain, Emelia J. [Univ. of San Diego, San Di↗

Artificial ground reflector size and position effects on energy yield and economics of single‐axis‐tracked bifacial photovoltaics

Abstract Artificial ground reflectors improve bifacial energy yield by increasing both front and rear‐incident irradiance. Studies have demonstrated an increase in energy yield due to the addition of artificial reflectors; however, they have not addressed the effect of varying reflector dimensions and placement on system performance and the impact of these parameters on the reflectors' financial viability. We studied the effect of high albedo (70% reflective) artificial reflectors on single‐axis‐tracked bifacial photovoltaic systems through ray‐trace modeling and field measurements. In the field, we tested a range of reflector configurations by varying reflector size and placement and demonstrated that reflectors increased daily energy yield up to 6.2% relative to natural albedo for PERC modules. To confirm the accuracy of our model, we compared modeled and measured power and found a root mean square error (RMSE) of 5.4% on an hourly basis. We modeled a typical meteorological year in Golden, Colorado, to demonstrate the effects of artificial reflectors under a wide range of operating conditions. Seventy percent reflective material can increase total incident irradiance by 1.9%–8.6% and total energy yield by 0.9%–4.5% annually after clipping is considered with a DC–AC ratio of 1.2. Clipping has a significant effect on reflector impact and must be included when assessing reflector viability because it reduces reflector energy gain. We calculated a maximum viable cost for these improvements of up to $2.50–4.60/m 2 , including both material and installation, in Golden. We expanded our analysis to cover a latitude range of 32–48°N and demonstrated that higher‐latitude installations with lower energy yield and higher diffuse irradiance content can support higher reflector costs. In both modeling and field tests, and for all locations, the ideal placement of the reflectors was found to be directly underneath the module due to the optimized rear irradiance increase.

14 SOLAR ENERGY↗

Probabilistic Power Consumption Modeling for Commercial Buildings Using Logistic Regression Markov Chain

The total energy consumed by buildings takes up to 40% of U.S. energy use, in which a large portion is contributed by commercial buildings. Building performance optimization is desirable but requires accurate building models with uncertainties taken into account. This paper proposes a novel probabilistic modeling method using Logistic Regression Markov Chain (LRMC). The LRMC model enhances the performance of traditional Markov Chain (MC) models by adopting time-variant transition matrices calibrated using logistic regression with exogenous inputs. Compared with existing building models, the proposed model produces accurate multi-step modeling results with full probability distribution. The proposed probabilistic building model is tested using actual commercial building measurements and modeling performance is evaluated with two probabilisitc metrics. The results show that the LRMC model has higher accuracy than traditional MC model and Logistic Regression (LR) model in that it yields lower error scores under both evaluation metrics.

Building modeling↗

The Aemulus Project. V. Cosmological Constraint from Small-scale Clustering of BOSS Galaxies

We analyze clustering measurements of BOSS galaxies using a simulation-based emulator of two-point statistics. We focus on the monopole and quadrupole of the redshift-space correlation function, and the projected correlation function, at scales of 0.1 ~ 60 h -1 Mpc. Although our simulations are based on wCDM with general relativity (GR), we include a scaling parameter of the halo velocity field, γ f , defined as the amplitude of the halo velocity field relative to the GR prediction. We divide the BOSS data into three redshift bins. After marginalizing over other cosmological parameters, galaxy bias parameters, and the velocity scaling parameter, we find fσ 8 (z = 0.25) = 0.413 ± 0.031, fσ 8 (z = 0.4) = 0.470 ± 0.026, and fσ 8 (z = 0.55) = 0.396 ± 0.022. Compared with Planck observations using a flat Lambda cold dark matter model, our results are lower by 1.9σ, 0.3σ, and 3.4σ, respectively. These results are consistent with other recent simulation-based results at nonlinear scales, including weak lensing measurements of BOSS LOWZ galaxies, two-point clustering of eBOSS LRGs, and an independent clustering analysis of BOSS LOWZ. All these results are generally consistent with a combination of ${\gamma }_{f}^{1/2}{\sigma }_{8}\approx 0.75$. We note, however, that the BOSS data is well fit assuming GR, i.e., γf = 1. We cannot rule out an unknown systematic error in the galaxy bias model at nonlinear scales, but near-future data and modeling will enhance our understanding of the galaxy–halo connection, and provide a strong test of new physics beyond the standard model.

79 ASTRONOMY AND ASTROPHYSICS↗

Discrete modeling of a transformer with ALEGRA

We report progress on a task to model transformers in ALEGRA using the “Transient Magnetics” option. We specifically evaluate limits of the approach resolving individual coil wires. There are practical limits to the number of turns in a coil that can be numerically modeled, but calculated inductance can be scaled to the correct number of turns in a simple way. Our testing essentially confirmed this “turns scaling” hypothesis. We developed a conceptual transformer design, representative of practical designs of interest, and that focused our analysis. That design includes three coils wrapped around a rectangular ferromagnetic core. The secondary and tertiary coils have multiple layers. The tertiary has three layers of 13 turns each; the secondary has five layers of 44 turns; the primary has one layer of 20 turns. We validated the turns scaling of inductance for simple (one-layer) coils in air (no core) by comparison to available independent calculations for simple rectangular coils. These comparisons quantified the errors versus reduced number of turns modeled. For more than 3 turns, the errors are <5%. The magnetic field solver failed to converge (within 5000 iterations) for >10 turns. Including the core introduced some complications. It was necessary to capture the core surfaces in thin grid sheaths to minimize errors in computed magnetic energy. We do not yet have quantitative benchmarks with which to compare, but calculated results are qualitatively reasonable.

42 ENGINEERING↗

Using neural network ensembles to separate ocean biogeochemical and physical drivers of phytoplankton biogeography in Earth system models

Abstract. Earth system models (ESMs) are useful tools for predicting and understanding past and future aspects of the climate system. However, the biological and physical parameters used in ESMs can have wide variations in their estimates. Even small changes in these parameters can yield unexpected results without a clear explanation of how a particular outcome was reached. The standard method for estimating ESM sensitivity is to compare spatiotemporal distributions of variables from different runs of a single ESM. However, a potential pitfall of this method is that ESM output could match observational patterns because of compensating errors. For example, if a model predicts overly weak upwelling and low nutrient concentrations, it might compensate for this by allowing phytoplankton to have a high sensitivity to nutrients. Recently, we demonstrated that neural network ensembles (NNEs) are capable of extracting relationships between predictor and target variables within ocean biogeochemical models. Being able to view the relationships between variables, along with spatiotemporal distributions, allows for a more mechanistically based examination of ESM outputs. Here, we investigated whether we could apply NNEs to help us determine why different ESMs produce different spatiotemporal distributions of phytoplankton biomass. We tested this using three cases. The first and second case used different runs of the same ESM, except that the physical circulations differed between them in the first case, while the biological equations differed between them in the second. Our results indicated that the NNEs were capable of extracting the relationships between variables for different runs of a single ESM, allowing us to distinguish between differences due to changes in circulation (which do not change relationships) from changes in biogeochemical formulation (which do change relationships). In the third case, we applied NNEs to two different ESMs. The results of the third case highlighted the capability of NNEs to contrast the apparent relationships of different ESMs and some of the challenges it presents. Although applied specifically to the ocean components of an ESM, our study demonstrates that Earth system modelers can use NNEs to separate the contributions of different components of ESMs. Specifically, this allows modelers to compare the apparent relationships across different ESMs and observational datasets.

54 ENVIRONMENTAL SCIENCES↗

Advancing stream temperature prediction with a generalizable large-sample framework across CONUS river reaches

Accurately predicting stream temperature in ungauged basins remains a critical challenge for water resource management, thermoelectric power plant cooling, and ecosystem conservation. Large-sample machine learning models trained on hundreds of well-monitored river basins have shown remarkable performance; however, such models have yet to be developed solely using forcing data that can be readily extracted to simulate stream temperatures anywhere in the contiguous United States (CONUS). In this study, we present a scalable, large-sample deep learning framework using Long Short-Term Memory (LSTM) networks to simulate daily stream temperatures in ungauged basins across the CONUS. The framework leverages both modeled reanalysis of meteorological and streamflow inputs as well as static attributes available for all 2.7 million CONUS river reaches in the National Hydrography Dataset Plus (NHDPlusV2). By generating dynamical inputs from predefined thermally relevant upstream contributing areas, rather than the entire upstream basin, the model also offers improvements in very large basins where full-basin averaging can dilute the most important influences on stream temperature. Evaluated across 300 basins, the model achieves a median Mean Absolute Error (MAE) of 1.1 °C and a Nash-Sutcliffe Efficiency (NSE) of 0.95 on temporally and spatially distinct test folds—comparable to models trained exclusively using meteorological and streamflow observational data. The flexible, high-performing framework generalizes to any unmonitored river reach without significant regulation or unnatural thermal input immediately upstream, substantially expanding predictive capabilities in data-scarce regions.

Hydrology↗

Fast Correction of Errors in the DFT‐Calculated Energies of Gaseous Nitrogen‐Containing Species

Abstract Modeling adsorption phenomena on surfaces by DFT calculations often involves substantial errors, resulting in inaccurate predictions of catalytic activities. Such errors partly stem from the inaccurate description of the energetics of free molecules. Herein, we use a semiempirical group‐additivity method to correct the DFT‐calculated heats of formation of 106 carbon‐ and nitrogen‐containing gaseous compounds belonging to 15 different chemical families. PBE, PW91, RPBE and BEEF‐vdW initially yield mean absolute errors (MAEs) with respect to experiments in the range of 0.32–0.75 eV. After correcting the systematic errors, the overall MAEs decrease to ∼0.05 eV. Additionally, upon applying the corrections to three types of reaction enthalpies, the resulting MAEs are below 0.10 eV. These functional‐group corrections can be used in (electro)catalysis to correct the gas‐phase references necessary to evaluate equilibrium potentials and adsorption energies, predict error cancellation, and assess conflicting experimental data.

Urrego‐Ortiz, Ricardo↗

Planck 2018 results. VI. Cosmological parameters

In this paper, we present cosmological parameter results from the final full-mission Planck measurements of the cosmic microwave background (CMB) anisotropies, combining information from the temperature and polarization maps and the lensing reconstruction. Compared to the 2015 results, improved measurements of large-scale polarization allow the reionization optical depth to be measured with higher precision, leading to significant gains in the precision of other correlated parameters. Improved modelling of the small-scale polarization leads to more robust constraints on many parameters, with residual modelling uncertainties estimated to affect them only at the 0.5 σ level. We find good consistency with the standard spatially-flat 6-parameter ΛCDM cosmology having a power-law spectrum of adiabatic scalar perturbations (denoted “base ΛCDM” in this paper), from polarization, temperature, and lensing, separately and in combination. A combined analysis gives dark matter density Ω c h 2 = 0.120 ± 0.001, baryon density Ω b h 2 = 0.0224 ± 0.0001, scalar spectral index n s = 0.965 ± 0.004, and optical depth τ = 0.054 ± 0.007 (in this abstract we quote 68% confidence regions on measured parameters and 95% on upper limits). The angular acoustic scale is measured to 0.03% precision, with 100 θ * = 1.0411 ± 0.0003. These results are only weakly dependent on the cosmological model and remain stable, with somewhat increased errors, in many commonly considered extensions. Assuming the base-ΛCDM cosmology, the inferred (model-dependent) late-Universe parameters are: Hubble constant H 0 = (67.4 ± 0.5) km s –1 Mpc –1 ; matter density parameter Ω m = 0.315 ± 0.007; and matter fluctuation amplitude σ 8 = 0.811 ± 0.006. We find no compelling evidence for extensions to the base-ΛCDM model. Combining with baryon acoustic oscillation (BAO) measurements (and considering single-parameter extensions) we constrain the effective extra relativistic degrees of freedom to be N eff = 2.99 ± 0.17, in agreement with the Standard Model prediction N eff = 3.046, and find that the neutrino mass is tightly constrained to Σ m ν < 0.12 eV. The CMB spectra continue to prefer higher lensing amplitudes than predicted in base ΛCDM at over 2 σ , which pulls some parameters that affect the lensing amplitude away from the ΛCDM model; however, this is not supported by the lensing reconstruction or (in models that also change the background geometry) BAO data. The joint constraint with BAO measurements on spatial curvature is consistent with a flat universe, Ω K = 0.001 ± 0.002. Also combining with Type Ia supernovae (SNe), the dark-energy equation of state parameter is measured to be w 0 = –1.03 ± 0.03, consistent with a cosmological constant. We find no evidence for deviations from a purely power-law primordial spectrum, and combining with data from BAO, BICEP2, and Keck Array data, we place a limit on the tensor-to-scalar ratio r 0.002 < 0.06. Standard big-bang nucleosynthesis predictions for the helium and deuterium abundances for the base-ΛCDM cosmology are in excellent agreement with observations. The Planck base-ΛCDM results are in good agreement with BAO, SNe, and some galaxy lensing observations, but in slight tension with the Dark Energy Survey’s combined-probe results including galaxy clustering (which prefers lower fluctuation amplitudes or matter density parameters), and in significant, 3.6 σ , tension with local measurements of the Hubble constant (which prefer a higher value). Simple model extensions that can partially resolve these tensions are not favoured by the Planck data.

79 ASTRONOMY AND ASTROPHYSICS↗

Assessing Heterogeneity of Surface Water Temperature Following Stream Restoration and a High-Intensity Fire from Thermal Imagery

Thermal heterogeneity of rivers is essential to support freshwater biodiversity. Salmon behaviorally thermoregulate by moving from patches of warm water to cold water. When implementing river restoration projects, it is essential to monitor changes in temperature and thermal heterogeneity through time to assess the impacts to a river’s thermal regime. Lightweight sensors that record both thermal infrared (TIR) and multispectral data carried via unoccupied aircraft systems (UASs) present an opportunity to monitor temperature variations at high spatial (<0.5 m) and temporal resolution, facilitating the detection of the small patches of varying temperatures salmon require. Here, we present methods to classify and filter visible wetted area, including a novel procedure to measure canopy cover, and extract and correct radiant surface water temperature to evaluate changes in the variability of stream temperature pre- and post-restoration followed by a high-intensity fire in a section of the river corridor of the South Fork McKenzie River, Oregon. We used a simple linear model to correct the TIR data by imaging a water bath where the temperature increased from 9.5 to 33.4 °C. The resulting model reduced the mean absolute error from 1.62 to 0.35 °C. We applied this correction to TIR-measured temperatures of wetted cells classified using NDWI imagery acquired in the field. We found warmer conditions (+2.6 °C) after restoration (p < 0.001) and median absolute deviation for pre-restoration (0.30) to be less than both that of post-restoration (0.85) and post-fire (0.79) orthomosaics. In addition, there was statistically significant evidence to support the hypothesis of shifts in temperature distributions pre- and post-restoration (KS test 2009 vs. 2019, p < 0.001, D = 0.99; KS test 2019 vs. 2021, p < 0.001, D = 0.10). Moreover, we used a Generalized Additive Model (GAM) that included spatial and environmental predictors (i.e., canopy cover calculated from multispectral NDVI and photogrammetrically derived digital elevation model) to model TIR temperature from a transect along the main river channel. This model explained 89% of the deviance, and the predictor variables showed statistical significance. Collectively, our study underscored the potential of a multispectral/TIR sensor to assess thermal heterogeneity in large and complex river systems.

Barker, Matthew I. (ORCID:0000000252864930)↗

Stream Temperature Predictions for River Basin Management in the Pacific Northwest and Mid-Atlantic Regions Using Machine Learning

Stream temperature (Ts) is an important water quality parameter that affects ecosystem health and human water use for beneficial purposes. Accurate Ts predictions at different spatial and temporal scales can inform water management decisions that account for the effects of changing climate and extreme events. In particular, widespread predictions of Ts in unmonitored stream reaches can enable decision makers to be responsive to changes caused by unforeseen disturbances. In this study, we demonstrate the use of classical machine learning (ML) models, support vector regression and gradient boosted trees (XGBoost), for monthly Ts predictions in 78 pristine and human-impacted catchments of the Mid-Atlantic and Pacific Northwest hydrologic regions spanning different geologies, climate, and land use. The ML models were trained using long-term monitoring data from 1980–2020 for three scenarios: (1) temporal predictions at a single site, (2) temporal predictions for multiple sites within a region, and (3) spatiotemporal predictions in unmonitored basins (PUB). In the first two scenarios, the ML models predicted Ts with median root mean squared errors (RMSE) of 0.69–0.84 °C and 0.92–1.02 °C across different model types for the temporal predictions at single and multiple sites respectively. For the PUB scenario, we used a bootstrap aggregation approach using models trained with different subsets of data, for which an ensemble XGBoost implementation outperformed all other modeling configurations (median RMSE 0.62 °C).The ML models improved median monthly Ts estimates compared to baseline statistical multi-linear regression models by 15–48% depending on the site and scenario. Air temperature was found to be the primary driver of monthly Ts for all sites, with secondary influence of month of the year (seasonality) and solar radiation, while discharge was a significant predictor at only 10 sites. The predictive performance of the ML models was robust to configuration changes in model setup and inputs, but was influenced by the distance to the nearest dam with RMSE <1 °C at sites situated greater than 16 and 44 km from a dam for the temporal single site and regional scenarios, and over 1.4 km from a dam for the PUB scenario. Our results show that classical ML models with solely meteorological inputs can be used for spatial and temporal predictions of monthly Ts in pristine and managed basins with reasonable (<1 °C) accuracy for most locations.

54 ENVIRONMENTAL SCIENCES↗