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At least 289 records · Page 16

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗

Predicting lake surface water phosphorus dynamics using process-guided machine learning

Phosphorus (P) loading to lakes is degrading the quality and usability of water globally. Accurate predictions of lake P dynamics are needed to understand whole-ecosystem P budgets, as well as the consequences of changing lake P concentrations for water quality. However, complex biophysical processes within lakes, along with limited observational data, challenge our capacity to reproduce short-term lake dynamics needed for water quality predictions, as well as long-term dynamics needed to understand broad scale controls over lake P. Here we use an emerging paradigm in modeling, process-guided machine learning (PGML), to produce a phosphorus budget for Lake Mendota (Wisconsin, USA) and to accurately predict epilimnetic phosphorus over a time range of days to decades. In our implementation of PGML, which we term a Process-Guided Recurrent Neural Network (PGRNN), we combine a process-based model for lake P with a recurrent neural network, and then constrain the predictions with ecological principles. We test independently the process-based model, the recurrent neural network, and the PGRNN to evaluate the overall approach. The process-based model accounted for most of the observed pattern in lake P; however it missed the long-term trend in lake P and had the worst performance in predicting winter and summer P in surface waters. The root mean square error (RMSE) for the process-based model, the recurrent neural network, and the PGRNN was 33.0 μg P L -1 , 22.7 μg P L -1 , and 20.7 μg P L -1 , respectively. All models performed better during summer, with RMSE values for the three models (same order) equal to 14.3 μg P L -1 , 10.9 μg P L -1 , and 10.7 μg P L -1 . Although the PGRNN had only marginally better RMSE during summer, it had lower bias and reproduced long-term decreases in lake P missed by the other two models. For all seasons and all years, the recurrent neural network had better predictions than process alone, with root mean square error (RMSE) of 23.8 μg P L -1 and 28.0 μg P L -1 , respectively. The output of PGRNN indicated that new processes related to water temperature, thermal stratification, and long term changes in external loads are needed to improve the process model. By using ecological knowledge, as well as the information content of complex data, PGML shows promise as a technique for accurate prediction in messy, real-world ecological dynamics, while providing valuable information that can improve our understanding of process.

54 ENVIRONMENTAL SCIENCES↗

Linking habitat suitability with a longleaf pine-hardwood model: Building a species-predictive fire-land management framework

Active management of fire-dependent ecosystems for specific species leads to complex tradeoffs, which affect conservation outcomes to other species. Therefore a multi-species evaluation of management actions is required. Habitat Suitability Models (HSMs) can help in predicting the likelihood of species occurrence using corresponding environmental variables and empirical relationships that link occurrence with specific environmental conditions. Incorporating multiple species into HSMs and relating them to habitat dynamics is crucial for ecosystems that require active management with prescribed fire. To address this issue, we developed multi-species HSM driven within an existing population model of the longleaf pine-hardwood ecosystem to assess the suitability of an ecosystem given different fire management strategies and environmental conditions. The population model used in this study provides spatial and temporal changes of longleaf pine-hardwood habitat structure in response to fire. These habitat values are used by the HSM to calculate habitat suitability for three threatened and endangered faunal species of this ecosystem, which all thrive with frequent fire, but have unique habitat requirements. Transient habitat conditions are traced to predict longleaf pine ecosystem trajectories under various management strategies, thereby evaluating current land management actions, such as thinning or prescribed fire frequencies. We tested a suite of environmental conditions to emphasize the sensitivity of the species to different fire management actions. The results of our modeling suggest that maximum suitable habitat for all three species can be achieved with fire frequency occurring at approximately once every three years. The modeling results support current management actions and provide a new habitat assessment tool that incorporates ecological factors for multiple species, thus providing for habitat optimization.

54 ENVIRONMENTAL SCIENCES↗

DUET - Distribution of Understory using Elliptical Transport: A mechanistic model of leaf litter and herbaceous spatial distribution based on tree canopy structure

Heterogeneity in surface fuels produced by overstory trees and understory vegetation is a major driver of fire behavior and ecosystem dynamics. Previous attempts at predicting tree leaf and needle litter accumulation over time have been constrained in scope to probabilistic models that consider a limited number of key factors influencing tree litter dispersal patterns and decomposition processes. Here we present a mechanistic model for estimating variation in surface fuels called the Distribution of Understory using Elliptical Transport (DUET). DUET uses a pre-generated voxelated canopy array and distributes the leaf litter from the trees in an elliptical shape based on tree species characteristics, wind data, and location-specific features. DUET then calculates grass growth between trees and around the litter patterns and sets moisture levels based on relative humidity. In this study, we use DUET to simulate spatial distributions of leaf litter and illustrate model sensitivity to several parameters, providing inputs for testing fuel spatial heterogeneity impacts on fire behavior using process-based models.

54 ENVIRONMENTAL SCIENCES↗

Machine learning to discover mineral trapping signatures due to CO 2 injection

Mineral trapping is pursued as a geological CO 2 sequestration (GCS) mechanism because it permanently stores CO 2 in solid phases or minerals. However, CO 2 mineral-trapping mechanisms are poorly understood due to (1) lack of sufficient field and laboratory data characterizing these complex processes, and (2) challenges to develop site-specific reactive-transport models coupling fluid flow and geochemical reactions occurring at various temporal (from milliseconds to years) and spatial (from pore (millimeters) to field (kilometers)) scales. Reactive transport with additional complexities such as heterogeneity can make the simulation outputs even more difficult to interpret because of complex nonlinearity and multi-scale interdependencies. Furthermore, the values of model outputs such as concentrations can vary by several orders of magnitude, making it harder to correlate and characterize the impact of the variables via traditional data interpretation techniques such as exploratory data analyses. Recently, machine learning (ML) has shown promise in feature discovery and in highlighting hidden mechanisms that cannot be obtained by existing data-analytics and statistical methods. In this study, we applied an unsupervised ML approach, non-negative matrix factorization with custom -means clustering (NMF) to the data generated by reactive-transport simulations of GCS. The reactive-transport data consisted of 19 attributes, including four physio-chemical variables (pH, porosity, aqueous CO 2 , and sequestered CO 2 ), six chemical species (K + , Na + , HCO, Ca 2+ , Mg 2+ , Fe 2+ ), and four carbonate minerals (calcite, dolomite, siderite, and ankerite), a feldspar mineral (albite), and four clay minerals (illite, clinochlore, kaolinite, and smectite) over a period of 200 years of simulation time. Furthermore, the simulation data used was for Morrow B sandstone at the Farnsworth hydrocarbon unit in Texas. Data are sampled at two locations within the model domain: (1) at the injection well and (2) 200 m west of the injection well. The injection was performed for a period of 10 years. Using NMF, we estimated the temporal interdependencies among the 19 attributes over a span of 200 years. We found that NMF was able to identify four reaction stages and their dominant attributes; these cannot be directly discerned through traditional visualization (e.g., line plots, Pareto analysis, Glyph-based visualization methods) or exploratory data analysis tools of the simulation data. The four stages were: reactions in the injection phase followed by short-, mid-, and long-term reactions. The NMF analysis also revealed that 10 among the 19 attributes are dominant. These dominant attributes for mineral trapping include calcite, dolomite at injection well, siderite at 200 m away from the injection well, clinochlore, kaolinite, Na + , K + , Ca 2+ , Mg 2+ , pH, and aqeuous CO 2 . Finally, at late times (65–200 years), our results showed that calcite plays a major role in mineral trapping with insignificant contribution from siderite, ankerite, and clay minerals. These findings make the proposed unsupervised ML-model attractive for reactive-transport sensing towards real-time GCS monitoring.

54 ENVIRONMENTAL SCIENCES↗

Assessing the cost-effectiveness of carbon neutrality for light-duty vehicle sector in China

China’s progress in decarbonizing its transportation, particularly vehicle electrification, is notable. However, the economically effective pathways are underexplored. To find out how much cost is necessary for carbon neutrality for the light-duty vehicle (LDV) sector, this study examines twenty decarbonization pathways, combining the New Energy and Oil Consumption Credit model and the China-Fleet model. We find that the 2060 zero-greenhouse gas (GHG) emission goal for LDVs is achievable via electrification if the battery pack cost is under CNY483/kWh by 2050. However, an extra of CNY8.86 trillion internal subsidies is needed under pessimistic battery cost scenarios (CNY759/kWh in 2050) to eliminate 246 million tonnes of CO 2 -eq by 2050 ensuring over 80% market penetration of battery electric vehicles (BEVs) in 2050. Moreover, the promotion of fuel cell electric vehicles is synergy with BEVs to mitigate the carbon abatement difficulties, decreasing up to 34% of the maximum marginal abatement internal investment.

54 ENVIRONMENTAL SCIENCES↗

Identifying recharge sources and their impacts on a North Central New Mexico shallow aquifer using unsupervised machine learning

In this article, shallow aquifers are important but highly variable resources in arid to semi-arid regions. Limited shallow aquifer volume results in high sensitivity to recharge fluctuations, which can impact the local fauna and flora, and transport of contaminants in the aquifer or vadose zone. Aquifer response to external forcing (e.g., precipitation) is usually solved by estimating aquifer parameters and running physics-based models to match known fluctuations of hydraulic head. However, this technique is time and computationally expensive. Furthermore, high aquifer complexity decreases precision in physics-based models. Alternatively supervised machine learning is used to predict aquifer dynamics. However, these techniques rely on input data and struggle to interpret aquifer response for missing sources (i.e., snowpack data). To counter these problems, we propose an unsupervised machine learning technique (NMFk) to estimate the impact of different sources on aquifer recharge. NMFk is used to understand the influence of external forcing on shallow aquifer recharge in the Pajarito Plateau (Los Alamos, NM, USA). The results show how NMFk can be used to reduce the data dimension in a complex field dataset to three recharge signals that cause fluctuations within the field data. Here, the source signals are interpreted as rainfall, snowmelt, and a delayed aquifer response to the previous two signals. These results evidence how heterogeneous aquifers delimited by canyons incised into the Pajarito Plateau respond in similar ways to the source signals identified by NMFk. Furthermore, results show the importance of the local geology where faults act as sinks, and anthropogenic disturbances can facilitate infiltration amplifying the interpreted signal.

54 ENVIRONMENTAL SCIENCES↗

10 Be at iThemba LABS using a silicon nitride membrane stack as absorber for isobar suppression

10 Be is an important isotope for accelerator mass spectrometry (AMS) because of the demand for cosmogenic radionuclide dating methods in the earth science and paleo-sciences community. At the iThemba Laboratory for Accelerator Based Science (iThemba LABS) we implemented full suppression of the interfering isobar 10 B using a silicon nitride foil-stack, utilizing the 2+ charge state for high efficiency. We demonstrate the performance of this newly established AMS system using standards and test samples. Here we further present the results of an inter-comparison between iThemba LABS and the Center for Accelerator Mass Spectrometry/Lawrence Livermore National Laboratory, on AMS samples prepared from purified quartz at the University of Vermont. The results for 10 Be from the laboratories are in close agreement, fully consistent with cross-calibration between them. AMS results for 26 Al are in similarly good agreement, demonstrating the performance and accuracy of iThemba LABS for the most commonly measured in situ produced cosmogenic nuclides.

10-Be↗

Comparing numerical accuracy and stability for different horizontal discretizations in MPAS-Ocean

This manuscript investigates the effectiveness of two possible horizontal discretizations for the global ocean model MPAS-Ocean, both applied to Spherical Centroidal Voronoi Tessellations (SCVTs). The first discretization is TRiSK, a C-grid, finite-volume method, that possesses many desirable mimetic properties, but has a low order accuracy. The second discretization was introduced for the first time by Peixoto (2016), and consists of modifications to the TRiSK scheme designed to achieve at least first-order accuracy in the L ∞ norm, with the loss of some of the mimetic properties. Tests on shallow-water and primitive-equation models show that the scheme due to Peixoto is indeed more accurate, but presents stability issues with respect to TRiSK. Here, TRiSK is indeed found to be often more stable in time and more robust with respect to errors in the geometric properties of the grid.

97 MATHEMATICS AND COMPUTING↗

Towards real-time forecasting of natural gas production by harnessing graph theory for stochastic discrete fracture networks

In this work, we compare hydrocarbon production curves obtained from a graph-based reduced-order model with the high-fidelity Discrete Fracture Network (DFN) predictions for a fracture network created using data from a real shale site. We observe that the bounds for the high fidelity DFN model lie within the bounds for the reduced order model, implying that the reduced-order model provides a conservative estimate. Moreover, we found that except for first-passage times and late arriving mass, the production curves from the reduced-order model predict transport accurately. However, it is to be noted that the results are inspite of trading a three-dimensional geometry for a reduced system in the form of a graph, one that is 500–1000 times faster in terms of computational efficiency (for this particular application). In addition, we also compare the production curves for large drawdown and small drawdown using our graph approach. The reduced-order model is successful in showing that the long term productivity is higher in case of small drawdown although the initial productivity is higher for large drawdown. Thus, this reduced-order model offers great potential in uncertainty quantification for production, as well as in providing operators with information to make real-time decisions for optimal production.

03 NATURAL GAS↗

Machine learning and shallow groundwater chemistry to identify geothermal prospects in the Great Basin, USA

This study discovers various geothermal prospects in the Great Basin, USA based on shallow groundwater chemical (geochemical) data. The geochemical data are expected to include hidden (latent) information that is a proxy for geothermal prospectivity. We processed the sparse geochemical data in the Great Basin at 14,341 locations including 18 attributes. Next, a non-negative matrix factorization with customized k-means clustering is applied to the geochemical data matrix that automatically finds three hidden geothermal signatures representing modestly, moderately, and highly confident geothermal prospects. The algorithm also evaluated the probability of occurrence of these types of resources through the studied region. There is a consistency between regional geothermal prospectivity as estimated by our ML methodology and the traditional play fairway analysis conducted over a portion of the study area. We also identify the dominant data attributes associated with each signature. Finally, our ML analyses allow us to reconstruct attributes from sparse into continuous over the study domain. The predicted continuous attributes can be used for future detailed geothermal explorations in the Great Basin.

15 GEOTHERMAL ENERGY↗

NASA's surface biology and geology designated observable: A perspective on surface imaging algorithms

The 2017-2027 National Academies' Decadal Survey, Thriving on Our Changing Planet, recommended Surface Biology and Geology (SBG) as a "Designated Targeted Observable" (DO). The SBG DO is based on the need for capabilities to acquire global, high spatial resolution, visible to shortwave infrared (VSWIR; 380 - 2500 nm; ~30 m pixel resolution) hyperspectral (imaging spectroscopy) and multispectral midwave and thermal infrared (MWIR: 3-5 µm; TIR: 8-12 µm; ~60 m pixel resolution) measurements with sub-monthly temporal revisits over terrestrial, freshwater, and coastal marine habitats. To address the various mission design needs, an SBG Algorithms Working Group of multidisciplinary researchers has been formed to review and evaluate the algorithms applicable to the SBG DO across a wide range of Earth science disciplines, including terrestrial and aquatic ecology, atmospheric science, geology, and hydrology. Here, we summarize current state-of-the-practice VSWIR and TIR algorithms that use airborne or orbital spectral imaging observations to address the SBG DO priorities identified by the Decadal Survey: (i) terrestrial vegetation physiology, functional traits, and health; (ii) inland and coastal aquatic ecosystems physiology, functional traits, and health; (iii) snow and ice accumulation, melting, and albedo; (iv) active surface composition (eruptions, landslides, evolving landscapes, hazard risks); (v) effects of changing land use on surface energy, water, momentum, and carbon fluxes; and (vi) managing agriculture, natural habitats, water use/quality, and urban development. We review existing algorithms in the following categories: snow/ice, aquatic environments, geology, and terrestrial vegetation, and summarize the community-state-of-practice in each category. Finally, this effort synthesizes the findings of more than 130 scientists.

54 ENVIRONMENTAL SCIENCES↗

Investigating controls on sea ice algal production using E3SMv1.1-BGC

We present the analysis of global sympagic primary production (PP) from 300 years of pre-industrial and historical simulations of the E3SMv1.1-BGC model. The model includes a novel, eight-element sea ice biogeochemical component, MPAS-Seaice zbgc, which is resolved in three spatial dimensions and uses a vertical transport scheme based on internal brine dynamics. Modeled ice algal chlorophyll-a concentrations and column-integrated values are broadly consistent with observations, though chl-a profile fractions indicate that upper ice communities of the Southern Ocean are underestimated. Simulations of polar integrated sea ice PP support the lower bound in published estimates for both polar regions with mean Arctic values of 7.5 and 15.5 TgC/a in the Southern Ocean. However, comparisons of the polar climate state with observations, using a maximal bound for ice algal growth rates, suggest that the Arctic lower bound is a significant underestimation driven by biases in ocean surface nitrate, and that correction of these biases supports as much as 60.7 TgC/a of net Arctic PP. Simulated Southern Ocean sympagic PP is predominantly light-limited, and regional patterns, particularly in the coastal high production band, are found to be negatively correlated with snow thickness.

54 ENVIRONMENTAL SCIENCES↗

Data initiatives for ocean-driven melt of Antarctic ice shelves

Ocean-driven melt of Antarctic ice shelves is an important control on mass loss from the ice sheet, but is complex to study due to significant variability in melt rates both spatially and temporally. Here we assess the strengths and weakness of satellite and field-based observations as tools for testing models of ice-shelf melt. We discuss how the complementary use of field, satellite and model data can be a powerful but underutilised tool for studying melt processes. Finally, we identify some community initiatives working to collate and publish coordinated melt rate datasets, which can be used in future for validating satellite-derived maps of melt and evaluating processes in numerical simulations.

54 ENVIRONMENTAL SCIENCES↗

Deriving iceberg ablation rates using an on-iceberg autonomous phase-sensitive radar (ApRES)

Abstract The increase in iceberg discharge into the polar oceans highlights the importance of understanding how quickly icebergs are deteriorating and where the resulting freshwater injection is occurring. Recent advances in quantifying iceberg deterioration through combinations of modeling, remote sensing and direct in situ measurements have successfully calculated overall ablation rates, and surface and sidewall ablation; however, in situ measurements of basal melt rates have been difficult to obtain. Radar has successfully measured iceberg thickness, but repeat measurements, which would capture a change in iceberg thickness with time, have not yet been collected. Here we test the applicability of using an on-iceberg autonomous phase-sensitive radar (ApRES) to quantify basal ablation rates of a large (~800 m long) non-tabular Arctic iceberg during an intensive 2019 summer field campaign in Sermilik Fjord, southeast Greenland. We find that ApRES can be used to measure basal ablation even over a short deployment period (10 d), and also provide a lower bound on sidewall melt. This study fills a critical gap in iceberg research and pushes the limits of field instrumentation.

54 ENVIRONMENTAL SCIENCES↗