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DOE OSTI2022

A Multi-Model Framework for Assessing Long- and Short-Term Climate Influences on the Electric Grid

Climate change influences many aspects of the electric grid, but prior work and industry practices often ignore the potential effects of changing climate, or they only consider a single effect or individual effects in isolation. Challenges vary with each grid and include adapting to long-term trends such as changing temperature and precipitation or shorter-term events such as drought or storms that could increase in frequency or intensity. Here we present a multi-model framework designed to analyze the effects of long and short-term climate impacts in combination. This framework couples capacity expansion and production cost models with hydrologic models and future climate scenario data to analyze alternative climate and energy futures at high spatial, temporal, and process resolutions. Furthermore, we constructed and evaluated the results of a suite of simulated scenarios exploring climate impacts on capacity investment and stress-tested the resulting future infrastructures using hourly dispatch modeling under alternative drought and load conditions. We demonstrate the approach through a case study of the U.S. Western Interconnection, where climate impacts depend on interactions between temperature-induced load, water availability for hydropower, technology competitiveness, and demand flexibility. Changes in 2038 generating capacity range from -8.5-16.6 GW, and changes in 2038 transmission capacity range from -1-2 GW. Capacity increases are driven by higher load from higher temperatures, while capacity reductions can be achieved in scenarios with higher future hydropower availability and increased demand flexibility. Scenarios requiring additional capacity cost an additional $\$5$-$\$17$ billion (discounted) from 2018 to 2038; however, scenarios with capacity reductions cost $\$1$-$\$18$ billion less. Stress tests on four 2038 infrastructures demonstrated that the identified systems were able to serve at least 99.999% of load and 99.96% of reserves. However, drought and unexpected high-load conditions can result in reduced capacity to respond to contingency events we did not model. Although these results are system and scenario specific, they highlight the importance of considering multiple climate change impacts simultaneously in long-term planning efforts and demonstrate a multi-model, multiscale approach that can be flexibly applied to any system and set of climate change concerns.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2003

Estimation of Transpiration and Water Use Efficiency Using Satellite and Field Observations

Structure and function of terrestrial plant communities bring about intimate relations between water, energy, and carbon exchange between land surface and atmosphere. Total evaporation, which is the sum of transpiration, soil evaporation and evaporation of intercepted water, couples water and energy balance equations. The rate of transpiration, which is the major fraction of total evaporation over most of the terrestrial land surface, is linked to the rate of carbon accumulation because functioning of stomata is optimized by both of these processes. Thus, quantifying the spatial and temporal variations of the transpiration efficiency (which is defined as the ratio of the rate of carbon accumulation and transpiration), and water use efficiency (defined as the ratio of the rate of carbon accumulation and total evaporation), and evaluation of modeling results against observations, are of significant importance in developing a better understanding of land surface processes. An approach has been developed for quantifying spatial and temporal variations of transpiration, and water-use efficiency based on biophysical process-based models, satellite and field observations. Calculations have been done using concurrent meteorological data derived from satellite observations and four dimensional data assimilation for four consecutive years (1987-1990) over an agricultural area in the Northern Great Plains of the US, and compared with field observations within and outside the study area. The paper provides substantive new information about interannual variation, particularly the effect of drought, on the efficiency values at a regional scale.

Choudhury, Bhaskar J.↗

NASA NTRS2008

Improving Coastal Ocean Color Validation Capabilities through Application of Inherent Optical Properties (IOPs)

Understanding how the different components of seawater alter the path of incident sunlight through scattering and absorption is essential to using remotely sensed ocean color observations effectively. This is particularly apropos in coastal waters where the different optically significant components (phytoplankton, detrital material, inorganic minerals, etc.) vary widely in concentration, often independently from one another. Inherent Optical Properties (IOPs) form the link between these biogeochemical constituents and the Apparent Optical Properties (AOPs). understanding this interrelationship is at the heart of successfully carrying out inversions of satellite-measured radiance to biogeochemical properties. While sufficient covariation of seawater constituents in case I waters typically allows empirical algorithms connecting AOPs and biogeochemical parameters to behave well, these empirical algorithms normally do not hold for case I1 regimes (Carder et al. 2003). Validation in the context of ocean color remote sensing refers to in-situ measurements used to verify or characterize algorithm products or any assumption used as input to an algorithm. In this project, validation capabilities are considered those measurement capabilities, techniques, methods, models, etc. that allow effective validation. Enhancing current validation capabilities by incorporating state-of-the-art IOP measurements and optical models is the purpose of this work. Involved in this pursuit is improving core IOP measurement capabilities (spectral, angular, spatio-temporal resolutions), improving our understanding of the behavior of analytical AOP-IOP approximations in complex coastal waters, and improving the spatial and temporal resolution of biogeochemical data for validation by applying biogeochemical-IOP inversion models so that these parameters can be computed from real-time IOP sensors with high sampling rates. Research cruises supported by this project provides for collection and processing of seawater samples for biogeochemical (pigments, DOC and POC) and optical (CDOM and POM absorption coefficients) analyses to enhance our understanding of the linkages between in-water optical measurements (IOPs and AOPs) and biogeochemical constituents and to provide a more comprehensive suite of validation products.

Mannino, Antonio↗

DOE OSTI2020

A High-resolution Regional Wave Resource Characterization For The U.S. West Coast

Objectives/Scope: Wave resource characterization is a critical step for wave energy converter deployment in the coastal ocean and relies on long-term, high-resolution wave datasets. This study presents a detailed modeling study of the wave resource along the U.S. West Coast (Washington, Oregon, and California), a coastal region that was identified with high wave energy potential in earlier studies. Methods, Procedures, Process: The wave hindcast covers a 32-year period from 1979 to 2010 and is based on a multi-resolution, unstructured-grid SWAN model framework. Model configuration closely follows and meets the requirements recommended by the International Electrotechnical Commission Technical Specification (IEC TS) for wave energy resource assessment and characterization (Class 2 - feasibility study). The model domain covers the entire U.S. Exclusive Economic Zone (EEZ) in the West Coast and has a spatial resolution varying from ~300 m in the nearshore region (20 km from the shoreline) to ~2500 m within the EEZ and ~5000 m at the open boundary, which extends beyond the EEZ. The model was forced by hourly 2-D wave spectra produced by a two-way nested WaveWatch III model, which covers the global ocean domain and the broader U.S. West Coast region domain with spatial resolutions of 0.5 degree and 10 arc-minutes, respectively. Both wave models are forced by hourly, 0.5-degree wind forcing obtained from NCEP’s Climate Forecast System Reanalysis (CFSR) product. Results, Observations, Conclusions: The standard model output for the SWAN model includes 3-hourly output for the six IEC wave resource parameters (e.g., omnidirectional wave power) at each grid point and hourly 2-D spectra at more than 50 NDBC buoys. Extensive model validation was achieved by comparing the six model-predicted IEC parameters with those derived from field observations at representative NDBC buoys. The error statistics indicated the model’s satisfactory performance. Further analyses were conducted to systematically evaluate the temporal and spatial distributions of wave energy potential and wave climate along the U.S. West Coast. Results suggest that Washington and Oregon coasts have similar nearshore wave resource, which is significantly higher than resources in Southern California. Strong seasonal variations are also observed, e.g., high wave energy tends to occur in the winter months. In summary, this study produced the first high-resolution, comprehensive dataset on wave energy distribution along the U.S. West Coast. Novel/Additive Information: The results are being used by the National Renewable Energy Laboratory to update the MHK Atlas, which was originally derived from NOAA’s 4-arc-minute WaveWatch III model output. In addition, the monthly averaged wave energy climatology dataset can be readily shared to support a variety of research and application efforts within the EEZ of the U.S. West Coast.

Wang, Taiping↗

NASA NTRS1999

Modeling of Sub-Grid Heterogeneity and its Impact on GCM Global Radiation Balance

The spatial and temporal variability of high, low, and mid-level clouds is obtained from ISCCP D1 data. Monthly mean global maps of the observed cloud variability are used to re-scale GCM prognostic cloud optical depths and radiative parameters via the Monte Carlo cloud heterogeneity parameterization that utilizes the existing plane-parallel GCM radiative transfer model to compute radiative fluxes for inhomogeneous cloud distributions. The GCM radiative fluxes at TOA and the ground surface are then compared to ERBE and GEBA results. These comparisons show that including sub-grid cloud variability in the GCM radiative model improves agreement between the GCM radiative energy budget components and observations,

Lacis, Andrew↗

DOE OSTI2024

Observationally constrained analysis of sulfur cycle in the marine atmosphere with NASA ATom measurements and AeroCom model simulations

The atmospheric sulfur cycle plays a key role in air quality, climate, and ecosystems, such as pollution, radiative forcing, new particle formation, and acid rain. In this study, we compare the spatially and temporally resolved measurements from the NASA Atmospheric Tomography (ATom) mission with simulations from five AeroCom III models for four sulfur species (dimethyl sulfide (DMS), sulfur dioxide (SO 2 ), particulate methanesulfonate (MSA), and particulate sulfate (SO 4 )). We focus on remote regions over the Pacific, Atlantic, and Southern oceans from near the surface to ~12 km altitude range covering all four seasons. In general, the differences among model results can be greater than 1 order of magnitude. Comparing with observations, model-simulated SO 2 is generally low, whereas SO 4 is generally high. Simulated DMS concentrations near the sea surface exceed observed levels by a factor of 5 in most cases, suggesting potential overestimation of DMS emissions in all models. With GEOS model simulations of tagging emission from anthropogenic, biomass burning, volcanic, and oceanic sources, we find that anthropogenic emissions are the dominant source of sulfate aerosol (40 %–60 % of the total amount) in the ATom measurements at almost all altitudes, followed by volcanic emissions (18 %–32 %) and oceanic sources (16 %–32 %). Similar source contributions can also be derived at broad ocean basins and on monthly scales, indicating the representativeness of ATom measurements for global ocean. Our work presents the first assessment of AeroCom sulfur study using ATom measurements, providing directions for improving sulfate simulations, which remain the largest uncertainty in radiative forcing estimates in aerosol climate models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

A phase-field model for quasi-dynamic nucleation, growth, and propagation of rate-and-state faults

Despite its critical role in the study of earthquake processes, numerical simulation of the entire stages of fault rupture remains a formidable task. The main challenges in simulating a fault rupture process include the complex evolution of fault geometry, frictional contact, and off-fault damage over a wide range of spatial and temporal scales. Here, in this paper, we develop a phase-field model for quasi-dynamic fault nucleation, growth, and propagation, which features two standout advantages: (i) it does not require any sophisticated algorithms to represent fault geometry and its evolution; and (ii) it allows for modeling fault nucleation, propagation, and off-fault damage processes with a single formulation. Built on a recently developed phase-field framework for shear fractures with frictional contact, the proposed formulation incorporates rate- and state-dependent friction, radiation damping, and their impacts on fault mechanics and off-fault damage. We show that the numerical results of the phase-field model are consistent with those obtained from well-verified approaches that model the fault as a surface of discontinuity, without suffering from the mesh convergence issue in the existing continuous approaches to fault rupture (e.g., the stress glut method). Further, through numerical examples of fault propagation in various settings, we demonstrate that the phase-field approach may open new opportunities for investigating complex earthquake processes that have remained overly challenging for the existing numerical methods.

58 GEOSCIENCES↗

NASA NTRS2013

Quantifying the Impact of BOReal Forest Fires on Tropospheric Oxidants Over the Atlantic Using Aircraft and Satellites (BORTAS) Experiment: Design, Execution, and Science Overview

We describe the design and execution of the BORTAS (Quantifying the impact of BOReal forest fires on Tropospheric oxidants using Aircraft and Satellites) experiment, which has the overarching objective of understanding the chemical aging of airmasses that contain the emission products from seasonal boreal wildfires and how these airmasses subsequently impact downwind atmospheric composition. The central focus of the experiment was a two-week deployment of the UK BAe-146-301 Atmospheric Research Aircraft (ARA) over eastern Canada. The planned July 2010 deployment of the ARA was postponed by 12 months because of activities related to the dispersal of material emitted by the Eyjafjallaj¨okull volcano. However, most other planned model and measurement activities, including ground-based measurements at the Dalhousie University Ground Station (DGS), enhanced ozonesonde launches, and measurements at the Pico Atmospheric Observatory in the Azores, went ahead and constituted phase A of the experiment. Phase B of BORTAS in July 2011 included the same measurements, but included the ARA, special satellite observations and a more comprehensive measurement suite at the DGS. Integrating these data helped us to describe pyrogenic plumes from wildfires on a wide spectrum of temporal and spatial scales. We interpret these data using a range of chemistry models, from a near-explicit gas-phase chemical mechanism to regional and global models of atmospheric transport and lumped chemistry. We also present an overview of some of the new science that has originated from this project.

BORTAS↗

NASA NTRS1991

Electron and ion temperature data for ionospheric modelling

The major sources ionospheric temperature data are the incoherent scatter radars and in situ instruments (Langmuir probe, retarding potential analyzer) flown on several long-lasting satellite missions. The paper provides an overview over the different data sets and discusses their volume, temporal and spatial resolution, accuracy, and their availability. The state-of-the-art of empirical modeling of ionospheric plasma temperatures is examined, and present shortcomings and future data needs are pointed out. Special emphasis is given to the representation of auroral features, temperature anisotropies, and of solar-cycle variations. Finally, the possibility of using theoretical results to fill data gaps for empirical modeling is considered.

Bilitza, Dieter↗

NASA NTRS2019

Assimilation of Sentinel 1 and SMAP – Based Satellite Soil Moisture Retrievals into SWAT Hydrological Model: the Impact of Satellite Revisit Time and Product Spatial Resolution on Flood Simulations in Small Basins

In runoff generation process, soil moisture plays an important role as it controls the magnitude of the flood events to the rainfall inputs. In this study, we investigated the ability of a new era of satellite soil moisture retrievals to improve the Soil & Water Assessment Tool (SWAT) daily discharge simulations via soil moisture data assimilation for two small (< 500 km2) and hydrologically different catchments located in Central Italy. We ingested 1) the Soil Moisture Active and Passive (SMAP) Enhanced L3 Radiometer Global Daily 9 km EASE-Grid soil moisture, 2) the Advanced SCATterometer (ASCAT) H113 soil moisture product released within the EUMETSAT Satellite Application Facility on Support to Operational Hydrology and Water Management (H-SAF) which has a nearly daily temporal resolution and sampling of 12.5 km, and 3) a fused ASCAT/Sentinel-1 (S1) satellite soil moisture product named SCATSAR-SWI with temporal and spatial sampling of 1 day and 1 km, respectively into SWAT hydrological model via Ensemble Kalman Filter (EnKF). Different configurations were tested with the aim of exploring the effect of the hydrological regime, the land use conditions, the spatial sampling and the revisit time of the products (which controls the amount of available data to be potentially ingested). Results show a general improvement of SWAT discharge simulations for all products in terms of error and Nash Sutcliffe efficiency index. In particular, we found a relatively good behavior of both the active and the passive products in terms of low flows improvement especially for the catchment characterized by a higher baseflow component. The benefit of the higher spatial resolution of SCATSAR obtained via S1 over ASCAT was small likely due to very challenging areas for S1 retrieval. Eventually, better performances were obtained for the passive product in the more forested catchment. With the aim of exploring the benefit of having more frequent satellite soil moisture observations to be ingested, we tested the performance of the ASCAT product with a reduced temporal sampling obtained by temporally matching ASCAT observations to that of SMAP. The results show a significant reduction of the performance of ASCAT, suggesting that the correction frequency (due to the higher number of observations available) for small catchments is an important aspect for improving flood forecasting as it helps to adjust more frequently the soil moisture pre-storm conditions.

Small basins↗

NASA NTRS2019

Assimilation of Sentinel 1 and SMAP–based satellite soil moisture retrievals into SWAT hydrological model: the impact of satellite revisit time and product spatial resolution on flood simulations in small basins

In runoff generation process, soil moisture plays an important role as it controls the magnitude of the flood events in response to the rainfall inputs. In this study, we investigated the ability of a new era of satellite soil moisture retrievals to improve the Soil & Water Assessment Tool (SWAT) daily discharge simulations via soil moisture data assimilation for two small (< 500 km2) and hydrologically different catchments located in Central Italy. We ingested 1) the Soil Moisture Active and Passive (SMAP) Enhanced L3 Radiometer Global Daily 9 km EASE-Grid soil moisture, 2) the Advanced SCATterometer (ASCAT) H113 soil moisture product released within the EUMETSAT Satellite Application Facility on Support to Operational Hydrology and Water Management (HSAF) which has a nearly daily temporal resolution and sampling of 12.5 km, and 3) a fused ASCAT/Sentinel-1 (S1) satellite soil moisture product named SCATSAR-SWI with temporal and spatial sampling of 1 day and 1 km, respectively into SWAT hydrological model via the Ensemble Kalman Filter (EnKF). Different configurations were tested with the aim of exploring the effect of the hydrological regime, the land use conditions, the spatial sampling and the revisit time of the products (which controls the amount of available data to be potentially ingested). Results show a general improvement of SWAT discharge simulations for all products in terms of error and Nash Sutcliffe efficiency index. In particular, we found a relatively good behavior of both the active and the passive products in terms of low flows improvement especially for the catchment characterized by a higher baseflow component. The benefit of the higher spatial resolution of SCATSAR-SWI obtained via S1 over ASCAT was small, likely due to very challenging areas for the S1 retrieval. Eventually, better performances were obtained for the passive product in the more forested catchment. With the aim of exploring the benefit of having more frequent satellite soil moisture observations to be ingested, we tested the performance of the ASCAT product with a reduced temporal sampling obtained by temporally matching ASCAT observations to that of SMAP. The results show a significant reduction of the performance of ASCAT, suggesting that the correction frequency (due to the higher number of observations available) for small catchments is an important aspect for improving flood forecasting as it helps to adjust more frequently the pre-storm soil moisture conditions.

Shima Azimi↗

DOE OSTI2023

Spatial-Temporal Recurrent Graph Neural Networks for Fault Diagnostics in Power Distribution Systems

Fault diagnostics are extremely important to decide proper actions toward fault isolation and system restoration. The growing integration of inverter-based distributed energy resources imposes strong influences on fault detection using traditional overcurrent relays. This paper utilizes emerging graph learning techniques to build new temporal recurrent graph neural network models for fault diagnostics. The temporal recurrent graph neural network structures can extract the spatial-temporal features from data of voltage measurement units installed at the critical buses. From these features, fault event detection, fault type/phase classification, and fault location are performed. Compared with previous works, the proposed temporal recurrent graph neural networks provide a better generalization for fault diagnostics. Moreover, the proposed scheme retrieves the voltage signals instead of current signals so that there is no need to install relays at all lines of the distribution system. Therefore, the proposed scheme is generalizable and not limited by the number of relays installed. The effectiveness of the proposed method is comprehensively evaluated on the Potsdam microgrid and IEEE 123-node system in comparison with other neural network structures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRSDate not supplied

Visualizing UPSP Data with Python

The Unsteady Pressure-Sensitive Paint (uPSP) projects uses Pressure-Sensitive paint applied over aerospace models during wind tunnel testing to collect pressure data with high spatial and temporal resolution in order to inform unsteady aerodynamics studies. For each of the 800+ experimental runs, four cameras generate up to 50 GB of video data, which must then be processed, analyzed, and visualized on the NASA Advanced Supercomputing system (NAS) to assess the result. One of the final data analysis products is the dynamic modal decomposition (DMD) results, which decomposes the pressure reading signals by their frequency component. The goal of this project is to visualize the DMD results over a 3D rendering of the model, using efficient and parallelized python routines. The software uses the pytecplot library, a high-level API that connects python scripting to a Tecplot 360 engine. Tecplot is an industry standard high-performance visualization tool that can handle large datasets and workflow. Various animation, rendering, and image-combination techniques were investigated to generate the final videos using OpenCV on the NAS. The final result is a software tool that takes in data products from the uPSP processing chain and generates high resolution visualization videos in parallel for every data file, allowing researchers to view their results efficiently and at an unprecedentedly detailed level.

Emma Dolores McMillian↗

NASA NTRS1986

Time-dependent numerical modeling of dust halo formation at comets

The evolution of gas and dust distributions following a spatially and temporally localized comet outburst was calculated using a hybrid kinetic-hydrodynamic method. In the inner coma the time-dependent continuity, momentum, and energy equations of the dusty gas flow were solved simultaneously using 12 dust sizes. Beyond 300 km a three-dimensional kinetic model was used to calculate the trajectory of each individual dust grain. It was found that following the onset of the comet outburst a gas-dust blast wave propagates outward in the inner coma. About 15 minutes after the increased gas and dust production was initiated at the nucleus, a new equilibrium was reached in the inner coma. The most important feature of this new steady state was the significant increase of the dust terminal velocities. These higher terminal velocity values resulted in larger apex distances for dust particles emitted during the outburst. The dust particles spend a relatively long time near their apex points; therefore, the outburst generates long-lasting distinct dust envelopes in front of the regular dust coma.

Gombosi, T. I.↗

NASA NTRS2020

Review: Strategies for Using Satellite-Based Products in Modeling PM2.5 and Short-Term Pollution Episodes

Short-term air pollution episodes motivate improved understanding of the association between air pollution and acute morbidity and mortality episodes, and triggers required mitigation plans. A variety of methods have been employed to estimate exposure to air pollution episodes, including GIS-based dispersion models, interpolation between sparse monitoring sites, land-use regression models, optimization models, line- or area-dispersion plume models, and models using information from imaging satellites, often including land-use and meteorological variables. There has been increasing use of satellite-borne aerosol products for assessing short-term air quality events. They provide better spatial coverage, but currently at the price of low temporal coverage and rather crude spatial resolution. This brief review of using satellite data for modeling short-term air quality and pollution events. The review can be pursued as a practical guide for modeling air quality with satellite-based products, as it includes important questions that should be considered in both the study design as well as the model development stages. Progress in this field is detailed and includes published models and their use in environmental and health studies. Both current and future satellite-borne capabilities are covered. It also provides links to access and download relevant datasets and some R code for data processing and modeling.

Meytar Sorek-Hamer↗

NASA NTRS2002

A provisional regulatory gene network for specification of endomesoderm in the sea urchin embryo

We present the current form of a provisional DNA sequence-based regulatory gene network that explains in outline how endomesodermal specification in the sea urchin embryo is controlled. The model of the network is in a continuous process of revision and growth as new genes are added and new experimental results become available; see http://www.its.caltech.edu/~mirsky/endomeso.htm (End-mes Gene Network Update) for the latest version. The network contains over 40 genes at present, many newly uncovered in the course of this work, and most encoding DNA-binding transcriptional regulatory factors. The architecture of the network was approached initially by construction of a logic model that integrated the extensive experimental evidence now available on endomesoderm specification. The internal linkages between genes in the network have been determined functionally, by measurement of the effects of regulatory perturbations on the expression of all relevant genes in the network. Five kinds of perturbation have been applied: (1) use of morpholino antisense oligonucleotides targeted to many of the key regulatory genes in the network; (2) transformation of other regulatory factors into dominant repressors by construction of Engrailed repressor domain fusions; (3) ectopic expression of given regulatory factors, from genetic expression constructs and from injected mRNAs; (4) blockade of the beta-catenin/Tcf pathway by introduction of mRNA encoding the intracellular domain of cadherin; and (5) blockade of the Notch signaling pathway by introduction of mRNA encoding the extracellular domain of the Notch receptor. The network model predicts the cis-regulatory inputs that link each gene into the network. Therefore, its architecture is testable by cis-regulatory analysis. Strongylocentrotus purpuratus and Lytechinus variegatus genomic BAC recombinants that include a large number of the genes in the network have been sequenced and annotated. Tests of the cis-regulatory predictions of the model are greatly facilitated by interspecific computational sequence comparison, which affords a rapid identification of likely cis-regulatory elements in advance of experimental analysis. The network specifies genomically encoded regulatory processes between early cleavage and gastrula stages. These control the specification of the micromere lineage and of the initial veg(2) endomesodermal domain; the blastula-stage separation of the central veg(2) mesodermal domain (i.e., the secondary mesenchyme progenitor field) from the peripheral veg(2) endodermal domain; the stabilization of specification state within these domains; and activation of some downstream differentiation genes. Each of the temporal-spatial phases of specification is represented in a subelement of the network model, that treats regulatory events within the relevant embryonic nuclei at particular stages. (c) 2002 Elsevier Science (USA).

Non-NASA Center↗

DOE OSTI2021

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↗

DOE OSTI2022

Crash Risks Evaluation of Urban Expressways: A Case Study in Shanghai

We report that proactive traffic safety management systems can reduce crashes by identifying crash precursors, evaluating real-time crash risks, and implementing suitable interventions. The basic prerequisite for developing such a system is to propose a reliable crash risk evaluation model that takes real-time traffic flow data as input. Previous studies have primarily focused on real-time crash prediction using some statistical or machine-learning methods. However, further quantitative evaluation and classification of crash risks have been ignored. In this study, we conduct a systematic crash risk evaluation workflow, including crash risk prediction, crash risk quantification, and crash risk classification. Specifically, the crash risk prediction using an extended logit model is proposed, from which CAS, CSD, UAS, DAS, DTV are identified to be contributing factors of crash risks. Then a crash risk quantification model based on the parameter evaluation of the extended logit model is developed. The crash risks of urban expressways and their spatial-temporal evolution trends are quantified. Finally, the crash risks are classified into high crash risk level, moderate crash risk level, and low crash risk level by the k-means cluster algorithm. Then the threshold boundaries of different crash risk levels are determined. The research results provide a proactive guidance for traffic safety management of urban expressways.

33 ADVANCED PROPULSION SYSTEMS↗