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DOE OSTI2025

Computing Reaction Kinetics with MC-PDFT–OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling

Accurate rate constants are crucial for understanding and optimizing catalytic reactions mediated by enzymes, metalloproteins, and heterogeneous catalysts. These systems frequently present a dual computational challenge. Multiconfigurational reaction sites require multireference techniques for the accurate treatment of the electronic structure, and high activation barriers prevent efficient sampling of unbiased reactive transitions. In this work, we combine multiconfiguration pair-density functional theory (MC-PDFT) as an accurate and efficient multireference electronic structure method with on-the-fly probability-enhanced sampling flooding (OPESf) as an enhanced sampling method capable of accelerating reactive transitions. We demonstrate the approach on the Diels–Alder [4+2] cycloaddition between cis-butadiene and ethene as a reaction characterized by a large activation barrier and multireference character. MC-PDFT–OPESf provides reaction rates in agreement with experiments at a fraction of the computational cost required by conventional unbiased ab initio calculations. Here, we propose MC-PDFT–OPESf as an efficient approach for computing kinetics in strongly correlated molecular systems.

Chemical calculations↗

DOE OSTI2023

Recreating the California New Year's Flood Event of 1997 in a Regionally Refined Earth System Model

Abstract The 1997 New Year's flood event was the most costly in California's history. This compound extreme event was driven by a category 5 atmospheric river that led to widespread snowmelt. Extreme precipitation, snowmelt, and saturated soils produced heavy runoff causing widespread inundation in the Sacramento Valley. This study recreates the 1997 flood using the Regionally Refined Mesh capabilities of the Energy Exascale Earth System Model (RRM‐E3SM) under prescribed ocean conditions. Understanding the processes causing extreme events informs practical efforts to anticipate and prepare for such events in the future, and also provides a rich context to evaluate model skill in representing extremes. Three California‐focused RRM grids, with horizontal resolution refinement of 14 km down to 3.5 km, and six forecast lead times, 28 December 1996 at 00Z through 30 December 1996 at 12Z, are assessed for their ability to recreate the 1997 flood. Planetary to synoptic scale atmospheric circulations and integrated vapor transport are weakly influenced by horizontal resolution refinement over California. Topography and mesoscale circulations, such as the Sierra barrier jet, are better represented at finer horizontal resolutions resulting in better estimates of storm total precipitation and storm duration snowpack changes. Traditional time‐series and causal analysis frameworks are used to examine runoff sensitivities state‐wide and above major reservoirs. These frameworks show that horizontal resolution plays a more prominent role in shaping reservoir inflows, namely the magnitude and time‐series shape, than forecast lead time, 2‐to‐4 days prior to the 1997 flood onset.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Natural attenuation of uranium in a fluvial Wetland: Importance of hydrology and speciation

A nuclear fuel fabrication facility released 43,500 kg of uranium into a riparian wetland located on the Savannah River Site between 1955 and 1988. Studies were undertaken to evaluate hydrological and geochemical processes influencing uranium accumulation in the wetland. Gamma-radiation-mapping surveys were conducted by systematically walking over the contaminated wetland with backpacks equipped with global positioning systems and NaI gamma detectors. Based on maps compiled from >700,000 gamma spectra and eight sediment uranium depth profiles, it was determined that 94% of the released uranium remained in the wetland. The uranium in the wetland is concentrated in five multi-hectare areas along the stream, accounting for ~11% of the land area adjacent to the stream. While land type (upland or wetland) and topography provided a reasonable first approximation of where much of the uranium was deposited, hydrological watershed modeling revealed that the stream velocity was especially slow through many of the hot spots. Here, using autoradiography combined with SEM/EDX measurements of contaminated sediments, surprisingly few hot particles were detected. Instead, uranium was evenly distributed throughout the sampled sediment, suggesting that dissolved uranium had bound to sediment particles that became suspended and later deposited in low energy (low flow velocity) portions of the stream. EXAFS suggested that U atoms were present as individual ions in disordered complexes within the sediment. Furthermore, linear combination analyses suggested that the predominant component of the U(VI) was adsorbed to sediment minerals (~70%) and a minor component (~30%) was associated with organic matter phases. Furthermore, these studies show that wetlands can be extraordinarily effective at binding and retaining uranium, thereby providing a natural barrier to the transport of uranium out of a watershed. However, significant anthropogenic or climatic changes to wetlands, such as those associated with flooding, forest fires, or land use, may disrupt the complex hydrological and biogeochemical balance necessary to maintain long-term immobilization of uranium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1982

Hydrology team

General problems faced by hydrologists when using historical records, real time data, statistical analysis, and system simulation in providing quantitative information on the temporal and spatial distribution of water are related to the limitations of these data. Major problem areas requiring multispectral imaging-based research to improve hydrology models involve: evapotranspiration rates and soil moisture dynamics for large areas; the three dimensional characteristics of bodies of water; flooding in wetlands; snow water equivalents; runoff and sediment yield from ungaged watersheds; storm rainfall; fluorescence and polarization of water and its contained substances; discriminating between sediment and chlorophyll in water; role of barrier island dynamics in coastal zone processes; the relationship between remotely measured surface roughness and hydraulic roughness of land surfaces and stream networks; and modeling the runoff process.

Ragan, R.↗

DOE OSTI2025

Five Years of Dissolved Oxygen, Temperature, Salinity, Depth, Weather Data from a Transitioning Wetland at Beaver Creek, Washington, USA

Groundwater dissolved oxygen (DO) variability in coastal system remains poorly understood despite its importance for biogeochemical cycling and ecosystem modeling. Here we investigate the temporal variability in groundwater DO and its hydro-climatic drivers across hourly to seasonal timescales in a transitioning wetland at Beaver Creek, Washington, USA. The site is transitioning from a freshwater forest to a brackish tidal wetland following removal of a barrier in 2014 that prevented tides from accessing the freshwater creek. By utilizing novel optical dissolved oxygen instrumentation (Opti O2, LLC) we obtained continuous, high-frequency (5-minute), in-situ measurements of DO from the flood-plain from June 26th, 2019 through September 30th, 2024. This 63 month dataset is comprised of groundwater dissolved oxygen, temperature, water level and salinity timeseries from the floodplain. This dataset also includes rainfall, air pressure, air temperature, and solar radiation data collected with a co-located Campbell ClimaVUE50 weather sensor. All data is contained within a single csv (2019-06-26 to 2024-09-30 Beaver Creek DO, saln, BGS, temp, weather.csv) that can easily be viewed either using software such as Excel or using any text editor.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Using AI to build a hydrobiogeochemical soil model

Soil water content is a function of inputs from precipitation and outputs via evaporation, transpiration, lateral flow, and vertical percolation, and is sensitive to biogeochemical processes. As such, soils serve as an ideal integrator of atmospheric, hydrological, and biogeochemical processes affecting the water cycle. In addition, soil water retention capacity, infiltration rates, and hydraulic conductivity can buffer or exacerbate the effects of extreme precipitation events (e.g., flooding, runoff, subsurface transport, erosion, greenhouse gas emissions) and mitigate the impact of droughts and heat waves on land systems (e.g., fire, crop failure). However, integrating water cycle measurements spanning different land atmosphere compartments across scales is a fundamental barrier for numerical model predictability. A significant challenge is that each domain (soil, hydrology, biology, and atmosphere) typically collects different sets of data at different temporal and spatial frequencies/scales, and even different dimensionalities (2D vs 3D). To implement soil as an integrator of the water cycle in land models, we suggest that novel machine learning (ML) tools can be developed to effectively simulate complex landscapes across various domains and scales, extended to regions with sparse or no data. The ultimate goals are to improve predictive understanding of land-atmosphere interactions and to extend the predictability of current Earth System Models (ESMs) through better integration of hydrological and biogeochemical data. We envision a framework in which: (1) ML-aided data reconstructions enable the merger of data sources into a unified geospatial product; (2) automated detection techniques are used to improve the knowledge of complex soil processes and interactions; and (3) this knowledge is leveraged and incorporated into models through AI-based emulators to distinctly connect the land and atmospheric compartments of the water cycle in models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Performance-Limiting Factors of Hydrocarbon Ionomeric Binders for Fuel Cells and Electrolyzers

Here, the move toward nonfluorinated hydrocarbon ionomers for fuel cells and electrolyzers is driven by potential restrictions on polyfluoroalkyl substances such as Nafion. This study examines the key limitations of hydrocarbon ionomers through half- and single-cell experiments with model hydrocarbon ionomers. Half-cell tests reveal three major performance barriers: undesirable adsorption, electrochemical oxidation, and low gas permeability. Competitive sulfate adsorption helps counteract ionomer adsorption and oxidation. These findings align with single-cell performance data, which further reveal additional oxygen mass transport limitations likely caused by localized electrode flooding. Together, these findings offer valuable insights to guide the development of high-performance, fluorine-free hydrocarbon ionomers for next-generation fuel cells and electrolyzers.

Choi, Jong-Ho [Los Alamos National Laboratory (LAN↗

DOE OSTI2025

“When I talk about it, my eyes light up!” Impacts of a national laboratory internship on community college student success

Participation in technical/research internships may improve undergraduate graduation rates and persistence in science, technology, engineering, and mathematics (STEM), yet little is known about the benefits of these activities a) for community college students, b) when hosted by national laboratories, and c) beyond the first few years after the internship. We applied Social Cognitive Career Theory (SCCT) to investigate alumni perspectives about how CCI at Lawrence Berkeley National Laboratory (LBNL) impacted their academic/career activities. We learned that alumni had low confidence and expectations of success in STEM as community college students. Participation in CCI increased their professional networks, expectations of success, and STEM skills, identity, and self-efficacy/confidence. Hispanic/Latinx alumni recalled the positive impact of mentors who prioritized personal connections, and women valued "warm" social environments. We propose several additions to the SCCT model, to better reflect the supports and barriers to STEM persistence for community college students.

careers↗

NASA NTRS2021

Trends in Barrier Island Geomorphology Under Continuous Sea Level Rise: Padre Island from 1940-2020

Barrier islands serve an important role in shielding coastal areas from storm surges and wave erosion. Monitoring changes in a barrier island system helps determine the combined effect of sediment supply, aeolian sand transport, storms and sea level rise (SLR) on long-term island survival. Here we present and discuss changes to the southern end of Padre Island (TX),including a back-barrier active dune field, across 7 decades from 1941 - 2020. We have used aerial photos, satellite imagery, and field monitoring to map the decadal and seasonal geomorphological changes. We produced facies maps for each decade from 1970 to present, complemented with qualitative observations for 1941-1970, when aerial imagery was incomplete. We also used supervised classification to monitor monthly changes in the availability of sand for aeolian transport over a full seasonal cycle, to determine the role of the fluctuating water table on the sand budget of the active dune field. Results indicate that the southern end of Padre Island experienced significant change over the study period, transitioning from unvegetated dune fields and sand flats to expansive vegetated dunes, a tidal flat with microbial mats and a shrinking active dune field. Vegetated dunes, absent in 1970, now cover 14% of the study area. The active dune field shrunk from 12%coverage to 6%, with sand available for transport varying from 3% to 21% as the water table fluctuates throughout the year. The infrequently flooded back-island sand flat covering 40% of the study area has transitioned to a lower-lying tidal flat. Furthermore, extensive microbial mats and crusts have developed within the wind-tidal flat, in washover fans, and in low-lying interdune areas. All these early signs are consistent with a progressive drowning of the barrier island, an event we hypothesize was triggered by the sudden spread of vegetation along the back-beach dunes. Plant colonization then cut off sand supply from the beach to the back-barrier, and thus access to the primary source of sand to the system. Our findings highlight the contradictory role of vegetation in barrier islands, as they stabilize dunes and promote sand accretion at the back-beach, while also isolating the back-barrier from aeolian sediment sources, thus amplifying the effects of sea level rise in the absence of salt marshes and/or mangrove platforms.

K R Fisher↗

DOE OSTI2025

River Dissolved Oxygen Prediction Using Machine Learning Models and Wireless Sensor Measurements

Simultaneous flooding&heat and droughts&heat events can potentially destabilize hydro-meteorological conditions to deteriorate the water quality of Neches River. Machine learning (ML) models utilizing wireless sensor measurements have been applied to predict water quality and optimize various water management strategies. This study aims to develop ML models to predict dissolved oxygen (DO) prediction under various hydro-meteorological conditions and enhance water management decision-making. Wireless sensor measurements of DO, water temperature, sample depth, conductivity, turbidity, and pH, along with discharge from the United States Geological Survey stations, are collected for model inputs at the Pine Island Bayou C749 station (PIB-C749) and Neches River Saltwater Barrier (SWB). Multilayer perceptron neural networks, recurrent neural networks, long short-term memory (LSTM), and bidirectional LSTM (BiLSTM) with and without attention mechanism (AT) are tested to determine the best model, which is applied the rolling forecast method to predict 14-day DO. Traditional and recurrent transfer learning (TL and RTL) methods are adopted to overcome insufficient data at the SWB. The input feature importance analysis using the integrated gradients (IG) algorithm is applied to determine dominant inputs. The results show LSTM-based models are capable handling long sequential data. AT-BiLSTM and RTL-LSTM demonstrate the best performance at the PIB-C749 (RMSE=0.054) and the SWB (RMSE=0.028), respectively. TL and RTL methods significantly improve model performance at the SWB. DO, temperature, and pH show higher importance, consistent with hydrodynamics and water chemistry. Both best models are applied to predict 14-day DO and demonstrate reasonable performance for decision-making. Hydro-meteorological conditions of 2017 flood and 2012 drought events are simulated and reveal that possible hypoxia occurs after flooding due to increasing temperature and turbidity, and DO concentration decreases significantly under heat and drought conditions. In conclusion, LSTM-based models utilizing wireless sensor data can be a timely and effective approach to make appropriate decisions on water resource management.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Non-planar platinum group metal-free fuel cell cathodes for enhanced oxygen transport and water rejection

Proton exchange membrane fuel cells (PEMFC) with cathodes using platinum group metal-free (PGM-free) catalysts could significantly reduce costs, but the lower volumetric oxygen reduction reaction (ORR) activity requires thick electrodes that suffer from liquid water flooding and increased oxygen transport resistance. To address these challenges, we developed a 3D gas diffusion electrode (GDE) architecture to enhance liquid water removal through the diffusion media and reduce cathode saturation. The cathode features a uniform catalyst layer adjacent to the membrane for high ORR activity and then pillars of the hydrophilic catalyst layer that pass through the microporous layer (MPL), providing a low capillary pressure barrier pathway to the carbon fiber paper layer and channel. The non-planar cathode also increases the interfacial area between the catalyst layer and hydrophobic MPL for a greater fraction of the cathode with high O 2 concentration. Our studies included parametric experimental study of the pillar density to identify the optimum pitch between pillars. Our measurements show significant improvements in the mass transport region of the polarization curve with 3D structured electrodes leading to an 8% increase in maximum current density, 19% increase in maximum power density, and 16% increase in current density at 0.67 V with air.

25 ENERGY STORAGE↗

NASA NTRSDate not supplied

Decadal and seasonal changes in barrier island geomorphology at Padre Island from 1950-2020

Barrier islands serve an important role in shielding coastal areas from storm surges and wave erosion. Monitoring changes in a barrier island system helps determine the effect of storms and sea level rise (SLR) on island stability. Changes in geomorphic facies on the islands may be indicators of an island shifting out of an equilibrium state. Here, we used aerial and satellite images of Padre Island, Texas near Mansfield Pass, to map the decadal and seasonal geomorphological changes from 1970-2020. Inspection of the images reveals that this area experienced significant change over the past five decades, transitioning from unvegetated dune fields and sand flats to expansive vegetated dunes and a tidal flat with microbial mats. Vegetated dunes, absent in 1970, now cover 14% of the study area. The active dune field shrunk from 12% coverage to 6%. The infrequently flooded back-island sand flat covering 40% of the study area has transitioned to a lower-lying tidal flat. Extensive microbial mats and crusts have developed within the wind-tidal flat, in washover fans, and in low-lying interdune areas. Possible triggers for the transition from active sand dune fields to microbial mats and vegetation may be modifications to the island topography post-hurricane Allen in 1980 and a sea-level driven water table rise. The local sea level has risen 16 cm over the study period. Monthly mapping over a full year demonstrated the strong influence the seasonal water cycle has on the back-island facies. Aeolian transport plays a primary role in the back-island geomorphology, however the availability of sand for transport is highly variable from month to month as the surface fluctuates in and out of the capillary fringe. The increasing prevalence of water table-driven facies changes leads to the conclusion that back-barrier accretion is not keeping pace with relative SLR. These facies changes may be the first signs of a degrading microtidal barrier island.

K.R. Fisher↗

NASA NTRS1971

Electron tunneling as a basis for semiconduction in proteins

Electron tunneling is investigated as a possible mechanism for the conduction of electrical current in solids composed of protein molecules. An intermolecular potential barrier is assumed which takes into account the applied electric field and the possibility of image charge effects. The WKB approximation is used to calculate the net tunneling current density and resulting conductivity. The results suggest that electron tunneling per se is not a suitable mechanism for explaining the observed conductivities in such materials.

Flax, L.↗

DOE OSTI2020

Big Sky Regional Carbon Sequestration Partnership (Phase III Final Scientific/Technical Report)

The Big Sky Carbon Sequestration Partnership (BSCSP) pursued a Phase III demonstration project at Kevin Dome in north central Montana. Kevin Dome covers approximately 700 square miles and is a naturally occurring CO 2 reservoir that is flanked by oil and gas fields. The carbon dioxide (CO 2 ) is in the upper Devonian Duperow (carbonate) formation and does not reach the spill point of the dome; therefore, the dome has potential as a CO 2 sequestration reservoir, a CO 2 supply, or as both if anthropogenic sources and enhanced oil recovery (EOR) operations are associated with the dome. Kevin Dome could potentially act as a buffer to continue accepting anthropogenic CO 2 when EOR flooding operations are interrupted or completed. The project objective was to produce one million tonnes of CO 2 from the gas cap of Kevin Dome, pipe it laterally, inject, and re-store it in the brine leg of the same formation to test the hub / buffer storage concept. This was to be accomplished by drilling up to five production wells, building a short pipeline and compression facilities, and drilling an injection well and several monitoring wells. BSCSP commenced outreach and site characterization activities including acquiring baseline data for near-surface insurance monitoring, acquiring 3-dimensional, 9-component surface seismic over the project area, drilling two test wells (one in the production area and one in the injection area), coring key intervals, and performing comprehensive logging. Well tests of those wells revealed two barriers to the project. The production (Danielson 33-17) well was perforated in multiple zones but failed to produce any significant CO 2 . This was despite being drilled in the near vicinity of a historic well that had produced 3700 MCF per day in a drill stem test. Modeling indicated that this was likely due to a phase change during production causing a temperature drop resulting in hydrate and/or water ice formation that clogged the formation. Tests of the injection zone (Wallewein 22-1) well indicated total dissolved solids (TDS) slightly below the EPA required 10,000 parts per million (ppm) for a Class VI underground injection control permit. While the project was initiated before Class VI rules were promulgated, and this was an experimental project (seemingly qualified for a Class V permit), the Environmental Protection Agency (EPA) indicated that injection would require a Class VI permit. The low salinity result was unexpected as contours plotted based on regional formation water quality data indicated an expected TDS above 20,000 ppm, and wells between the recharge zone and the Wallewein well tested above 10,000 ppm. Faced with the inability to obtain an injection permit, the demonstration project could not proceed. However, the project had generated valuable samples and data on a large natural analog including 32 sq. mi. of 3-D, 9-C seismic, 430 ft. of carbonate core covering seven different depositional environments taken from areas with, and without the presence of CO 2 , 30 ft. of core of two caprocks, a tight carbonate and an anhydrite, a full set of modern logs on both wells, and well tests. DOE decided to re-scope the project around completing studies utilizing this data. This report covers both the initial scope and the re-scope (Task / Section numbers preceded with an R). While the report covers a wide range of project activities, highlights of this work include: Development of a geostatic model using neural nets to match well logs to facies and using multi-waveform seismic to inform reservoir heterogeneity; Unique mechanical testing of permeability – stress relationship in two caprock materials; Development of full waveform inversion to generate a high resolution velocity model; Model development for dual permeability (fracture and matrix) systems to better account for matrix-matrix interactions; Joint seismic wave inversion (including the first quadr-joint inversion) exhibiting better imaging of a challenging reservoir zone in stiff rock; Core flow and core flood results on a reactive carbonate; and Innovative laboratory measurements of seismic response of fractured core as a function of fluid fill.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

A Synoptic System for Capturing Ecosystem Control Points Across Terrestrial‐Aquatic Interfaces

Interconnected landscape features such as terrestrial‐aquatic interfaces play an outsized role in biogeochemical cycles as ecosystem control points, but it is notoriously challenging to characterize these. Here, we document a synoptic sensor network design that is (a) flexible to accommodate diverse ecosystem interfaces and gradients, (b) adaptable to monitoring and modeling needs of small and large projects alike, (c) standardized for intercomparability across sites and field experiments, and (d) adequately replicated to capture heterogeneity of each parameter monitored. This real‐time monitoring of surface water, groundwater, soil, and vegetation supports configuration and evaluation of models that span upland, wetland, open water strata, and transitions between them. We established the network at seven sites along the Chesapeake Bay and Lake Erie coastlines, including large‐scale flood manipulation experiments in both regions. A central design element is “one data logger program to rule them all”—a collection of sensor‐specific modules deployed on 40 loggers controlling ∼2,000 sensors, with the goal of streamlining maintenance, debugging, and reproducible data processing. The network generates ∼6 M observations per month, capturing system dynamics at the broad spatial and fine temporal scales needed to initialize and benchmark models; measurement frequency can be modified remotely to capture events. This network design has also revealed behaviors not represented in Earth system models, such as transient groundwater oxygen pulses. Completely documented and open source, this standardized, flexible, and efficient sensor network design can reduce barriers to understanding environmental changes and ecosystem responses across systems and scales.

Ward, Nicholas D. [Pacific Northwest National Labo↗

DOE OSTI2023

Intensification of Hurricane Sally (2020) over the Mississippi River Plume

Abstract Tropical Cyclone (TC) Sally formed on 11 September 2020, traveled through the Gulf of Mexico (GMX), and intensified rapidly before making landfall on the Alabama coast as a devastating category-2 TC with extensive coastal and inland flooding. In this study, using a combination of observations and idealized numerical model experiments, we demonstrate that the Mississippi River plume played a key role in the intensification of Sally near the northern Gulf Coast. As the storm intensified and its translation slowed before landfall, sea surface cooling was reduced along its track, coincident with a pronounced increase in SSS. Further analysis reveals that TC Sally encountered a warm Loop Current eddy in the northern GMX close to the Mississippi River plume. Besides deepening the thermocline, the eddy advected low-salinity Mississippi River plume water into the storm’s path. This resulted in the development of strong upper-ocean salinity stratification, with a shallow layer of freshwater lying above a deep, warm “barrier layer.” Consequently, TC-induced mixing and the associated sea surface cooling were reduced, aiding Sally’s intensification. These results suggest that the Mississippi River plume and freshwater advection by the Loop Current eddies can play an important role in TC intensification near the U.S. Gulf Coast.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1974

Remote sensing in Michigan for land resource management: Waterfowl habitat management at Pointe Mouillee

For many years the Pointe Mouillee State Game Area, located on the Lake Erie shoreline just south of Detroit, has been a prime waterfowl habitat. The usefulness of the site for this purpose has been impaired because of the gradual deterioration of the marshland and severe flooding and storms during the spring of 1973. Also, it has been proposed that a dredge spoils area be located in or near the marsh. To aid the future management of a diked refuge area of 148 hectares within the State Game Area, a detailed vegetation inventory was prepared by photointerpretation and a generalized vegetation inventory was obtained by processing multispectral scanner imagery. Also, an analysis was conducted to determine the magnitude of past losses of marshland and the possibilities of replacing this lost habitat. The analysis indicated that large additions to waterfowl habitat could be provided by changes in management of vegetation in existing sections of the State Game Area, through acquisition and conversion of adjacent land by the Michigan Department of Natural Resources, and by the proposed construction of a barrier dike offshore of Pointe Mouillee. Altogether, the various measures considered in this report could affect a total area of nearly 13 sq. km.

Sellman, A. N.↗

DOE OSTI2024

Implementing Superresolution of Nonstationary Tides with Wavelets: An Introduction to CWT_Multi

Abstract Tides are often nonstationary due to nonastronomical influences. Investigating variable tidal properties implies a trade-off between separating adjacent frequencies (using long analysis windows) and resolving their time variations (short analysis windows). Previous continuous wavelet transform (CWT) tidal methods resolved tidal species. Here, we present CWT_Multi, a MATLAB code that 1) uses CWT linearity (via the “response coefficient method”) to implement superresolution, i.e., resolving tidal constituents beyond the Rayleigh criterion; 2) provides a Munk–Hasselmann constituent selection criterion appropriate for superresolution; and 3) introduces an objective, time-variable form of inference (“dynamic inference”) based on time-varying data properties. CWT_Multi resolves tidal species on time scales of days, and multiple constituents per species with fortnightly filters. It outputs astronomical phase lags and admittances, analyzes multiple records, and provides power spectra of the signal(s), residual(s), and reconstruction(s); confidence limits; and signal-to-noise ratios. Artificial data and water levels from the Lower Columbia River Estuary (LCRE) and San Francisco Bay Delta (SFBD) are used to test CWT_Multi and compare it to harmonic analysis programs NS_Tide and UTide. CWT_Multi provides superior reconstruction, detiding, dynamic analysis utility, and time resolution of constituents (but with broader confidence limits). Dynamic inference resolves closely spaced constituents (like K 1 , S 1 , and P 1 ) on fortnightly time scales, quantifying impacts of diel power peaking (with a 24-h period, like S 1 ) on water levels in the LCRE. CWT_Multi also helps quantify the impacts of high flows and a salt barrier closing on tidal properties in the SFBD. On the other hand, CWT_Multi does not excel at prediction, and results depend on analysis details, as for any method applied to nonstationary data. Significance Statement Ocean tides, especially in coastal and estuarine systems, are often nonstationary, in the sense that the mean and standard deviation of tidal properties vary over time, usually in response to some nontidal process. We introduce here a MATLAB code, CWT_Multi, that uses wavelet transforms to resolve both tidal species and constituents on time scales from a few days to months. Our code accommodates multiple scalar time series and has typical tidal analysis features like constituent selection and inference, plus two forms of uncertainty analyses. It is flexible, allowing the user to adapt analysis properties to diverse datasets. CWT_Multi is applicable to many problems involving time-variable tides, including sea level rise, compound flooding, sediment transport, and wetland habitat analyses. Application to vector data is a straightforward extension, but further development of our uncertainty analysis is merited. Because nonstationary tidal analysis is rapidly advancing, we also define the features of a “well-formed” analysis code.

Lobo, Matthew↗