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At least 487 records · Page 27

Chain Flexibility and Structure of a Polyimide Copolymer: Revisiting the Freely Rotating Chain Model

Poly(4–4′-oxydiphenylene-pyromellitimide)-based polyimides─trade name Kapton─have wide-ranging engineering applications owing to their thermal and mechanical stability, but little is known about underlying chain-level characteristics. While theoretical models have conceptualized Kapton as inflexible polycyclic rods separated by freely rotating diphenyl ether hinge groups, the model’s core predictions remain untested and subtleties of the relaxation behavior are missed, which atomistic modeling can resolve. To these ends, we examine all-atom Kapton structures in crystalline and glassy amorphous configurations using a DFT-validated class II force field. Constructing amorphous configurations is challenging, as the fused-ring-containing backbone has slow relaxation dynamics and scaling suggestive of entanglements even in oligomers. In conclusion, we find larger backbone rearrangements of the linear polycyclic segments about ether groups that are consistent with the rod-hinge picture on the monomer scale, whereas a ring rotation analysis suggests partially flexible rod-like segments and involves multiple facile rotational relaxation modes.

Liesen, Nicholas T. [Lawrence Livermore National L↗

On-demand nanoengineering of in-plane ferroelectric topologies

Hierarchical assemblies of ferroelectric nanodomains, so-called super-domains, can exhibit exotic morphologies that lead to distinct behaviours. Controlling these super-domains reliably is critical for realizing states with desired functional properties. Here we reveal the super-switching mechanism by using a biased atomic force microscopy tip, that is, the switching of the in-plane super-domains, of a model ferroelectric Pb 0.6 Sr 0.4 TiO 3 . We demonstrate that the writing process is dominated by a super-domain nucleation and stabilization process. A complex scanning-probe trajectory enables on-demand formation of intricate centre-divergent, centre-convergent and flux-closure polar structures. Correlative piezoresponse force microscopy and optical spectroscopy confirm the topological nature and tunability of the emergent structures. The precise and versatile nanolithography in a ferroic material and the stability of the generated structures, also validated by phase-field modelling, suggests potential for reliable multi-state nanodevice architectures and, thereby, an alternative route for the creation of tunable topological structures for applications in neuromorphic circuits.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Ferroelectric Al1 − xBxN–GaN heterostructures

This report demonstrates Al0.93B0.7N thin films grown epitaxially on n-type GaN (0002)/c-plane sapphire substrates by reactive magnetron sputtering at 300 °C. At 200 nm film thickness, the Al0.93B0.07N layers exhibit partially relaxed substrate-induced epitaxial strain, a 0.16° wide (0002) rocking curve, in-plane crystallographic registry, and sub-nanometer surface roughness. Electrically, the stack shows robust hysteresis over three frequency decades, a remanent polarization of ∼125 μC/cm2, a strongly frequency dependent coercive field, highly uniform dc leakage currents, and endurance >106 field cycles. This report validates possibilities for ferroelectric nitride integration into conventional III-nitride heterostructures with high crystalline fidelity, high electrical resistivity, and persistent hysteresis. Such materials are synthesizable at thermal budgets and temperatures compatible with back-end-of-the-line boundary conditions.

Physics↗

Adversarial super-resolution of climatological wind and solar data

Accurate and high-resolution data reflecting different climate scenarios are vital for policy makers when deciding on the development of future energy resources, electrical infrastructure, transportation networks, agriculture, and many other societally important systems. However, state-of-the-art long-term global climate simulations are unable to resolve the spatiotemporal characteristics necessary for resource assessment or operational planning. We introduce an adversarial deep learning approach to super resolve wind velocity and solar irradiance outputs from global climate models to scales sufficient for renewable energy resource assessment. Using adversarial training to improve the physical and perceptual performance of our networks, we demonstrate up to a 50 × resolution enhancement of wind and solar data. In validation studies, the inferred fields are robust to input noise, possess the correct small-scale properties of atmospheric turbulent flow and solar irradiance, and retain consistency at large scales with coarse data. An additional advantage of our fully convolutional architecture is that it allows for training on small domains and evaluation on arbitrarily-sized inputs, including global scale. We conclude with a super-resolution study of renewable energy resources based on climate scenario data from the Intergovernmental Panel on Climate Change’s Fifth Assessment Report.

14 SOLAR ENERGY↗

Scalar-tensor mixing from icosahedral inflation

Abstract We study the mixed scalar-tensor two-point function in icosahedral inflation. Within the regime of validity of the effective field theory, this has to be perturbatively small; in particular, much smaller than the scalar spectrum. However, it can be much bigger that the tensor spectrum itself. We discuss observational implications for the CMB temperature-polarization spectrum.

Astronomy & Astrophysics↗

Elastic cross section is entanglement entropy

We present universal relations between entanglement entropy, which quantifies the quantum correlation between subsystems, and the cross section, which is the primary observable for high-energy particle scattering, by employing a careful formulation of wave packets for the incoming particles. For 2-to-2 elastic scattering with no initial entanglement and subdividing the system along particle labels, we show that both the Rényi and Tsallis entropies in the final states are directly proportional to the elastic cross section in units of the transverse size for the initial wave packets, which is then interpreted as the elastic scattering probability. The relations do not depend on the underlying dynamics of the quantum field theory and are valid to all orders in coupling strengths. Furthermore, computing quantum correlations between momentum and nonkinematic data leads to entanglement entropies expressed as various semi-inclusive elastic cross sections. Our result gives rise to a novel “area law” for entanglement entropy in a two-body system. Published by the American Physical Society 2025

Low, Ian (ORCID:0000000275709597)↗

Scaling laws for two-dimensional dendritic crystal growth in a narrow channel

Here, we investigate analytically and computationally the dynamics of two-dimensional needle crystal growth from the melt in a narrow channel. Our analytical theory predicts that, in the low supersaturation limit, the growth velocity $\textit{V}$ decreases in time $\textit{t}$ as a power law $V ~t^{–2/3}$, which we validate by phase-field and dendritic-needle-network simulations. Simulations further reveal that, above a critical channel width $Λ ≈ 5l_D$, where $l_D$ is the diffusion length, needle crystals grow with a constant $V < V_s$, where $V_s$ is the free-growth needle crystal velocity, and approaches $V_s$ in the limit $Λ \gg l_D$.

36 MATERIALS SCIENCE↗

Probing the Critical Nucleus Size in the Metal-Insulator Phase Transition of VO 2

In a first-order phase transition, critical nucleus size governs nucleation kinetics, but the direct experimental test of the theory and determination of the critical nucleation size have been achieved only recently in the case of ice formation in supercooled water. The widely known metal-insulator phase transition (MIT) in strongly correlated VO 2 is a first-order electronic phase transition coupled with a solid-solid structural transformation. It is unclear whether classical nucleation theory applies in such a complex case. Here we directly measure the critical nucleus size of the MIT by introducing size-controlled nanoscale nucleation seeds with focused ion irradiation at the surface of a deeply supercooled metal phase of VO 2 . The results compare favorably with classical nucleation theory and are further explained by phase-field modeling. This Letter validates the application of classical nucleation theory as a parametrizable model to describe phase transitions of strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Data for Soil Oxygen Dynamics: A Key Mediator of Tile Drainage Impacts on Coupled Hydrological, Biogeochemical, and Crop Systems

Tile drainage removes excess water and is an essential, widely adopted management practice to enhance crop productivity in the US Midwest and throughout the world. Tile drainage has been shown to significantly change hydrological and biogeochemical cycles by lowering the water table and reducing the residence time of soil water, although examining the complex interactions and feedbacks in an integrated hydrology–biogeochemistry–crop system remains elusive. Oxygen dynamics are critical to unraveling these interactions and have been ignored or oversimplified in existing models. Understanding these impacts is essential, particularly so because tile drainage has been highlighted as an adaptation under projected wetter springs and drier summers in the changing climate in the US Midwest. We used the ecosys model that uniquely incorporates first-principle soil oxygen dynamics and crop oxygen uptake mechanisms to quantify the impacts of tile drainage on hydrological and biogeochemical cycles and crop growth in corn–soybean rotation fields. The model was validated with data from a multi-treatment, multi-year experiment in Washington, IA. The relative root mean square error (rRMSE) for the corn and soybean yield in validation is 5.66 % and 12.57 %, respectively. The Pearson coefficient (r) of the monthly tile flow during the growing season is 0.78. Plant oxygen stress turns out as an emergent property of the equilibrium between the soil oxygen supply and biological demand. The impact of tile drainage on the system is achieved through a series of coupled feedback mechanisms. The model results show that tile drainage reduces the soil water content and enhances soil oxygenation. It additionally increases the subsurface discharge and elevates inorganic nitrogen leaching, with seasonal variations influenced by climate and crop phenology. The improved aerobic condition alleviates crop oxygen stress during wet springs, thereby promoting crop root growth during the early growth stage. The development of greater root density, in turn, mitigates water stress during dry summers, leading to an overall increase in the crop yield by ∼6 %. These functions indicate the potential of tile drainage in bolstering crop resilience to climate change and the use of this modeling tool for large-scale assessments of tile drainage. The model reveals the underlying causal mechanisms that drive the agroecosystem response to drainage on the coupled hydrology, biogeochemistry, and crop system dynamics.

Modeling↗

Total internal reflection enabled wide-field coherent anti-Stokes Raman scattering microscopy

Wide-field coherent anti-Stokes Raman scattering (CARS) microscopy offers an attractive means for the rapid and simultaneous acquisition of vibrationally resolved images across a large field of view. A major challenge in the implementation lies in how to achieve sufficiently strong excitation fields necessary to drive the third-order optical responses over the large focal region. Here, we report a new wide-field CARS microscope enabled by a total internal reflection excitation scheme using a femtosecond Ti:Sapphire oscillator to generate pump and broadband near-infrared Stokes pulses. The spectrally broad Stokes pulse, in combination with its inherent chirp, offers not only access to a wide range of Raman modes spanning ∼ <#comment/> 1000 to ∼ <#comment/> 3500 c m − <#comment/> 1 but also a straightforward means to select vibrational transitions within this range by simply varying the time delay between the pulses. The unique capabilities of this wide-field CARS microscope were validated by acquiring high-quality CARS images from the model and complex biological samples on conventional microscope coverslips.

Doughty, Benjamin (ORCID:0000000164299329)↗

Total internal reflection enabled wide-field coherent anti-Stokes Raman scattering microscopy

Wide-field coherent anti-Stokes Raman scattering (CARS) microscopy offers an attractive means for the rapid and simultaneous acquisition of vibrationally resolved images across a large field of view. A major challenge in the implementation lies in how to achieve sufficiently strong excitation fields necessary to drive the third-order optical responses over the large focal region. Here, we report a new wide-field CARS microscope enabled by a total internal reflection excitation scheme using a femtosecond Ti:Sapphire oscillator to generate pump and broadband near-infrared Stokes pulses. The spectrally broad Stokes pulse, in combination with its inherent chirp, offers not only access to a wide range of Raman modes spanning ${\sim}{1000}$ to ${\sim}{3500}\;{{\rm cm}^{- 1}}$ but also a straightforward means to select vibrational transitions within this range by simply varying the time delay between the pulses. The unique capabilities of this wide-field CARS microscope were validated by acquiring high-quality CARS images from the model and complex biological samples on conventional microscope coverslips.

36 MATERIALS SCIENCE↗

Operationalizing Synchrophasors for Enhanced Grid Reliability and Asset Utilization

The report discusses the development of production-grade synchrophasor software applications. The objective is to improve system reliability and asset utilization for offline as well as real-time considerations, as per the Department of Energy (DOE) guidelines specified by Funding Opportunity Announcement (FOA) DE-FOA-0001492. On the one hand, we have developed grid management applications on how to transform synchrophasor-based monitoring into operator guidance, and commercial grade tools addressing industry needs such as NERC Reliability Standards (MOD 26, MOD 27 and MOD 33). On the other hand, with the wide industrial adoption in mind, the developed applications have been fully discussed with utility partners and installed in the utility partners site including 6 field tests. The Model Validation and Calibration software module has been integrated into GE’s PhasorAnalyticsTM. The first commercial contract has been signed even before the close date of this project. The Angle-based Grid Management (AGM), Fast Voltage Security Assessment (FastVSA), Enhanced Islanding Monitoring(EIM) and Enhanced Disturbance Management (EDM) have been integrated into GE’s Grid Stability Assessment line of applications in e-terra Suite of EMS product.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Trait Vs. Skill: Individual Differences -- Survey Questions

This document is UUR survey questions for use in an exploratory express LDRD experiment. The purpose of the study is to understand if people overestimate their performance only in some situations or some people are more prone to it do to an underlying trait. To investigate our aims, we must use 3 experimental tasks: two domain general (an English grammar task a logic task) and a domain specific task (a science & technology questionnaire). The reason we are using these tasks is to see if people overestimate their abilities on tasks they are more familiar with (grammar and logic) but not on domains in which they are more specialized (science and technology). To understand the traits and characteristics of our participants, we are using 7 well-validated assessments from the field of psychology. All questionnaires are available for research and teaching purposes. Citations for all materials have been included.

99 GENERAL AND MISCELLANEOUS↗

Community Resilience Indicator Analysis: Commonly Used Indicators from Peer-Reviewed Research (Updated for Research Published 2003-2021)

In 2017, FEMA’s National Integration Center (NIC) Technical Assistance (TA) Branch identified a need to establish a data-driven basis for prioritizing locations for TA investment and guiding local emergency management planning. To achieve this goal, FEMA tasked Argonne National Laboratory (Argonne) with identifying commonly used indicators of community resilience across the landscape of published peer-reviewed research. FEMA and Argonne completed the first Community Resilience Indicator Analysis (CRIA) in 2018 and repeated the process in 2022. The CRIA process begins with a literature review and cataloguing of published peer-reviewed assessment methodologies on social vulnerability and community resilience. The literature review findings are then filtered by inclusion criteria established by the CRIA research team to ensure the methodologies are: (1) Quantitative, (2) Data and methodology are publicly available, (3) Calculated at the county level or lower, (4) Examine generalized hazard risk (rather than a singular hazard), and (5) Focused on pre-disaster community conditions. After this, the research team identifies the commonly used indicators across these methodologies and selects the best data source for each indicator. Finally, the research team bins the data for visual display, conducts a correlation analysis and creates a composite index, the FEMA Community Resilience Index (FEMA CRI). In 2018, the CRIA identified eight resilience and vulnerability assessment methodologies and 20 commonly used indicators (indicators used in three or more of the eight methodologies). The FEMA CRI in 2018 was created from these 20 indicators and was produced for at the county level. The 2022 CRIA updated the literature review to expand the list of methodologies examined and followed the same process, resulting in an analysis of 14 methodologies published between 2003 and 2021 and 22 indicators identified as commonly used (indicators used in five or more of the 14 methodologies). In 2022, the research team produced the FEMA CRI at the county and the census tract levels. To make the CRIA data more accessible and more actionable, each individual indicator and the FEMA CRI is binned and included in FEMA’s Resilience Analysis and Planning Tool (RAPT). RAPT enables emergency managers and community partners to quickly visualize relative differences in potential resilience by county, tribe and census tract. By reviewing the data for each of these 22 indicators individually, emergency managers can gain insights for targeted outreach strategies, planning, mitigation investments and response and recovery operations. Communities, regional governments and others can use this data to better understand potential challenges to resilience. As the social science field of examining and validating indicators of resilience evolves, FEMA will update RAPT to provide emergency managers and community partners with additional data and tools to inform planning, mitigation, response and recovery. It is important to understand that the role of the emergency manager is not to change or to “improve” the data, but to plan appropriately for the community characteristics reflected in the data. These datasets are community characteristics that researchers have identified as important considerations for resilience. For example, people with disabilities may have greater challenges to be resilient to disasters. If a community has a high population of people with disabilities, the emergency manager(s) may need to create tailored preparedness outreach programs and strategies to ensure those residents have support if evacuation is necessary. Rather than label these indicators as an absolute measure of resilience, FEMA considers “potential challenges to resilience” a better frame to understand these indicators. Everyone is vulnerable to disasters. While scholars theorize that certain characteristics may make an individual or a household more socially vulnerable, the data does not reflect measures that individuals and/or communities have taken to address potential challenges, such as emergency management planning and outreach or household preparedness measures. To aid emergency managers in understanding how to use these indicators, calling them potential challenges to resilience supports a more positive and strategic application of the data in all phases of emergency management.

99 GENERAL AND MISCELLANEOUS↗

Development of Low-Cost, High-Performance, Easy-To-Apply, Non-Flammable, Inorganic Phase Change Material (PCM) Technology (Project Final Report)

This report describes a 45-months long research program focused on the development of novel, easy-to-apply, non-flammable, and high-performance inorganic phase change materials (PCMs) for building and industrial applications. The University of Massachusetts Lowell (UML) formed a world-class team consisting of researchers form InsolCorp (only N. American manufacturer of inorganic PCM systems for building applications), and a group of industrial advisors, to develop a universal/multipurpose, simple-to-manufacture and cost-effective PCM technology. The project team expects that the results of this work will spur in the future the adoption of thermal storage materials – a key building energy saving technology as identified by DOE BTO – for a variety of building envelope applications. The main goal of this project was to demonstrate a suite of low-cost, multipurpose, and durable inorganic PCM formulations with phase transition temperatures encompassing typical building applications (between +5 o C and +55 o C). The first objective was to design, fabricate, and experimentally validate a performance of inexpensive, durable, highly efficient, non-flammable, and easy to manufacture PCMs. To allow a variety of building applications, the project team focused on formulations that exhibit repeatable phase transitions between +5 o C and +55 o C. To follow the DOE BTO cost efficiency target without compromising thermal performance, our work was based on inorganic compounds (mostly salt hydrates) and their blends, which represent a fraction of the cost of most of organic PCMs with about twice as high density as well as significantly higher thermal conductivity and phase change enthalpy. The second objective was to develop easy-to-manufacture and -install packaging/encapsulation designs that are 1) a superior barrier to current state-of-the-art macro-packaging, which significantly reduces the risk of loss of hydration water and PCM leak, and 2) optimal in enhancing the heat exchange rates with the surroundings and within the PCM core to ensure complete charging/discharging of the entire PCM within the product. Finally, the project’s intend was to scale-up the fabrication process to demonstrate installation on system-scale applications, and to validate the performance under field conditions. This work aimed at developing low-cost, high-energy storage, and reliable latent heat storage technology for building applications. This development was realized by formulating and integrating the following two technology components: 1) inorganic salt hydrate based PCMs that have high latent enthalpies and are low-cost and durable, and 2) PCM encapsulation (packaging) technology that maximizes PCM concentration and enhances heat transport characteristics in the product and with the external environment/materials. High thermal storage capacity, low cost and fire resistance are key to the building market entry for PCM technology. Therefore, the project’s focus was on salt-hydrate-based formulations which satisfy all these criteria. Packaging and/or encapsulation of PCM is a key processing step. The project team recognized that a low-cost and simple-to-manufacture salt hydrate-based PCM technology holds the best chance to be successful in the building construction market, a market which is traditionally extremely sensitive to cost and where commodity thermal insulations are the benchmark for envelope-related energy saving measures. That is why, in this project, the main intention was to minimize the production cost and maximize the product energy storage density without sacrificing the PCM performance. It was achieved through: 1. Minimizing the non-PCM components (plastics, additives, packaging/encapsulation materials, etc.) because they are significantly more expensive than salt hydrates, 2. Using highly thermally conductive and lightweight PCM carrier (packaging material) to facilitate more complete phase cycling, and 3. Optimizing the thickness and minimizing air spaces in product design (such as in pouched PCM). For this purpose, our approach was to enable an easy system design, including selection of the PCM operating temperatures, optimizing the necessary heat storage capacity (by stacking together several layers of PCM products), and if needed, a synchronized usage of PCM products of different temperatures. A specially designed, robust, highly thermally conducting and highly impermeable packaging (to retain salt hydrate water during phase transition cycles) was designed and tested to increase the overall system thermal performance and durability. All PCM products developed during this project were tested in both lab scale and in full scale field conditions. It is expected that, after further developments and commercialization, the developed PCM technologies may be also applied in space conditioning, energy storage technologies, and heat transfer applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Williston Basin Resource Study for Commercial-Scale Subsurface Hydrogen Storage

The Energy & Environmental Research Center (EERC), in partnership with the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL), the EERC’s State Energy Research Center (SERC), MPLX Operations LLC, and TC Energy Development Holdings Inc. (a subsidiary of TC Energy Corporation), studied the potential for subsurface hydrogen storage and recovery in the Williston Basin of western North Dakota. The project’s goal was to evaluate the feasibility of large-scale, secure geologic H 2 storage to support future hydrogen generation, storage, and use. This work included laboratory testing, H 2 –rock–fluid exposure experiments, literature reviews on H 2 embrittlement, and reservoir modeling and simulations. The study included an assessment of storage potential across three types of storage reservoirs using both reservoir simulation and DOE’s web-based tool SHASTA-HELP (Subsurface Hydrogen Assessment, Storage, and Technology Acceleration – Hydrogen Estimator for Logistical Planning), as well as investigation of potential H 2 production and markets for commercial-scale deployment. Building on prior EERC gas storage research, three storage options were selected for detailed evaluation: the Broom Creek Formation (a clastic saline reservoir), the Dickinson Lodgepole Mounds (DLM) complex (carbonate mud mound structures) of the Lodgepole Formation (an active oil and gas producing reservoir), and the Dunham Salt Interval of the Piper Formation (to be used for engineered salt cavern development). These targets were prioritized based on prior EERC research using datasets related to seal capacity, reservoir quality, mechanical integrity, and injectivity. Exposure tests on Broom Creek and DLM samples showed mineral dissolution and precipitation that increased brine salinity and altered reservoir rock surfaces. Although these results provide useful insight, they are limited by small sample sizes and short-term (30-day) exposure, requiring further study to assess long-term storage integrity. Salt formations were not tested because of their known nonreactivity and established mechanical stability. Results of reservoir simulations performed for a single site demonstrated that the Broom Creek Formation may be capable of receiving up to 42,000 tonnes of injected H 2 over 7 months via one well. H 2 recovery took place over 5 months, resulting in approximately 26,000 tonnes (~62% without cushion gas [CG]). This work suggests water production may be important and subsequent cycles of injection and production may perform more efficiently; however, significant site-specific work in the future is needed to assess actual reservoir performance of injection and withdrawal of H 2 storage. For oil reservoir potential, a multiple-well model was used to simulate injection of approximately 32,000 tonnes of H 2 into a single wellbore while simultaneously producing in place reservoir fluids from four offset wells to maintain reservoir pressure. The simulation results suggested a high recovery (~98%); in addition, cost advantages through existing infrastructure could be realized. Challenges in this reservoir include vi managing gas purity and leakage risks. In both scenarios, production of H 2 takes place in a single-well scenario with 10 cycles (7 months of injection and 5 months of production) over 10 years. Finally, the use of engineered caverns in the Dunhan Salt was evaluated, and the results suggest that while they have a smaller capacity (<1000 tonnes per cavern), they exhibit nearly complete gas recovery (>99%), fast response times, and low purity risk. While caverns in North Dakota may be smaller in capacity, fields can be developed in galleries to accommodate the volumetric needs and rapid turnaround times necessary to meet market demands. Geographic limitations and thin salt intervals in North Dakota may represent less total storage potential than salt domes elsewhere, but significant opportunities exist to expand this market for gas storage in North Dakota. A basinwide assessment was performed to estimate a first-of-its-kind value for H 2 storage on a large scale. DOE’s SHASTA-HELP, combined with EERC simulation work, was used to perform the assessment. Estimated H 2 storage potential varied widely for each formation type. The Broom Creek saline formation was estimated to have a storage potential of approximately 1.7–90.5 million tonnes (MMt). The DLM oil reservoirs were estimated to have 0.07–0.19 MMt of capacity. Notably, each of these estimates relies on significant assumptions regarding reservoir thickness, porosity, permeability, and CG needed for operation. Much research is needed to understand the true site-specific storage resource potential of each formation. Using the Dunham Salt Interval for cavern development may result in as much as 4.79 MMt (up to 2.87 MMt working gas) of H 2 storage potential. An important note for consideration is that the values presented here need significantly more geological characterization and engineering assessments prior to gaining confidence in performance. This will be a focal point for future research and development needs. The basinwide evaluation also indicated that North Dakota has significant H 2 generation potential, with estimates up to a possible 13 MMt annually, suggesting a substantial opportunity for H 2 market development and thus the need for commercial-scale H 2 storage to facilitate growth and resilience. Key Recommendations 1. Conduct detailed site characterization (3D seismic, well logs, core sampling) to reduce geologic uncertainty. 2. Perform techno-economic analyses incorporating market, regulatory, and incentive frameworks. 3. Investigate long-term interactions among H 2 , CGs, well materials, and formations to assess risks. 4. Develop pilot- and field-scale demonstrations to validate models and establish best practices.

03 NATURAL GAS↗

Soil oxygen dynamics: a key mediator of tile drainage impacts on coupled hydrological, biogeochemical, and crop systems

Tile drainage removes excess water and is an essential, widely adopted management practice to enhance crop productivity in the US Midwest and throughout the world. Tile drainage has been shown to significantly change hydrological and biogeochemical cycles by lowering the water table and reducing the residence time of soil water, although examining the complex interactions and feedbacks in an integrated hydrology–biogeochemistry–crop system remains elusive. Oxygen dynamics are critical to unraveling these interactions and have been ignored or oversimplified in existing models. Understanding these impacts is essential, particularly so because tile drainage has been highlighted as an adaptation under projected wetter springs and drier summers in the changing climate in the US Midwest. We used the ecosys model that uniquely incorporates first-principle soil oxygen dynamics and crop oxygen uptake mechanisms to quantify the impacts of tile drainage on hydrological and biogeochemical cycles and crop growth in corn–soybean rotation fields. The model was validated with data from a multi-treatment, multi-year experiment in Washington, IA. The relative root mean square error (rRMSE) for the corn and soybean yield in validation is 5.66 % and 12.57 %, respectively. The Pearson coefficient (r) of the monthly tile flow during the growing season is 0.78. Plant oxygen stress turns out as an emergent property of the equilibrium between the soil oxygen supply and biological demand. The impact of tile drainage on the system is achieved through a series of coupled feedback mechanisms. The model results show that tile drainage reduces the soil water content and enhances soil oxygenation. It additionally increases the subsurface discharge and elevates inorganic nitrogen leaching, with seasonal variations influenced by climate and crop phenology. The improved aerobic condition alleviates crop oxygen stress during wet springs, thereby promoting crop root growth during the early growth stage. The development of greater root density, in turn, mitigates water stress during dry summers, leading to an overall increase in the crop yield by ∼6 %. These functions indicate the potential of tile drainage in bolstering crop resilience to climate change and the use of this modeling tool for large-scale assessments of tile drainage. The model reveals the underlying causal mechanisms that drive the agroecosystem response to drainage on the coupled hydrology, biogeochemistry, and crop system dynamics.

60 APPLIED LIFE SCIENCES↗

New insights into the drainage of inundated ice-wedge polygons using fundamental hydrologic principles

Abstract. The pathways and timing of drainage from the inundated centers of ice-wedge polygons in a warming climate have important implications for carbon flushing, advective heat transport, and transitions from methane to carbon dioxide dominated emissions. Here, we expand on previous research using a recently developed analytical model of drainage from a low-centered polygon. Specifically, we perform (1) a calibration to field data identifying necessary model refinements and (2) a rigorous model sensitivity analysis that expands on previously published indications of polygon drainage characteristics. This research provides intuition on inundated polygon drainage by presenting the first in-depth analysis of drainage within a polygon based on hydrogeological first principles. We verify a recently developed analytical solution of polygon drainage through a calibration to a season of field measurements. Due to the parsimony of the model, providing the potential that it could fail, we identify the minimum necessary refinements that allow the model to match water levels measured in a low-centered polygon. We find that (1) the measured precipitation must be increased by a factor of around 2.2, and (2) the vertical soil hydraulic conductivity must decrease with increasing thaw depth. Model refinement (1) accounts for runoff from rims into the ice-wedge polygon pond during precipitation events and possible rain gauge undercatch, while refinement (2) accounts for the decreasing permeability of deeper soil layers. The calibration to field measurements supports the validity of the model, indicating that it is able to represent ice-wedge polygon drainage dynamics. We then use the analytical solution in non-dimensional form to provide a baseline for the effects of polygon aspect ratios (radius to thaw depth) and coefficient of hydraulic conductivity anisotropy (horizontal to vertical hydraulic conductivity) on drainage pathways and temporal depletion of ponded water from inundated ice-wedge polygon centers. By varying the polygon aspect ratio, we evaluate the relative effect of polygon size (width), inter-annual increases in active-layer thickness, and seasonal increases in thaw depth on drainage. The results of our sensitivity analysis rigorously confirm a previous analysis indicating that most drainage through the active layer occurs along an annular region of the polygon center near the rims. This has important implications for transport of nutrients (such as dissolved organic carbon) and advection of heat towards ice-wedge tops. We also provide a comprehensive investigation of the effect of polygon aspect ratio and anisotropy on drainage timing and patterns, expanding on previously published research. Our results indicate that polygons with large aspect ratios and high anisotropy will have the most distributed drainage, while polygons with large aspect ratios and low anisotropy will have their drainage most focused near their periphery and will drain most slowly. Polygons with small aspect ratios and high anisotropy will drain most quickly. These results, based on parametric investigation of idealized scenarios, provide a baseline for further research considering the geometric and hydraulic complexities of ice-wedge polygons.

Harp, Dylan R. (ORCID:0000000197778000)↗