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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16

Controlled expansion for pairing in a polarized band with strong repulsion

Can strong repulsive interactions be shown to give rise to pairing in a controlled way? We find that for a single flavor polarized band, there is a small expansion parameter in the low density limit, once the Bloch wavefunction form factor is taken into account. A perturbative expansion is possible, even if the interaction is much stronger than the Fermi energy ε F . As a matter of principle, our work shows analytically how strong pairing can emerge from strong repulsion. Here, we illustrate our method with two examples: a 2D Dirac model and a 1D tight binding model with two orbitals. In the latter case, using density matrix renormalization group, we show that the analytical theory indeed guided us to discover the parameter regime where p-wave pairing with order-1 strength is dominant.

Ferromagnetic superconductors↗

Transmission Interface Limits for High-Spatial Resolution Capacity Expansion Modeling

Large-scale capacity expansion models typically rely on estimates of the power transfer limits between modeled zones. Accurate estimation of these interface transfer limits (ITLs) requires modeling the underlying transmission network. Here we expand on a maximum flow optimization method that uses linearized power flow to estimate transfer limits. We apply this method to a data set of the U.S. transmission network to estimate ITLs between U.S. counties. By calculating ITLs using different subsets of the network, we evaluate how the size of the network used in the estimation affects the results. The results show diminishing returns to ITL accuracy after six hops, suggesting that a network subset can reasonably be used to approximate ITLs. The county-level estimates produced in this study will support more spatially resolved capacity expansion modeling and will help inform policy making at local and national levels.

capacity planning↗

Taylor-Expansion-Based Robust Power Flow in Unbalanced Distribution Systems: A Hybrid Data-Aided Method

Traditional power flow methods often adopt certain assumptions designed for passive balanced distribution systems, thus lacking practicality for unbalanced operation. moreover, their computation accuracy and efficiency are heavily subject to unknown errors and bad data in measurements or prediction data of distributed energy resources (ders). to address these issues, this paper proposes a hybrid data-aided robust power flow algorithm in unbalanced distribution systems, which combines taylor series expansion knowledge with a data-driven regression technique. the proposed method initiates a linearization power flow model to derive an explicitly analytical solution by modified taylor expansion. to mitigate the approximation loss that surges due to the der integration and bad data, we further develop a data-aided robust support vector regression approach to estimate the errors efficiently. comparative analysis in the 13-bus and 123-bus ieee unbalanced feeders shows that the proposed hybrid algorithm achieves superior computational efficiency, with guaranteed accuracy and robustness against outliers.

data-driven↗

Bi-Level Adaptive Storage Expansion Strategy for Microgrids Using Deep Reinforcement Learning

Battery energy storage (BES) is a versatile resource for the secure and economic operation of microgrids (MGs). Prevailing stochastic optimization-based approaches for BES expansion planning for MGs are computationally complicated. This work proposes a data-driven bi-level multi-period BES expansion planning framework to determine the siting, sizing, and timing of BES installations. The proposed planning framework unifies deep reinforcement learning (DRL) and linear programming, thereby decoupling the determinations for the integer and continuous decision variables in two time scales, respectively. In the upper level, a rainbow DRL agent with quantile regression is trained to provide dynamic planning policies to accommodate stochastic renewable energy resources (RESs), load, and battery price changes efficiently. Further, the lower level computes the optimal operation of MGs with frequency constraints to hedge the islanding contingency. The two levels communicate with one another by exchanging storage configuration and operating expenses in order to accomplish the shared goal of minimizing investment and operation costs. Comparative case studies on an MG are carried out to demonstrate the superiority of the proposed DRL-based solution to the mixed-integer linear programming counterpart on efficiency, scalability, and adaptability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The Carbon Budget of Land Conversion: Sugarcane Expansion and Implications for a Sustainable Bioenergy Landscape in Southeastern United States

The expansion of sugarcane onto land currently occupied by improved (IMP) and semi-native (SN) pastures will reshape the U.S. bioenergy landscape. We combined biometric, ground-based and eddy covariance methods to investigate the impact of sugarcane expansion across subtropical Florida on the carbon (C) budget over a 3-year rotation. With 2.3- and 5.1-fold increase in productivity over IMP and SN pastures, sugarcane displayed a C use efficiency (CUE; i.e., fraction of gross C uptake allocated to plant growth) of 0.59, well above that of pastures (0.31–0.23). Sugarcane also had greater C allocation to aboveground productivity and hence, harvestable biomass relative to IMP and SN. Cane heterotrophic respiration over the 3-year rotation (903 ± 335 gC m −2 year −1 ) was 1% and 14% higher than IMP and SN pastures, respectively. These soil C losses responded largely to disturbance over the first year after conversion (1510 ± 227 gC m −2 year −1 ) but declined in subsequent years to an average 599 ± 90 gC m −2 year −1 —well below those of IMP (933 ± 140 gC m −2 year −1 ) and SN (759 ± 114 gC m −2 year −1 ) pastures—despite a significant 40%–61% increase in soil C inputs. Soil C inputs, however, shifted from root-dominated in pastures to litter-dominated in sugarcane, with only 5% C allocation to roots. Reduced decomposition rates in sugarcane were likely driven by changes in the recalcitrance and distribution rather than the size of the newly incorporated soil C pool. As a result, we observed a rapid shift in the net ecosystem C balance (NECB) of sugarcane from a large source immediately following conversion to approaching the net C losses of IMP pastures only 2 years after conversion. The environmental cost of converting pasture to sugarcane underscores the importance of implementing management practices to harness the soil C storage potential of sugarcane in advancing a sustainable bioeconomy in Southeastern United States.

09 BIOMASS FUELS↗

Understanding early HIV-1 rebound dynamics following antiretroviral therapy interruption: The importance of effector cell expansion

Most people living with HIV-1 experience rapid viral rebound once antiretroviral therapy is interrupted; however, a small fraction remain in viral remission for an extended duration. Understanding the factors that determine whether viral rebound is likely after treatment interruption can enable the development of optimal treatment regimens and therapeutic interventions to potentially achieve a functional cure for HIV-1. We built upon the theoretical framework proposed by Conway and Perelson to construct dynamic models of virus-immune interactions to study factors that influence viral rebound dynamics. We evaluated these models using viral load data from 24 individuals following antiretroviral therapy interruption. The best-performing model accurately captures the heterogeneity of viral dynamics and highlights the importance of the effector cell expansion rate. Our results show that post-treatment controllers and non-controllers can be distinguished based on the effector cell expansion rate in our models. Furthermore, these results demonstrate the potential of using dynamic models incorporating an effector cell response to understand early viral rebound dynamics post-antiretroviral therapy interruption.

60 APPLIED LIFE SCIENCES↗

Shrub Expansion Simulations at Trail Valley Creek Tundra site using E3SM Land Model (ELM) Arctic-focused Version

The warming of the Arctic is causing substantial compositional, structural, and functional changes in tundra vegetation including shrub and densification in parts of the Arctic. Assessing the impact of these changes in vegetation composition on the Arctic’s carbon and energy budgets is important to constrain projected local and global surface-atmosphere exchanges. We conduct a sensitivity analysis of the projected surface energy fluxes, soil carbon pools, and carbon dioxide fluxes (net ecosystem exchange, gross primary production, and ecosystem respiration) between present day and 2100 to different shrub expansion rates and air temperature increases under future emission scenarios (intermediate – RCP4.5, and high – RCP8.5) using the Arctic-focused version of the Energy Exascale Earth System Model (E3SM) Land Model (ELM). We focus on Trail Valley Creek (TVC), a mineral upland tundra site located in the western Canadian Arctic, which is experiencing tall shrub densification and expansion. In this study, we run TVC under two different warming scenarios RCP4.5 and RCP 8.5 and simulate different shrubification rates projected until year 2100. In this repository, we include all the forcing, input, parameters, and output data corresponding to all the simulations performed. flmd.csv includes a detailed description of the datasets files.

54 ENVIRONMENTAL SCIENCES↗

Arctic Shrub Expansion, Plant Functional Trait Variation, and Effects on Belowground Carbon Cycling (Final Technical Report)

Terrestrial ecosystems are undergoing dramatic changes in response to climate warming, and these changes are expected to feedback to the atmosphere, potentially altering the trajectory of future climate change. Feedbacks from Arctic ecosystems are a major concern because the Arctic is projected to warm significantly in the 21 st century and because >50% of global belowground organic carbon is stored in permafrost and overlying soils. Warming-driven release of this carbon could drastically increase atmospheric greenhouse gas concentrations and accelerate climate warming. Plant communities are also responding to warming, as evidenced by the widely documented increase in woody-shrub growth and “greening” across much of the Arctic tundra biome. This vegetation shift may offset or amplify warming by altering carbon cycling. The direction and magnitude of shrub effects remain highly uncertain, however, due to limited understanding of the consequences of shrub expansion for belowground carbon cycling and simplification of these relationships in models. The major shrubs expanding in the Arctic (Betula, Salix, and Alnus) vary widely with respect to aboveground and belowground traits (e.g., tissue production and chemistry, rooting depth, microbial symbionts), and may also exhibit substantial intraspecific variation in these traits in response to environmental conditions. Such variation is likely to have profound implications for soil carbon cycling. The overarching goal of this project was to improve process-based understanding of the influence of shrub expansion on carbon cycling to enable improved representation of carbon dynamics in ecosystem and Earth system models. We investigated how plant functional traits vary among shrub genera, respond to environmental conditions, and affect belowground carbon and nutrient cycling by quantifying relationships among functional traits and biogeochemical cycling along edaphic gradients nested within a climate gradient in the Alaskan tundra. We found consistent differences in leaf and root traits among shrub genera and between shrubs and a widespread sedge species, indicating diverse nutrient acquisition strategies and belowground impacts among different arctic shrubs. We also found striking differences in trait values among individuals within the same species or genera within sites. Soil parameters were more important than climate parameters for predicting size and leaf trait variation, and root trait responses were less dependent on climate overall. For all but one root trait, including parameters representing aboveground traits improved the predictive ability of models. These results demonstrate that tundra shrub traits vary considerably at local scales and soil factors drive this variation, especially belowground. Furthermore, leveraging information about aboveground traits and soil conditions can improve predictions of how belowground traits will respond to climate change. Despite these differences, soil carbon and nitrogen pools in the active layer did not vary among plots dominated by different shrub or sedge genera. Instead, pool sizes generally decreased from warmer to colder sites, consistent with a productivity gradient. Patterns of isotopic N composition indicate that shrubs tighten nitrogen cycling via nitrogen resorption or immobilization of shrub litter. Overall, these results suggest that further identifying the specific shrub genera in the tundra landscape will ultimately provide better predictions of belowground dynamics across the changing arctic. We also performed simulation experiments with the Terrestrial Ecosystem Model (TEM) incorporated in the Predictive Ecosystem Analyzer (PEcAn) framework, treats model parameters as probability distributions, estimates parameters based on a synthesis of available field data, and then quantifies both model sensitivity and uncertainty to a given parameter or suite of parameters. We performed simulations across different types of tundra, including shrub tundra. One key finding was that both model sensitivity and uncertainty to a given parameter could vary within the same type of tundra, but in a different geographical location, such as over the climate gradient of shrub tundra described above. We organized a special session at the annual meeting of the Ecological Society of America in August 2019 to disseminate our results, refine recommendations for model improvement, and initiate collaborations to implement these recommendations in existing models of tundra carbon dynamics at ecosystem to Earth system scales. Our results support DOE near-term priorities by providing mechanistic insights into the role of vegetation change in the terrestrial carbon cycle in a region that is inadequately represented in Earth system models. Current models reduce the complexity of Arctic vegetation to a small number of plant functional types (PFTs). This approach implicitly assumes that each PFT represents the average ecological function of its constituent species, thus ignoring the effects of trait variation on biogeochemical cycling and potentially leading to large uncertainty in the sign and magnitude of ecosystem feedbacks to climate. By quantifying variation of plant functional traits across broad gradients of climatic and edaphic conditions and elucidating the linkages of such variation with carbon and nutrient cycling, our results illustrate the need and create a foundation for further developing trait-based modeling approaches that allow the traits of PFTs to vary as a function of environmental conditions. These approaches should improve the capacity of simulation models to offer insights into ecosystem carbon dynamics associated with novel plant communities in a rapidly changing Arctic.

54 ENVIRONMENTAL SCIENCES↗

Asymptotic Expansion of the Impedance Per Unit Length for Rectangular Conductors

An iteration method is introduced to obtain the asymptotic form of the impedance per unit length of a rectangular conductor when the half side lengths are large compared to the skin depth. The first terms of the asymptotic expansion are extracted in closed form. The manner in which the corner corrections fit into the expansion are illustrated. The asymptotic results are compared to a numerical solution in the square limit. The odd corner correction for a right angle edge is also discussed.

42 ENGINEERING↗

The linear thermal expansion of 11 polymers from approximately -100 to +100°C

The linear coefficient of thermal expansion has been measured for 11 polymers from approximately -100 to +100°C. The polymers tested were poly(tetrafluoroethylene) (PTFE), poly(chlorotrifluoroethylene) (PCTFE), three polyethylenes; high density (HDPE), ultra-high molecular weight (UHMWPE) and cross-linked (XPE). The commercial fluoropolymers Kel-F 800 (also known as FK-800®) and THV 500®were tested together with samples of poly(ether ether ketone) (PEEK), poly(methyl methyl methacrylate) (PMMA), polycarbonate (PC) and poly(vinylidene fluoride) (PVDF). Polynomial fits were made to the data over appropriate ranges allowing the expansivity (α) to be estimated.

36 MATERIALS SCIENCE↗

Shadow molecular dynamics and atomic cluster expansions for flexible charge models

A shadow molecular dynamics scheme for flexible charge models is presented, where the shadow Born-Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, are modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born-Oppenheimer molecular dynamics (BOMD) [Eur. Phys. J. B 94, 164 (2021)]. XL-BOMD provides a stable dynamics, while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using the atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO2) and a molecular system of liquid water. The combined ACE + XL-QEq dynamics are stable over a wide range of temperatures both for the oxide and the molecular systems, and provide a precise sampling of the Born-Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗

IDAES Enterprise: Generation Expansion Planning with Enhanced Requirements for Capacity Adequacy Under Renewable Intermittency

Achieving net zero carbon emissions likely requires future power systems to integrate new, flexible energy technologies to accommodate higher levels of capacity from variable renewable energy sources. To determine the optimal deployment of new electricity capacity and to study the likelihood of deployments of new energy technologies, an expansion planning model has been developed as part of the IDAES-Enterprise suite of grid models. The Generation Expansion Planning (GEP) model is a multi-period model in which investment decisions occur yearly, and a Unit Commitment (UC) problem is examined on an hourly timescale. To reduce computational complexity of the GEP model, the UC problem is solved for average “representative days” which leaves out extreme, but relatively common, scenarios in which low renewable generation occurs, leaving the system with inadequacy in capacity. The IDAES-Enterprise GEP model has been modified to include these extreme scenarios while keeping the model reasonably tractable. Specifically, a lazy constraint technique was implemented to check for capacity adequacy on an hourly basis over a large data set of aligned load-wind-solar profiles. As a vast majority of the capacity constraints will not be violated, the technique lowers computational expense by searching for violated capacity constraints over an “iterative manner,” adding those infeasible constraints back into the model. Results on a test case of the Southwest Power Pool shows that the lazy constraint technique significantly reduces retirements and increases installments of natural gas combined cycles and flexible natural gas units. It also reduces some retirements of coal units. These modifications provide a more reasonable estimation of required dispatchable power generation capacity to ensure feasibility during peak net load.

Liu, Peng↗

Expansion of the Fuel Motion Monitoring System

The Idaho National Laboratory (INL) Transient Reactor Test Facility (TREAT) Fuel Motion Monitoring System (FMMS) is a diagnostic tool used to visualize the movement and location of fuel within the nuclear reactor during transient experiments. TREAT is designed to test the behavior of nuclear fuel under accident conditions, such as a rapid power increase. The TREAT FMMS, also referred to as the “hodoscope” because of the system’s massive steel collimator component, is located on the North beam port of the reactor. While the FMMS system is capable of incorporating a total of 360 sensors, initial refurbishment efforts resulted in a array of 96 fast neutron detectors. This initial array was configured to provide a narrow (2 channels) full-length view of experiment vessels with an extended 4-channel–wide region in the center of the array capable of providing a full view of all initially planned experiments. Planning and efforts to expand the FMMS array began immediately following the restart of TREAT. An additional 96 detectors were evaluated, characterized, and prepared for installation at TREAT during the summer of 2018. Unfortunately, funding reductions forced the project towards a 5-year hiatus. In October of 2023 funding from the Department of Energy’s Nuclear Science User Facilities enabled the expansion to recommence. This report serves to document the activities performed to expand the FMMS detector array to 192 channels in order to provide a broader view of the larger and more sophisticated test capsules currently planned for future irradiation in the TREAT reactor. This expansion also included doubling the data acquisition capability, addressing the new heat load on the system, and synchronizing the time for all digital components.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantum Algorithm for Simulating Hamiltonian Dynamics with an Off-diagonal Series Expansion

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the dynamics due to the diagonal component of the Hamiltonian from the dynamics generated by its off-diagonal part, which we encode using the linear combination of unitaries technique. Our method has an optimal dependence on the desired precision and, as we illustrate, generally requires considerably fewer resources than the current state-of-the-art. We provide an analysis of resource costs for several sample models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Partitioned Quantum Subspace Expansion

We present an iterative generalisation of the quantum subspace expansion algorithm used with a Krylov basis. The iterative construction connects a sequence of subspaces via their lowest energy states. Diagonalising a Hamiltonian in a given Krylov subspace requires the same quantum resources in both the single step and sequential cases. We propose a variance-based criterion for determining a good iterative sequence and provide numerical evidence that these good sequences display improved numerical stability over a single step in the presence of finite sampling noise. Implementing the generalisation requires additional classical processing with a polynomial overhead in the subspace dimension. By exchanging quantum circuit depth for additional measurements the quantum subspace expansion algorithm appears to be an approach suited to near term or early error-corrected quantum hardware. Our work suggests that the numerical instability limiting the accuracy of this approach can be substantially alleviated in a parameter-free way.

97 MATHEMATICS AND COMPUTING↗

Learning from Arctic Microgrids: Cost and Resiliency Projections for Renewable Energy Expansion with Hydrogen and Battery Storage

Electricity in rural Alaska is provided by more than 200 standalone microgrid systems powered predominantly by diesel generators. Incorporating renewable energy generation and storage to these systems can reduce their reliance on costly imported fuel and improve sustainability; however, uncertainty remains about optimal grid architectures to minimize cost, including how and when to incorporate long-duration energy storage. This study implements a novel, multi-pronged approach to assess the techno-economic feasibility of future energy pathways in the community of Kotzebue, which has already successfully deployed solar photovoltaics, wind turbines, and battery storage systems. Using real community load, resource, and generation data, we develop a series of comparison models using the HOMER Pro software tool to evaluate microgrid architectures to meet over 90% of the annual community electricity demand with renewable generation, considering both battery and hydrogen energy storage. We find that near-term planned capacity expansions in the community could enable over 50% renewable generation and reduce the total cost of energy. Additional build-outs to reach 75% renewable generation are shown to be competitive with current costs, but further capacity expansion is not currently economical. We additionally include a cost sensitivity analysis and a storage capacity sizing assessment that suggest hydrogen storage may be economically viable if battery costs increase, but large-scale seasonal storage via hydrogen is currently unlikely to be cost-effective nor practical for the region considered. While these findings are based on data and community priorities in Kotzebue, we expect this approach to be relevant to many communities in the Arctic and Sub-Arctic regions working to improve energy reliability, sustainability, and security.

25 ENERGY STORAGE↗

Arabidopsis GALACTURONOSYLTRANSFERASE (GAUT) 1 synthesizes a homogalacturonan tightly bound to the cell wall and required for cell expansion

Arabidopsis GALACTURONOSYLTRANSFERASE1 (GAUT1) synthesizes homogalacturonan (HG), the most abundant pectin in growing plant cells. GAUT1 has the greatest in vitro enzyme activity of the six confirmed Arabidopsis HG biosynthetic GAUTs, but its biological activity remains elusive. Here we show that Arabidopsis GAUT1 homozygous mutants have a severe dwarfed seedling phenotype, survive several weeks as 2 to 3 mm seedlings, and have severely reduced shoot and root growth and hypocotyl epidermal, cortex and endodermal cell size. gaut1-1 pollen tubes are shorter than WT with increased bursting. Complementation of homozygous gaut1-1 with GAUT1 coding sequence driven by the GAUT1 promoter restored WT-like growth. The extreme dwarf phenotype of homozygous gaut1-1 seedlings precluded their use for detailed cell wall analysis, thus suspensions cultures were produced from callus generated from mutant and WT seedlings. Homozygous gaut1-1 suspension cells were smaller than WT with ∼30% reduced wall GalA content compared to WT. Sequential extraction of the walls with increasingly harsh solvents and sugar composition analysis revealed reduced GalA content in only the 4M KOH post-chlorite fraction, indicating that GAUT1-synthesized HG was held tightly in the wall by direct or indirect hydrogen bonding and/or oxidation-sensitive linkages. Treatment of wall fractions with endopolygalacturonase to hydrolyze HG and gel electrophoretic separation of hydrolysates exposed an HG-associated doublet band markedly downregulated in the homozygous gaut1-1 4M KOH post-chlorite fraction and to a lesser extent in 4M KOH and sodium chlorite fractions. NMR analysis identified the band as rhamnogalacturonan (RG)-II. Super resolution microscopy using anti-HG antibodies showed that, compared to WT, the homozygous gaut1-1 hypocotyl epidermal and callus cells had reduced content and length of HG nanofilaments, HG fibers associated with cell expansion in Arabidopsis. The results demonstrate that GAUT1-synthesized HG resides in a tightly-cell-wall-bound, RG-II-containing polymer required for HG nanofilament formation and seedling cell expansion.

Atmodjo↗

Tunable negative coefficient thermal expansion materials and composites

The present disclosure is directed to variable composition ceramics. Zr (2−x) Hf (x) WP 2 O 12 and Hf 2 WP 2 O 12 exhibit large negative thermal expansion that is linear over a large temperature range up to at least 900° C., These new ceramic material particles may be mixed with polymers to make a composite suitable for use in backsheets for photovoltaic modules or in other applications. The thermal expansion coefficient of the composite can be tailored to match that of the solar cell in order to reduce stress resulting from daily thermal cycling.

Gordon, Margaret Ellen↗