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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 613 records · Page 34

Reactive power planning under high penetration of wind energy using Benders decomposition

This study addresses the optimal allocation of reactive power volt-ampere reactive (VAR) sources under the paradigm of high penetration of wind energy. Reactive power planning (RPP) in this particular condition involves a high level of uncertainty because of wind power characteristic. To properly model wind generation uncertainty, a multi-scenario framework optimal power flow that considers the voltage stability constraint under the worst wind scenario and transmission N 1 contingency is developed. The objective of RPP in this study is to minimise the total cost including the VAR investment cost and the expected generation cost. Therefore RPP under this condition is modelled as a two-stage stochastic programming problem to optimise the VAR location and size in one stage, then to minimise the fuel cost in the other stage, and eventually, to find the global optimal RPP results iteratively. Benders decomposition is used to solve this model with an upper level problem (master problem) for VAR allocation optimisation and a lower problem (sub-problem) for generation cost minimisation. Impact of the potential reactive power support from doubly-fed induction generator (DFIG) is also analysed. Lastly, case studies on the IEEE 14-bus and 118-bus systems are provided to verify the proposed method.

17 WIND ENERGY↗

A Customizable Metric to Provide a Comprehensive Picture of the Mobility Potential of a Location

Accessibility in a geo-spatial context refers to the ease of reaching a variety of opportunities from a given location. Accessibility theories (and resulting metrics) have traditionally focused on quantifying access to specific opportunities (such as jobs), or focused on specific modes (such as car, bike, etc.). Such approaches often fall short of providing a comprehensive picture of the true accessibility potential of a location as a combination of multiple modes to multiple types of destinations. Addressing this drawback, a novel metric labeled the ‘Mobility Energy Productivity (MEP) Metric’ was developed at the National Renewable Energy Laboratory to quantify the mobility potential of a location to connect people to goods, services, and employment using a variety of modes, while accounting for time, energy, and affordability. The MEP metric has been integrated with advance travel behavior models to compute the changes in mobility potential for various future scenarios, such as introduction of automated vehicles, and/or electric vehicles—but does so at the aggregate, or average-citizen level. The MEP in its initial iteration is not customized to the particular socio-economic contingents, or even to an individual whose modal availability or pattern of trip making may substantially differ from the average. Addressing this gap, this research effort extends the MEP framework from a static state to a more tailored and dynamic state, one in which an individual, or group can customize the metric for their unique characteristics, such as modes, activity patterns, and time-of-day preferences. The extended MEP metric framework can now be integrated to assess the customized mobility energy productivity of an individual.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

Quantum simulations employing connected moments expansions

Further advancement of quantum computing (QC) is contingent on enabling many-body models that avoid deep circuits and excessive use of CNOT gates. To this end, we develop a QC approach employing finite-order connected moment expansions (CMX) and affordable procedures for initial state preparation. We demonstrate the performance of our approach employing several quantum variants of CMX through the classical emulations on the H2 molecule potential energy surface and the Anderson model with a broad range of correlation strength. The results show that our approach is robust and flexible. Good agreements with exact solutions can be maintained even at the dissociation and strong correlation limits.

quantum computing, quantum chemistry, Electron cor↗

An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe–Salpeter equation calculations of molecules

The ab initio GW plus Bethe–Salpeter equation (GW-BSE, where G is the one particle Green's function and W is the screened Coulomb interaction) approach has emerged as a leading method for predicting excitations in both solids and molecules with a predictive power contingent upon several factors. Among these factors are the (1) generalized Kohn–Sham eigensystem used to construct the GW self-energy and to solve the BSE and (2) the efficacy and suitability of the Tamm–Dancoff approximation. Here, we present a detailed benchmark study of low-lying singlet excitations from a generalized Kohn–Sham (gKS) starting point based on an optimally tuned range-separated hybrid (OTRSH) functional. We show that the use of this gKS starting point with one-shot G0W0 and G0W0-BSE leads to the lowest mean absolute errors (MAEs) and mean signed errors (MSEs), with respect to high-accuracy reference values, demonstrated in the literature thus far for the ionization potentials of the GW100 benchmark set and for low-lying neutral excitations of Thiel’s set molecules in the gas phase, without the need for self-consistency. The MSEs and MAEs of one-shot G0W0-BSE@OTRSH excitation energies are comparable to or lower than those obtained with other functional starting points after self-consistency. Additionally, we compare these results with linear-response time-dependent density functional theory (TDDFT) calculations and find GW-BSE to be superior to TDDFT when calculations are based on the same exchange-correlation functional. This work demonstrates tuned range-separated hybrids used in combination with GW and GW-BSE can greatly suppress starting point dependence for molecules, leading to accuracy similar to that for higher-order wavefunction-based theories for molecules without the need for costlier iterations to self-consistency.

McKeon, Caroline A. (ORCID:0000000217373503)↗

Structural insights into enzymatic [4+2] aza -cycloaddition in thiopeptide antibiotic biosynthesis

The [4+2] cycloaddition reaction is an enabling transformation in modern synthetic organic chemistry, but there are only limited examples of dedicated natural enzymes that can catalyze this transformation. Thiopeptides (or more formally thiazolyl peptides) are a class of thiazole-containing, highly modified, macrocyclic secondary metabolites made from ribosomally synthesized precursor peptides. The characteristic feature of these natural products is a six-membered nitrogenous heterocycle that is assembled via a formal [4+2] cycloaddition between two dehydroalanine (Dha) residues. This heteroannulation is entirely contingent on enzyme activity, although the mechanism of the requisite pyridine/dehydropiperidine synthase remains to be elucidated. The unusual aza -cylic product is distinct from the more common carbocyclic products of synthetic and biosynthetic [4+2] cycloaddition reactions. Here, to elucidate the mechanism of cycloaddition, we have determined atomic resolution structures of the pyridine synthases involved in the biosynthesis of the thiopeptides thiomuracin (TbtD) and GE2270A (PbtD), in complex with substrates and product analogs. Structure-guided biochemical, mutational, computational, and binding studies elucidate active-site features that explain how orthologs can generate rigid macrocyclic scaffolds of different sizes. Notably, the pyridine synthases show structural similarity to the elimination domain of lanthipeptide dehydratases, wherein insertions of secondary structural elements result in the formation of a distinct active site that catalyzes different chemistry. Comparative analysis identifies other catalysts that contain a shared core protein fold but whose active sites are located in entirely different regions, illustrating a principle predicted from efforts in de novo protein design.

59 BASIC BIOLOGICAL SCIENCES↗

Reduction-dependent siderophore assimilation in a model pennate diatom

Significance Diatoms can access inorganic iron with remarkable efficiency, but this process is contingent on carbonate ion concentration. As ocean acidification reduces carbonate concentration, inorganic iron uptake may be discouraged in favor of carbonate-independent uptake. We report details of an iron assimilation process that needs no carbonate but requires exogenous compounds produced by cooccurring organisms. We show this process to be critical for diatom growth at high siderophore concentrations, but ineffective at acquiring iron from low-affinity organic chelators or lithogenic particulates. Understanding the caveats associated with iron source preference in diatoms will help predict the impacts of climate change on microbial community structure in high-nitrate low-chlorophyll ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of AP1000 Small-Break Loss-of-Coolant Accident Using Reactor Transient Simulator

The Westinghouse Electric Company’s Advanced Passive Reactor (AP1000) is characterized by the incorporation of passive safety systems (PSSs) designed to ensure core cooling during transient events. The assessment of PSSs requires evaluation of their performance through a combination of experiments and simulations employing various thermal-hydraulic codes. In addition, detailed evaluation of PSSs for a specific reactor system transient analysis such as loss-of-coolant-accident analysis supports understanding representative integral effects test facility development and the further evolution model development and assessment process. Developing a reactor system code is a complex and time-consuming process that requires significant engineering expertise and effort. It can take several months to even years to complete in the early stages of reactor system design and analysis. However, this process can be expedited through the use of transient simulator models for similar reactor systems, which can be used for lesson learning and training purposes. This study uses the Personal Computer Transient Analyzer (PCTRAN) code. The main advantage of PCTRAN is its ease of use and ability to run faster than real time. This study presents the results obtained for a small-break loss-of-coolant accident (SBLOCA) for two breaks using the full version (licensed) of PCTRAN. The purpose of this investigation is to evaluate the overall system behavior during the postulated SBLOCA event as well as assess the capability of the PCTRAN code to reproduce the system response during transient events. The obtained results were compared with the Westinghouse NOTRUMP system code. The PCTRAN code proved to be reliable in predicting the qualitative behavior of the system in both transient cases. As for the system response, it was found that it is contingent on the activation time of the PSSs. The differences in reactor coolant system pressure between the two codes were attributed to the critical flow model and simplification of mass and energy balance. Despite PCTRAN’s limitations, it can still provide a reasonable prediction of various reactor parameters such as pressure, mass flow rate, and void fraction during a SBLOCA scenario. It is worth noting that PCTRAN currently employs a bulk approach similar to that of the Modular Accident Analysis Program (MAAP) and MELCOR codes. However, the upcoming version of PCTRAN will include an artificial intelligence–based detection and accident prevention system, as well as different models for different reactor components. Consequently, PCTRAN has the potential to be upgraded to match the system thermal-hydraulic codes of the U.S. Nuclear Regulatory Commission and become more widely used in cybersecurity to safeguard nuclear power plants from cyberattacks.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Opportunities, Challenges, and Research Needs for Remote Microreactor Operations

As the nuclear industry develops new advanced reactor technologies, many companies are embracing this advancement by pursuing the development of microreactors. The term microreactor generally refers to a nuclear reactor with an operating power of 20 MW(thermal) or less. The power range of microreactors makes them appealing for many use cases, such as powering remote communities, mining sites, and military bases. Most of the microreactor designs being pursued are expected to incorporate remote facility operations into the final product. However, no framework has yet been developed to determine what remote operations systems require for reliable, resilient, and secure operation of a microreactor. Here, this work identifies the research needs for challenges that are unique to remote operations and monitoring for microreactors, specifically regarding instrumentation and control, communication methods, regulatory requirements, and operational policies. The types of commands and sensor measurements that must be transmitted between the facilities, as well as methods for verifying the trustworthiness of these signals, are assessed. This work evaluates the security, reliability, and performance requirements that must be met when considering the selection of communication hardware and protocols for use in remote operations. Also, an assessment was performed to study how remote operations fit within current regulatory requirements and what may need to be updated in regulatory policy to allow for remote operation. Finally, the operational contingencies unique to remote operations that must be in place for responses to abnormal events are identified. This paper identifies the challenges and research opportunities within the areas of importance for the design of remote operation systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Interactive Effects of Microbes and Nitrogen on Panicum virgatum Root Functional Traits and Patterns of Phenotypic Selection

Premise of research. Plants in natural and agricultural systems are influenced in myriad ways by their microbial communities, particularly by providing goods and services that change plant functional traits. Microbes are considered an influential part of the environmental context that change plant trait expression, but often, microbe-mediated effects are contingent on local resources, such as nitrogen. Here, we ask how microbes and nitrogen affect belowground functional traits and patterns of phenotypic selection. Methodology. We performed a fully factorial greenhouse experiment with switchgrass (Panicum virgatum), manipulating microbial community composition and nitrogen availability. We measured plant performance and belowground functional traits and performed 16S amplicon sequencing of the root-associated microbial communities. We looked for correlations between microbial taxa and root functional traits, and we performed phenotypic selection analysis on five belowground functional traits to determine how traits affect plant relative performance across biotic and abiotic contexts. Pivotal results. All belowground plant functional traits except root tissue density were affected by adding nitrogen. We found that a microbial taxon (amplicon sequence variant [ASV]) in the genus Micromonospora correlated with shorter root lengths. We also found strong positive selection for longer roots regardless of the abiotic or biotic environment. In contrast, selection favored lower root-to-shoot ratios in high-nitrogen conditions, and selection on root tissue density was highest in treatments that had high nitrogen levels and perturbed microbial communities. Conclusions. We did not detect microbial effects on the expression of plant traits (ecological effects); however, patterns of phenotypic selection (evolutionary effects) on root tissue density differed depending on the biotic and abiotic environment. Additionally, we detected strong selection for increased root length across treatments; we also found that one ASV correlated with decreased root length, indicating potential conflict between root microbiome components and plant fitness. Future work would be to include microbial taxa in phenotypic selection analysis and to conduct manipulations of the microbes correlated with functional traits to determine causality.

59 BASIC BIOLOGICAL SCIENCES↗

A high-resolution Hubble Space Telescope study of apparent Lyman continuum leakers at z ∼ 3

We present U{sub 336}V{sub 606}J{sub 125}H{sub 160} follow-up Hubble Space Telescope (HST) observations of 16 z ∼ 3 candidate Lyman continuum (LyC) emitters in the HS1549+1919 field. With these data, we obtain high spatial-resolution photometric redshifts of all sub-arcsecond components of the LyC candidates in order to eliminate foreground contamination and identify robust candidates for leaking LyC emission. Of the 16 candidates, we find one object with a robust LyC detection that is not due to foreground contamination. This object (MD5) resolves into two components; we refer to the LyC-emitting component as MD5b. MD5b has an observed 1500 Å to 900 Å flux-density ratio of (F{sub UV}/F{sub LyC}){sub obs}=4.0±2.0, compatible with predictions from stellar population synthesis models. Assuming minimal IGM absorption, this ratio corresponds to a relative (absolute) escape fraction of f{sub esc,rel}{sup MD5b} = 75%–100% (f{sub esc,abs}{sup MD5b} = 14%–19%). The stellar population fit to MD5b indicates an age of ≲50 Myr, which is in the youngest 10% of the HST sample and the youngest third of typical z ∼ 3 Lyman break galaxies, and may be a contributing factor to its LyC detection. We obtain a revised, contamination-free estimate for the comoving specific ionizing emissivity at z = 2.85, indicating (with large uncertainties) that star-forming galaxies provide roughly the same contribution as QSOs to the ionizing background at this redshift. Our results show that foreground contamination prevents ground-based LyC studies from obtaining a full understanding of LyC emission from z ∼ 3 star-forming galaxies. Future progress in direct LyC searches is contingent upon the elimination of foreground contaminants through high spatial-resolution observations, and upon acquisition of sufficiently deep LyC imaging to probe ionizing radiation in high-redshift galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Observational prospects of self-interacting scalar superradiance with next-generation gravitational-wave detectors

Abstract Current- and next-generation gravitational-wave observatories may reveal new, ultralight bosons. Through the superradiance process, these theoretical particle candidates can form clouds around astrophysical black holes and result in detectable gravitational-wave radiation. In the absence of detections, constraints—contingent on astrophysical assumptions—have been derived using LIGO-Virgo-KAGRA data on boson masses. However, the searches for ultralight scalars to date have not adequately considered self-interactions between particles. Self-interactions that significantly alter superradiance dynamics are generically present for many scalar models, including axion-like dark matter candidates and string axions. We implement the most complete treatment of particle self-interactions available to determine the gravitational-wave signatures expected from superradiant scalar clouds and revisit the constraints obtained in a past gravitational-wave search targeting the black hole in Cygnus X-1. We also project the reach of next-generation gravitational-wave observatories to scalar particle parameter space in the mass-coupling plane. We find that while proposed observatories have insufficient reach to self-interactions that can halt black hole spin-down, next-generation observatories are essential for expanding the search beyond gravitational parameter space and can reach a mass and interaction scale of ∼ 10 − 13 –10 −12 eV / c 2 and ≳ 10 17 GeV, respectively.

Collaviti, Spencer (ORCID:0009000372808236)↗

Directional excitation without breaking reciprocity

Here, we propose a mechanism for directional excitation without breaking reciprocity. This is achieved by embedding an impedance matched parity-time symmetric potential in a three-port system. The amplitude distribution within the gain and loss regions is strongly influenced by the direction of the incoming field. Consequently, the excitation of the third port is contingent on the direction of incidence while transmission in the main channel is immune. This design improves the four-port directional coupler scheme, as there is no need to implement an anechoic termination to one of the ports.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Design Guidelines for Deployable Wind Turbines for Defense and Disaster Response Missions

Access to on-site electrical energy is critical to ensuring a successful military or humanitarian response to conflicts and disasters. These missions typically rely on access to liquid fuel that could be vulnerable to disruption or attack during transport. Generating power on location with wind technology—whether at a contingency base or disaster response coordination point—can reduce this risk and enhance mission reach by diversifying energy sources. Common characteristics of these missions are short planning and execution time horizons and a global scope of potential locations. Compared to conventional wind turbine applications, defense and disaster response applications place a premium on rapid shipping and installation, short-duration operation (days to months), and quick teardown upon mission completion. These design drivers depart from features found in conventional distributed wind turbines, thus necessitating unique design guidance. The supporting information for this guidance comes from available relevant references, technical analyses, and input from industry and military stakeholders. This paper serves as a summary of the full report, Design Guidelines for Deployable Wind Turbines for Military Operational Energy Applications (Sandia report SAND2021-14581 R [1]), which presents the best currently available design guidance for deployable wind turbines to facilitate the effective development and acquisition of technology solutions to support mission success.

17 WIND ENERGY↗

Scale-dependent effects of climate and geographic distance on bacterial diversity patterns across northern China's grasslands

Patterns of variation in plant and animal diversity along precipitation gradients have been extensively studied, but much less is known about how and to what extent precipitation affects the biogeographic distribution of microbial diversity in arid areas across large spatial scales. Here we collected soils from 54 sites along a 3700 km transect covering a wide range of grassland ecosystems with distinct aridity gradients. We quantified the bacterial community diversity and the effects of climate, edaphic parameter and geographic distance on the bacterial community structure using high-throughput 16S rRNA gene sequencing. Of the 35 phyla detected, 6 were dominant: Actinobacteria, Acidobacteria, Alphaproteobacteria, Deltaproteobacteria, Bacteroidetes and Planctomycetes . Aridity was a major factor influencing bacterial diversity, community composition and taxon abundance. Although the pattern of bacterial species richness is markedly different from that of plant species richness, most soil bacteria were endemic to particular bioregions like macro-organisms. Community similarity significantly declined with environmental distance and geographic distance (r = -0.579 and -0.773, respectively). Geographic distance (historical contingencies) contributed more to bacterial community variation (36.02%) than combined environmental factors (24.06%). Finally, our results showed that geographic distance and climatic factors concurrently govern bacterial biogeographic patterns in arid and semi-arid grassland.

59 BASIC BIOLOGICAL SCIENCES↗

New particle pusher with hadronic interactions for modeling multimessenger emission from compact objects

We propose novel numerical schemes based on the Boris method in curved spacetime, incorporating both hadronic and radiative interactions for the first time. Once the proton has lost significant energy due to radiative and hadronic losses, and its gyroradius has decreased below typical scales on which the electromagnetic field varies, we apply a guiding center approximation (GCA). We fundamentally simulate collision processes either with a Monte-Carlo method or, where applicable, as a continuous energy loss, contingent on the local optical depth. To test our algorithm for the first time combining the effects of electromagnetic, gravitational, and radiation fields including hadronic interactions, we simulate highly relativistic protons traveling through various electromagnetic fields and proton backgrounds. We provide unit tests in various spatially dependent electromagnetic and gravitational fields and background photon and proton distributions, comparing the trajectory against analytic results. We propose that our method can be used to analyze hadronic interactions in black hole accretion disks, jets, and coronae to study the neutrino abundance from active galactic nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Polarization transmission in the Hadron Storage Ring of the Electron-Ion Collider

The successful operation of the future Electron-Ion Collider is contingent on maintaining high hadron beam polarization up to 275 GeV. The Hadron Storage Ring lattice, however, features a symmetry-breaking interaction region that excites strong, nonsystematic spin resonances, posing a significant threat to polarization preservation. This paper systematically investigates two complementary strategies to ensure high polarization transmission. The first method involves optimizing the vertical betatron phase advance between Siberian snakes to orchestrate a cancellation of depolarizing kicks across the ring. We demonstrate through simulations that both dynamic and fixed-optics solutions based on this principle can successfully preserve polarization through the strongest resonances. The second, more powerful approach involves optimizing the snake rotation axes to suppress resonance driving terms at their source. We revisit established symmetric configurations, such as the Lee-Courant schemes, and introduce a novel, highly symmetric “Doubly Lee-Courant” (DLC) scheme, which enforces a local 𝜋 spin phase advance across every consecutive pair of snakes. Our analysis reveals a clear performance hierarchy, with the DLC configuration providing an exceptionally robust and energy-insensitive baseline for polarization preservation. We conclude that a hybrid strategy, using a DLC snake scheme as a symmetric foundation and betatron phase tuning for fine corrections, offers the most effective path forward for the EIC and future high-energy polarized-beam facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Observing dark matter decays to gravitons via graviton-photon conversion

Since dark matter is only known to have gravitational interactions, it may plausibly decay to gravitons on cosmological timescales. Although such a scenario can be easily realized, there are currently no known limits on this possibility based on indirect-detection methods. We propose a new search strategy that exploits the Gertsenshtein effect, whereby the gravitons produced in dark matter decays can convert to photons in large-scale magnetic fields along the line of sight to an observer. These conversions primarily occur within cosmological filaments which occupy a large (order unity) volume fraction and contain ∼ 10 – 100 nG fields with ∼ Mpc coherence lengths. Thus, dark matter decays to gravitons predict an irreducible population of extragalactic photons, which we constrain using the extragalactic gamma-ray background measured by the Fermi-LAT telescope. Using this method, we derive the first-ever constraints on the dark matter lifetime in the 0.1 GeV - 10 8 GeV mass range, contingent on the assumed filament magnetic field strength. We also make projections for the Advanced Particle-astrophysics Telescope, which can improve sensitivity to this dark matter decay channel by an order of magnitude beyond those we set using Fermi-LAT data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Asymmetry in serial femtosecond crystallography data

Serial crystallography is an increasingly important approach to protein crystallography that exploits both X-ray free-electron laser (XFEL) and synchrotron radiation. Serial crystallography recovers complete X-ray diffraction data by processing and merging diffraction images from thousands of randomly oriented non-uniform microcrystals, of which all observations are partial Bragg reflections. Random fluctuations in the XFEL pulse energy spectrum, variations in the size and shape of microcrystals, integrating over millions of weak partial observations and instabilities in the XFEL beam position lead to new types of experimental errors. The quality of Bragg intensity estimates deriving from serial crystallography is therefore contingent upon assumptions made while modeling these data. Here it is observed that serial femtosecond crystallography (SFX) Bragg reflections do not follow a unimodal Gaussian distribution and it is recommended that an idealized assumption of single Gaussian peak profiles be relaxed to incorporate apparent asymmetries when processing SFX data. The phenomenon is illustrated by re-analyzing data collected from microcrystals of the Blastochloris viridis photosynthetic reaction center and comparing these intensity observations with conventional synchrotron data. The results show that skewness in the SFX observations captures the essence of the Wilson plot and an empirical treatment is suggested that can help to separate the diffraction Bragg intensity from the background.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗