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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 739 records · Page 41

Ion correlations drive charge overscreening and heterogeneous nucleation at solid–aqueous electrolyte interfaces

Significance Ion distributions at charged solid–water interfaces, referred to as the electrical double layer (EDL), are poorly understood at high ion concentrations, in part due to the lack of molecular-scale descriptions of the interactions between adsorbed hydrated ions. Here, direct visualization of the salinity-dependent evolution of EDL structure reveals molecular origins of nonclassical transformation of the EDL, in which charge overscreening and heterogeneous nucleation are driven by ion–ion correlations at the interfaces. This manifestation of the atomistic basis of nonclassical behaviors provides a much-needed understanding of the impact of ion cooperativity at charged interfaces for the development of predictive models for element transport in natural environments and advanced technologies for material growth and synthesis in saline environments.

36 MATERIALS SCIENCE↗

Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria

All kingdoms of life produce essential nicotinamide dinucleotide NADP(H) using NAD kinases (NADKs). A panel of published NADK structures from bacteria, eukaryotic cytosol, and yeast mitochondria revealed similar tetrameric enzymes. Here, we present the 2.8-Å structure of the human mitochondrial kinase NADK2 with a bound substrate, which is an exception to this uniformity, diverging both structurally and biochemically from NADKs. We show that NADK2 harbors a unique tetramer disruptor/dimerization element, which is conserved in mitochondrial kinases of animals (EMKA) and absent from other NADKs. EMKA stabilizes the NADK2 dimer but prevents further NADK2 oligomerization by blocking the tetramerization interface. This structural change bears functional consequences and alters the activation mechanism of the enzyme. Whereas tetrameric NADKs undergo cooperative activation via oligomerization, NADK2 is a constitutively active noncooperative dimer. Thus, our data point to a unique regulation of NADP(H) synthesis in animal mitochondria achieved via structural adaptation of the NADK2 kinase.

59 BASIC BIOLOGICAL SCIENCES↗

Controlling laser-dressed resonance line shape using attosecond extreme-ultraviolet pulse with a spectral minimum

High-harmonic generation from a gas target exhibits sharp spectral features and rapid phase variation near the Cooper minimum. By applying spectral filtering, shaped isolated attosecond pulses can be generated where the pulse is split into two in the time domain. Using such shaped extreme-ultraviolet (XUV) pulses, we theoretically study attosecond transient absorption (ATA) spectra of helium 2s2p autoionizing state which is resonantly coupled to the 2s 2 dark state by a time-delayed infrared laser. Our simulations show that the asymmetric 2s2p Fano line shape can be readily tuned into symmetric Lorentzian within the time delay of a few tens of attoseconds. Such efficient control is due to the destructive interference in the generation of the 2s2p state when it is excited by a strongly shaped XUV pulse. This is to be compared to prior experiments where tuning the line shape of a Fano resonance would take tens of femtoseconds. We also show that the predicted ATA spectral line shape can be observed experimentally after propagation in a gas medium. Our results suggest that strongly shaped attosecond XUV pulses offer the opportunity for controlling and probing fine features of narrow resonances on the few-ten attoseconds timescale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fungal social barriers: to fuse, or not to fuse, that is the question

Cell fusion takes place in all domains of life and contributes greatly to the formation of complex multicellular structures. In particular, many fungi, such as the filamentous Neurospora crassa, rely on conspecific somatic cell fusion to drive the unicellular-to-multicellular transition and formation of the interconnected mycelial syncytium. This can, however, lead to the transmission of infectious elements and deleterious genotypes that have a negative impact on the organismal fitness. Accumulating evidence obtained from natural populations suggests that N. crassa has evolved various self/non-self or allorecognition systems to avoid fusion between genetically non-identical spores or hyphae at all costs. Here we present an overview of the recent advances made in the field of fungal allorecognition, describe its genetic basis, and comment on its evolutionary meaning. These data pinpoint the multilayered complexity of the cooperative social behaviors undertaken by a model eukaryotic microbe.

59 BASIC BIOLOGICAL SCIENCES↗

Dramatic relativistic effects on the ns dipole angular distribution asymmetry parameter, β ns , of heavy and superheavy elements

A theoretical study of the dipole photoelectron angular distribution asymmetry parameter, β, of the 6s, 5s and 4s subshells has been conducted for a range of closed-shell heavy, Hg (Z = 80), Rn (Z = 86), Ra (Z = 88) and superheavy, No (Z = 102), Cn (Z = 112), Og (Z = 118), Ubn (Z = 120) elements to understand the deviation of β from the nonrelativistic value of 2 owing to relativistic effects. It was found that the deviation, strongest in Cooper minimum regions, persists over all energy for all ns subshells, and the deviations increase with Z. Furthermore, three levels of relativistic calculations were performed in order to pinpoint the particular interactions responsible for the details of the behavior of the ns β's as functions of energy, n, and Z and, in addition to the effects of the (relativistic) spin–orbit interaction, interchannel coupling was found to be of crucial importance in the determination of the β parameter in most of the situations studied.

74 ATOMIC AND MOLECULAR PHYSICS↗

Critical magnetic fields and electron pairing in magic-angle twisted bilayer graphene

The velocities of the quasiparticles that form Cooper pairs in a superconductor are revealed by the upper critical magnetic field. Here we use this property to assess superconductivity in magic-angle twisted bilayer graphene (MATBG), which has been observed over a range of moiré band-filling, twist angle, and screening environment conditions. An average Fermi velocity can be defined as $v$$^{*}_{F}$ ≡ k B T c ℓ c /ℏ, where T c and ℓ c are the critical temperature and magnetic length, respectively. An advantage of this definition is that $v$$^{*}_{F}$ can be directly extracted from the existing experimental data. Mean-field theory calculations of upper critical fields in model superconductors are consistent with the expectation that Fermi velocities defined in this way are nearly independent of the strength of pairing interaction. Moreover, for fixed strength pairing interaction, minima in $v$$^{*}_{F}$ as a function of band filling are coincident with maxima in T c , as expected from the McMillan formula. Since no association between T c maxima and $v$$^{*}_{F}$ minima is present in MATBG experimental data, we argue that the pairing interaction in MATBG is strongly filling-factor dependent. Furthermore, any theory of MATBG superconductivity must explain this dependence, which is apparently primarily responsible for the observed superconducting domes.

2-dimensional systems↗

Pseudospin Paramagnons and the Superconducting Dome in Magic Angle Twisted Bilayer Graphene

We present a theory of superconductivity in twisted bilayer graphene in which attraction is generated between electrons on the same honeycomb sublattice when the system is close to a sublattice polarization instability. The resulting Cooper pairs are spin-polarized valley singlets. Because the sublattice polarizability is mainly contributed by interband fluctuations, superconductivity occurs over a wide range of filling fraction. It is suppressed by (i) applying a sublattice polarizing field (generated by an aligned BN substrate) or (ii) changing moiré band filling to favor valley polarization. The enhanced intrasublattice attraction close to sublattice polarization instability is analogous to enhanced like-spin attraction in liquid 3 He near the melting curve and the enhanced valley-singlet repulsion close to valley-polarization instabilities is analogous to enhanced spin-singlet repulsion in metals that are close to a ferromagnetic instability. Here, we comment on the relationship between our pseudospin paramagnon model and the rich phenomenology of superconductivity in twisted bilayer and multilayer graphene.

36 MATERIALS SCIENCE↗

Disentangling the role of bond lengths and orbital symmetries in controlling $T_c$ of optimally doped YBa 2 Cu 3 O 7

Optimally doped YBa 2 Cu 3 O 7 (YBCO) has a high critical temperature, at 92 K. It is largely believed that Cooper pairs form in YBCO and other cuprates because of spin fluctuations, but the issue and the detailed mechanism are far from settled. In the present work, we employ a state-of-the-art first-principles ability to compute both the low- and high-energy spin fluctuations in optimally doped YBCO. We benchmark our results against recent inelastic neutron scattering and resonant inelastic x-ray scattering measurements. Further, we use strain as an external parameter to modulate the spin fluctuations and superconductivity. We disentangle the roles of barium-apical oxygen hybridization, interlayer coupling, and orbital symmetries by applying an idealized strain, and also a strain with a fully relaxed structure. We show that shortening the distance between Cu layers is conducive to enhanced Fermi surface nesting, which increases spin fluctuations and drives up $T_c$. However, when the structure is fully relaxed, electrons flow to the $d_{z^2}$ orbital as a consequence of a shortened Ba-O bond, which is detrimental for superconductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Distributed Secondary Control of Grid-Forming Inverters and AC Microgrids: Impacts of Voltage Feedback Choices

In this paper, the operational choices in distributed secondary control are examined, and their impacts on grid-forming (GFM) inverters and grid operation are investigated. In particular, the effects of feedback voltage choices, either average voltage feedback (AVF) or terminal voltage feedback (TVF), are studied with respect to reactive power sharing, voltage regulation, and grid-forming operation during black start. The secondary control used is a subgradient-based distributed cooperative control, and it provides the voltage, angle, and frequency references to the GFM inverters and their primary tracking controls. The overall control architecture employs multi-rate sampling such that the secondary control is slower than the primary control. The operational choices and their control performance are illustrated using a four-GFM-inverter microgrid in MATLAB/SIMULINK. Furthermore, the results show the effectiveness of the secondary controller, and several conclusions are drawn on the voltage feedback signals as the design choices.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Two-Stage Approach for PV Inverter Engagement in Power Factor Correction and Voltage Regulation

The rapid integration of distributed energy resources, like solar photovoltaics (PVs), can lead to overvolt-age challenges due to reverse power flow and a noticeable decrease in power factor at the substation interface. While existing literature extensively explores utilizing smart inverter capabilities for reactive power flexibility using a volt-var curve (VVC), obtaining time-varying operating points of such curves in real-time is challenging due to computational demands and communication requirements. Similarly, employing optimization-based approaches for reactive power control and active voltage regulation in large-scale distribution feeders is difficult due to the complexity of the problem and the challenges in effectively engaging customer-owned resources. This paper proposes a two-stage strategy to harness smart inverters for reactive power support. The first stage formulates short-term planning by optimally designing VVCs (on a daily or hourly basis) for large-scale solar PVs based on projected system needs and communicating optimal curves to smart inverters in advance. Subsequently, the second stage employs a transactive-based method to involve customer-owned PVs for reactive power support, effectively enhancing overall system performance and addressing real-time demands. In conclusion, the efficacy of this approach will be demonstrated using real-world distribution circuits provided by Vermont Electric Power Company (VELCO) and Vermont Electric Cooperative (VEC).

Poudel, Shiva [Pacific Northwest National Laborato↗

Group size mediates effects of intraspecific competition and forest structure on productivity in a recovering social woodpecker population

Conservation of endangered social wildlife in disturbance-prone forests is challenging because direct and indirect effects of management strategies developed at the time of species’ listing when population density is low may change under high-density conditions in locally recovered populations. Here, we used piecewise structural equation modeling to evaluate direct and indirect drivers of productivity in the federally endangered cooperatively breeding red-cockaded woodpecker Dryobates borealis (RCW) on Savannah River Site, South Carolina, USA. We estimated direct and indirect relationships among group size, neighboring group sizes, fledgling production, density of cavity tree clusters occupied by RCWs, area satisfying threshold criteria of ≥22 stems ha –1 of pines ≥35.6 cm diameter at breast height (dbh), <1.4 m 2 ha –1 basal area (BA) of hardwoods 7.6–22.9 cm dbh, and <6% hardwood canopy cover, and area treated with prescribed fire, and tested whether group size mediated indirect effects of area satisfying threshold criteria on fledgling production. Increases in area with ≥22 stems ha –1 of pines ≥35.6 cm dbh and <1.4 m 2 ha –1 BA of hardwoods 7.6–22.9 cm dbh, and area treated with prescribed fire, but not area with <6% hardwood canopy cover, had direct positive effects on group size. Group size and area treated with prescribed fire, but not area satisfying threshold criteria, had direct positive effects on fledgling production. The direct effect of neighboring group sizes on fledgling production was negative and smaller relative to the direct positive effect of group size on fledgling production. Overall, our results indicate positive direct effects of group size on fledgling production outweighed negative direct effects of neighboring group sizes, and that group size mediated positive indirect effects of area satisfying structural threshold criteria on fledgling production. These findings indicate that ongoing forest management aimed to increase area with ≥22 pines ha –1 ≥35.6 cm dbh and <1.4 m 2 ha –1 BA of hardwoods 7.6–22.9 cm dbh will promote large group sizes, which in turn improve fledgling production and offset costs of heightened competition with neighboring groups under high-density conditions. Additionally, positive effects of area treated with prescribed fire on RCW group size and fledgling production indicate prescribed fire has unique contributions to woodpecker productivity, likely via direct effects on forest structure and potentially indirect effects on arthropod prey available to foraging RCWs. Furthermore, by simultaneously accounting for multiple drivers of productivity in social wildlife, our study contributes to the understanding of how increases in social wildlife population sizes can alter previously documented habitat-fitness relationships.

prescribed fire↗

CONTROLLED END GAS AUTO IGNITION WITH EXHAUST GAS RECIRCULATION ON A STOICHIOMETRIC, SPARK IGNITED, NATURAL GAS ENGINE

The goal of this study is to address fundamental limitations to achieving diesel-like efficiencies in heavy duty on-highway natural gas (NG) engines. Engine knock and misfire are barriers to pathways leading to higher efficiency engines. This study explores enabling technologies for development of high efficiency stoichiometric, spark ignited, natural gas engines. These include design strategies for fast and stable combustion and higher dilution tolerance. Additionally, advanced control methodologies are implemented to maintain stable operation between knock and misfire limits. To implement controlled end- gas autoignition (C-EGAI) strategies a Combustion Intensity Metric (CIM) is used for ignition control with the use of a Woodward large engine control module (LECM). Tests were conducted using a single cylinder, variable compression ratio, cooperative fuel research (CFR) engine with baseline conditions of 900 RPM, engine load of 800 kPa indicated mean effective pressure (IMEP), and stoichiometric air/fuel ratio. Exhaust gas recirculation (EGR) tests were performed using a custom EGR system that simulates a high pressure EGR loop and can provide a range of EGR rates from 0 to 40%. The experimental measurements included the variance of EGR rate, compression ratio, engine speed, IMEP, and CIM. These five variables were optimized through a Modified Box- Benken design Surface Response Method (RSM), with brake efficiency as the merit function. A positive linear correlation between CIM and f-EGAI was identified. Consequently, CIM was used as the feedback control parameter for C-EGAI. As such, implementation of C-EGAI effectively allowed for the utilization of high EGR rates and CRs, controlling combustion between a narrower gap between knock and lean limits. The change from fixed to parametric ignition timing with CIM targeted select values of f-EGAI with an average coefficient of variance (COV) of peak pressure of 5.4. The RSM efficiency optimization concluded with operational conditions of 1080 RPM, 1150 kPa IMEP, 10.55:1 compression ratio, and 17.8% EGR rate with a brake efficiency of 21.3%. At this optimized point of peak performance, a f-EGAI for C-EGAI was observed at 34.1% heat release due to auto ignition, a knock onset crank angle value of 10.3° aTDC and ignition timing of - 24.7° aTDC. This work has demonstrated that combustion at a fixed f-EGAI can be maintained through advanced ignition control of CIM without experiencing heavy knocking events.

Cooperative Fuel Research Engine, Auto Ignition, E↗

Fuel-air mixing in motored CFR engine at research octane number (RON) relevant condition

This paper presents a three-dimensional (3-D) computational fluid dynamics (CFD) study of a motored cooperative fuel research (CFR) engine at research octane number (RON) relevant condition. The boundary conditions for 3-D simulations were generated with a one-dimensional GT-Power model. For the first time in literature, a carburetor was added to a virtual CFR engine model with 3-D CFD. Therefore, the proposed setup can simulate the fuel and thermal stratifications inside the engine cylinder with realistic detail. The transient simulations in this work were performed within the Reynolds-averaged Navier-Stokes (RANS) framework with a Realizable k-ε turbulence model. Major conclusions from the present work are: (1) The in-cylinder flow of the CFR engine is swirl-dominated due to the existence of the intake valve shroud. (2) There is a significant amount of liquid droplets entering the cylinder during the intake stroke. The maximum instantaneous amount of liquid for 50% PRF 87 (containing 87% iso-octane and 13% n-heptane (v/v)) and 50% ethanol mixture is indicated to be around 26% of total injected fuel mass. (3) The heat of vaporization (HoV) of the fuel is responsible for creating both temperature and charge stratification inside the cylinder.

33 ADVANCED PROPULSION SYSTEMS↗

Pitka's Point/St. Mary's Wind Energy Construction Project. Final report

This is the final report for the St. Mary’s/Pitka’s Point Wind Construction Project. Under the project Alaska Village Electric Cooperative, Inc. (AVEC) constructed and commissioned one new 900 kW-capacity wind turbine at a site in Pitka’s Point about 4 miles from the diesel-fired prime power plant in St. Mary’s. The main objective of this project is to generate electric power from a renewable resource in an effort to reduce the local dependency on fuel oil as the sole source of electric power generation. The wind generator’s output augments the prime source generation provided by the diesel-powered generators.

17 WIND ENERGY↗

Bethel Wind Energy Construction Project. Final report

Final report for the Bethel (Alaska) Wind Construction project. Under this project, Alaska Village Electric Cooperative, Inc. (AVEC) constructed and commissioned one new 900 kW-capacity wind turbine at a site in Bethel about 3.3 miles NE of the diesel-fired prime power plant. The wind generator’s output will augment the prime source generation provided by the diesel-powered generators.

17 WIND ENERGY↗

Molecular dynamics simulations of fission gas xenon (Xe) diffusion at UO 2 grain-boundaries (Rev.1)

The diffusivity of fission gas xenon (Xe) at UO 2 grain-boundaries is one of the most important parameters in mechanistic modeling of fission gas diffusion in UO 2 based nuclear fuels. In this report, we use molecular dynamics simulations to investigate the Xe diffusivity in UO 2 grain-boundaries, employing the many-body potential developed by Cooper, Rushton and Grimes for UO 2 . Three different types of grain-boundaries are investigated, twist Σ5, tilt Σ5, and a random grain-boundary. Diffusion activation energies in the range of 0.39 – 1.46 eV are obtained for the Xe diffusivity. Comparison to results for the uranium vacancy diffusivity from MD simulations employing the same methodology suggests a weak to moderate attractive Xe-uranium vacancy binding energy depending on the grain-boundary type.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Shaktoolik Battery System Construction Project

Alaska Village Electric Cooperative, Inc. (AVEC) and Shaktoolik IRA Tribal Council (Tribe) have created a Tribal Energy Development Organization (TEDO), known as AVEC/Shaktoolik Renewable Energy Joint Venture TEDO (ASRA), for building a community-scale energy storage “grid bridging system” (GBS) for the existing power plant and wind turbines on Tribal Lands in Shaktoolik, Alaska.

25 ENERGY STORAGE↗