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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The separatrix electron density in JET, ASDEX upgrade and alcator C-Mod H-mode plasmas: A common evaluation procedure and correlation with engineering parameters

The separatrix electron density is an important parameter for core-edge scenario integration in tokamak devices, as it influences plasma confinement, divertor detachment and disruption avoidance. This quantity has been measured in H-mode discharges on JET, ASDEX Upgrade and Alcator C-Mod by applying the same fitting function to Thomson scattering measurements, and by employing the same analysis technique based on scrape-off layer power balance. To estimate the power crossing the separatrix, the inter-ELM time derivative of the plasma energy d W /d t has been experimentally evaluated and found to be approximately a constant fraction of the absorbed heating power. Correlations between n e,sep and engineering parameters have been investigated, revealing that n e,sep scales with the divertor neutral pressure p 0,div in a similar manner across all devices. Additionally, when n e,sep is normalized to the obtained n e,sep dependency, no clear correlation with the plasma current is found. These observations are in agreement with the 2-point model, which suggests that the upstream separatrix density is mainly set by the recycling at the divertor target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Grand challenges of wind energy science – meeting the needs and services of the power system

The share of wind power in power systems is increasing dramatically, and this is happening in parallel with increased penetration of solar photovoltaics, storage, other inverter-based technologies, and electrification of other sectors. Recognising the fundamental objective of power systems, maintaining supply–demand balance reliably at the lowest cost, and integrating all these technologies are significant research challenges that are driving radical changes to planning and operations of power systems globally. In this changing environment, wind power can maximise its long-term value to the power system by balancing the needs it imposes on the power system with its contribution to addressing these needs with services. A needs and services paradigm is adopted here to highlight these research challenges, which should also be guided by a balanced approach, concentrating on its advantages over competitors. The research challenges within the wind technology itself are many and varied, with control and coordination internally being a focal point in parallel with a strong recommendation for a holistic approach targeted at where wind has an advantage over its competitors and in coordination with research into other technologies such as storage, power electronics, and power systems.

17 WIND ENERGY↗
DOE OSTI2022

Development of Fixtures and Methods to Assess the Durability of Balance of Systems Components

The degradation of photovoltaic (PV) balance of systems (BoS) components is not well studied, but the consequences include offline modules, strings, and inverters; system shutdown; arc faults; and fires. A utility provider experienced a ~30% failure rate in their power transfer chain, originally attributed to branch connectors. Field-failed specimen assemblies were, therefore, examined, consisting of cable connector, branch connector, and discrete fuse components. In this study, unused field-vintage specimens are examined using a benchtop prototype fixture to identify the most influential environmental stressors on BoS components as well as the effect of external mechanical perturbation. The prototype fixture was used to develop a perturbation capability for future use in the combined-accelerated stress testing chamber. The benchtop experiments were also used to develop the in-situ data acquisition of specimen current, voltage, and temperature. A significant increase in operating temperature (~100 °C from ~40 °C) and a different failure mode (arcing at the metal pins rather than overheating of the fuse filament) were observed promptly once periodic mechanical perturbation was applied. The current at failure was decreased from 35 A (measured for static specimens, with failure occurring in the fuses) to 15 A (for tests with mechanical perturbation, with failure at the male/female metal pin connection). After initial examination using X-ray computed tomography, the external plastic was machined away from failed specimens to allow for failure analysis, including the extraction of the internal convolute springs for morphological examination (optical and electron microscopy). Chemical composition analysis included energy-dispersive X-ray spectroscopy, differential scanning calorimetry, and Fourier transform infrared spectroscopy.

14 SOLAR ENERGY↗
DOE OSTI2022

Metallic Technetium Sequestration in Nickel Core/Shell Microstructure during Fe(OH)2 Transformation with Ni doping

This study investigates the impacts of Ni doping on technetium-99 (Tc) sequestration in aqueous solutions through transformation of Fe(OH)2(s) to iron spinel (magnetite) under alkaline conditions. Extensive solid characterization was performed for the mineral phases produced, as well as the Tc/Ni speciation and distribution within these phases. X-ray diffraction results show that iron spinel was the dominant mineral product without detectable Ni incorporation. The doped Ni ions mainly precipitated as fine Fe/Ni oxide/hydroxide particles, including strongly reduced nanometer?sized spheroidal Ni-rich and metallic Ni phases. High-resolution analytical scanning transmission electron microscopy using energy dispersive X-ray spectroscopy and electron energy loss spectroscopy on the produced solid samples (focused ion beam-prepared specimens) revealed three Tc distribution domains dominated by nanocrystals and, especially, a Tc-rich metallic phase. Instances of metallic Tc were specifically found in spheroidal, Ni-rich and metallic nanoparticles exhibiting a core/shell microstructure that suggests strong reduction and sequential precipitation of Ni-Tc-Ni. Mass balance analysis showed nearly 100% Tc removal from the 4.8 × 10-4 M Tc solutions. The finding of the metallic Tc encapsulation indicates that Tc sequestration through Ni-doped Fe(OH)2(s)?to?iron spinel transformation process likely provides an alternative treatment pathway for Tc removal and could be combined into further waste treatment approaches.

Wang, Guohui↗
DOE OSTI2020

Getting to the Root of Plant–Mediated Methane Emissions and Oxidation in a Thermokarst Bog

Vascular plants are important in the wetland methane cycle, but their effect on production, oxidation, and transport has high uncertainty, limiting our ability to predict emissions. In a permafrost–thaw bog in Interior Alaska, we used plant manipulation treatments, field–deployed planar optical oxygen sensors, direct measurements of methane oxidation, and microbial DNA analyses to disentangle mechanisms by which vascular vegetation affect methane emissions. Vegetation operated on top of baseline methane emissions, which varied with proximity to the thawing permafrost margin. Emissions from vegetated plots increased over the season, resulting in cumulative seasonal methane emissions that were 4.1–5.2 g m –2 season –1 greater than unvegetated plots. Mass balance calculations signify these greater emissions were due to increased methane production (3.0–3.5 g m –2 season –1 ) and decreased methane oxidation (1.1–1.6 g m –2 season –1 ). Minimal oxidation occurred along the plant–transport pathway, and oxidation was suppressed outside the plant pathway. Our data indicate suppression of methane oxidation was stimulated by root exudates fueling competition among microbes for electron acceptors. This contention is supported by the fact that methane oxidation and relative abundance of methanotrophs decreased over the season in the presence of vegetation, but methane oxidation remained steady in unvegetated treatments; oxygen was not detected around plant roots but was detected around silicone tubes mimicking aerenchyma; and oxygen injection experiments suggested that oxygen consumption was faster in the presence of vascular vegetation. In conclusion, root exudates are known to fuel methane production, and our work provides evidence they also decrease methane oxidation.

58 GEOSCIENCES↗
DOE OSTI2021

Population balance modeling of polyurethane foam formation with pressure‐dependent growth kernel

Abstract Polyurethane foams are widely used materials often chosen for their useful characteristics such as low thermal conductivity, ease of application, and high strength‐to‐weight ratios. Computational models are needed to predict the dynamics of the flow and expansion, and the resulting material properties, to improve manufacturing processes. In this paper, a model for PMDI, a water‐blown polyurethane foam, is presented. By extending a kinetics‐based approach by adding bubble‐scale information via a population balance equation (PBE) using the quadrature method of moments, we can track bubble size distributions during foaming. We present results from a three‐dimensional computational fluid dynamics model using arbitrary Lagrangian–Eulerian interface tracking implemented in finite element software. The model compares favorably with experimental data, including dynamics, bubble distributions measured by both camera and diffusion wave spectroscopy, and post‐test bubble size from scanning electron microscopy and density measurements from x‐ray computed tomography.

Ortiz, Weston↗
DOE OSTI2024

Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin–Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy

We introduce an exact-two-component complete active space self-consistent-field (X2C-CASSCF) method formulated under the restricted-magnetic-balance condition. This framework allows for the nonperturbative treatment of static magnetic fields using gauge-including atomic orbitals (GIAOs). The GIAO-X2C-CASSCF methodology effectively captures all microstates within the same 2J + 1-degenerate manifold and their splitting in a static magnetic field, which are not accessible through single-reference-based methods. We also present mathematical recursive expressions for evaluating one-electron relativistic integrals by using GIAOs in the presence of a finite magnetic field. Benchmark studies include oxygen and nitrogen K-edge X-ray magnetic circular dichroism spectroscopy (XMCD) for closed-shell organic compounds, as well as L-edge XMCD spectroscopy for the high-spin open-shell transition metal ion Mn 2+ and the tetrahedral Mn(II)O 4 6– complex.

Chemical calculations↗
DOE OSTI2023

Thermodynamics of Light-Induced Nanoscale Polar Structures in Ferroelectric Superlattices

Here we study the thermodynamics of nanoscale polar structures in PbTiO 3 /SrTiO 3 ferroelectric superlattices induced by above-bandgap optical excitation using a phase-field model explicitly considering both structural and electronic processes. We demonstrate that the light-excited carriers provide the charge compensation of polarization bound charges and the lattice thermal energy, both of which are key to the thermodynamic stabilization of a previously observed supercrystal, a three dimensionally periodic nanostructure, within a window of substrate strains, while different mechanical and electrical boundary conditions can stabilize a number of other nanoscale polar structures by balancing the competing short-range exchange interactions responsible for the domain wall energy and longrange electrostatic and elastic interactions. The insights into the light-induced formation and richness of nanoscale structures from this work offer theoretical guidance for exploring and manipulating the thermodynamic stability of nanoscale polar structures employing a combination of thermal, mechanical, and electrical stimuli as well as light.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Energy Density Aqueous Flow Battery Utilizing Extremely Stable, Branching-Induced High-Solubility Anthraquinone near Neutral pH

An anthraquinone featuring a chiral carboxylate-capped methyl-branched side chain with an ether linkage, 2,2'-((9,10-dioxo-9,10-dihydroanthracene-2,6-diyl)bis(oxy))dipropionic acid (2,6-D2PEAQ), was synthesized and evaluated for use in aqueous redox flow batteries. It was found to have an extraordinary solubility of 2 M (4 M electrons), corresponding to a theoretical volumetric capacity of 107.2 Ah/L for the negative electrolyte, which is 10 times that of its unbranched counterpart. The 2,6-D2PEAQ molecule demonstrated stability against thermal 2 decomposition and was extremely stable under cell cycling conditions. Here, a capacity fade rate of 0.02% day over 14 days was demonstrated in a 1.1 M 2,6-D2PEAQ nearly capacity-balanced cell when paired with a ferro-/ferricyanide posolyte at pH 7. Compared to other aqueous redoxactive organic molecules, its demonstrated fade rate is lower than that of any molecule with a demonstrated volumetric capacity of ≥55 Ah/L, and its volumetric capacity is greater than that of any molecule with a demonstrated fade rate of ≤0.5%/day.

25 ENERGY STORAGE↗
DOE OSTI2025

Optimization of the BDX experiment for Light Dark Matter searches at JLab

The Light Dark Matter (LDM) hypothesis postulates the existence of a new class of sub GeV particles, neutral under Standard Model (SM) interactions. In its simplest form, LDM consists of particles ¿ with masses below 1 GeV/c2, interacting with SM particles via a new force mediated by a light, spin-1 boson A0, commonly referred to as “Dark Photon”. This framework envisions a distinct “Dark Sector” with its own particles and interactions, offering a theoretically well motivated explanation for Dark Matter, consistent with astrophysical observations and a thermal production mechanism. The Beam Dump eXperiment (BDX) is an approved experiment at Jefferson Lab designed to search for Light Dark Matter. BDX will utilize an 11 GeV electron beam impinging on a thick target to produce a forward-boosted secondary beam of Light Dark Matter particles, which will then be detected by a dedicated downstream detector. Approved in 2018, BDX is expected to be commissioned in 2026 and run in 2027-2029. My thesis focuses on the preparatory work to deploy the BDX experiment. The detector design has been optimized to balance practicality with enhanced Light Dark Matter detection capabilities. Extensive characterization of detector components has been performed to ensure a precise understanding of detector response. A custom Monte Carlo framework has been developed to simulate Light Dark Matter signal and explore various theoretical models of interest. Additionally, a comprehensive data analysis framework has been developed to maximize the experiment sensitivity to Light Dark Matter, with optimizations based on expected detector performance. The ultimate goal of this thesis is to optimize BDX as a flagship experiment in Light Dark Matter searches, enabling it to probe different Dark Matter models.

Spreafico, M. [Univ. of Genova (Italy)]↗
DOE OSTI2020

Balancing Charge Transfer and Frenkel Exciton Coupling Leads to Excimer Formation in Molecular Dimers: Implications for Singlet Fission

Photoexcitation of molecular chromophore aggregates can form excimer states that play a significant role in photophysical processes such as charge and energy transfer as well as singlet fission. An excimer state is commonly defined as a superposition of Frenkel exciton and charge transfer states. In this work, we investigate the dynamics of excimer formation and decay in π-stacked 9,10-bis(phenylethynyl)anthracene (BPEA) covalent dimers appended to a xanthene spacer, where the electronic coupling between the two BPEA molecules is adjusted by changing their longitudinal molecular slip distances. Using exciton coupling calculations, we quantify the relative contributions of Frenkel excitons and charge transfer states and find that there is an upper and lower threshold of the charge transfer contribution for efficient excimer formation to occur. In conclusion, knowing these thresholds can aid the design of molecular aggregates that optimize singlet fission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High-performance photonic transformers for DC voltage conversion

Abstract Direct current (DC) converters play an essential role in electronic circuits. Conventional high-efficiency DC voltage converters, especially step-up type, rely on switching operation, where energy is periodically stored within and released from inductors and/or capacitors connected in a variety of circuit topologies. Since these energy storage components, especially inductors, are fundamentally difficult to scale down, miniaturization of switching converters proves challenging. Furthermore, the resulting switching currents produce significant electromagnetic noise. To overcome the limitations of switching converters, photonic transformers, where voltage conversion is achieved through light emission and detection processes, have been demonstrated. However, the demonstrated efficiency is significantly below that of the switching converter. Here we perform a detailed balance analysis and show that with a monolithically integrated design that enables efficient photon transport, the photonic transformer can operate with a near-unity conversion efficiency and high voltage conversion ratio. We validate the theory with a transformer constructed with off-the-shelf discrete components. Our experiment showcases near noiseless operation and a voltage conversion ratio that is significantly higher than obtained in previous photonic transformers. Our findings point to the possibility of a high-performance optical solution to miniaturizing DC power converters and improving the electromagnetic compatibility and quality of electrical power.

42 ENGINEERING↗
DOE OSTI2024

Atomic-scale identification of active sites of oxygen reduction nanocatalysts

Heterogeneous nanocatalysts play a crucial role in both the chemical and energy industries. Despite substantial advancements in theoretical, computational and experimental studies, identifying their active sites remains a major challenge. Here we utilize atomic electron tomography to determine the three-dimensional atomic structure of PtNi and Mo-doped PtNi nanocatalysts for the electrochemical oxygen reduction reaction. We then employ the experimental atomic structures as input to first-principles-trained machine learning to identify the active sites of the nanocatalysts. Through the analysis of the structure–activity relationships, we formulate an equation termed the local environment descriptor, which balances the strain and ligand effects to provide physical and chemical insights into active sites in the oxygen reduction reaction. The ability to determine the three-dimensional atomic structure and chemical composition of realistic nanoparticles, combined with machine learning, could transform our fundamental understanding of the active sites of catalysts and guide the rational design of optimal nanocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Magnetic states of graphene proximitized Kitaev materials

Single-layer α-ruthenium trichloride (α–RuCl 3 ) has been proposed as a potential quantum spin liquid. Graphene/RuCl 3 heterobilayers have been extensively studied with a focus on the large interlayer electron transfer that dopes both materials. Here we examine the interplay between the competing magnetic state of RuCl 3 layer and graphene electronic properties. We perform self-consistent Hartree-Fock calculations on a Hubbard-Kanamori model of the 4d 5 t 2g electrons of α–RuCl 3 and confirm that out-of-plane ferromagnetic and zigzag antiferromagnetic states are energetically competitive. We show that the influence of hybridization between graphene and RuCl 3 bands is strongly sensitive to the magnetic configuration of RuCl 3 and the relative orientations of the two layers. We argue that strong hybridization leads to graphene magnetoresistance and that it may tilt the balance between closely competing magnetic states. Furthermore, Our analysis can be applied to any van der Waals heterobilayer system with weak interlayer hybridization and allows for arbitrary lattice constant mismatch and relative orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ARC-SAFE: Accelerated Response semiconducting Contactors and Surge Attenuation For DC Electrical systems (Final Scientific/Technical Report)

The landscape of power transmission and distribution is quickly evolving as more power conversion is done through power electronics and transmitted or distributed at medium voltage direct current (MVDC). As power electronics tend to store less energy and be less resilient to faults than conventional power transformers, a reliable and fast protection against faults is critical to protect power electronics (PE) based infrastructure, especially for medium- and high-voltage applications. This motivates the development of PE based protection circuits to replace slower contemporary electromechanical breakers. In this project a novel PE based MVDC circuit breaker is developed; the new design is comprised of 1) a normally-on leg made of commercially-available, cascaded SiC junction field effect transistors (JFETs) with a passive balancing network, and 2) a normally-off leg based on an optically-triggered gallium nitride (GaN) photoconductive semiconductor switch (PCSS). The normally-off leg was designed to be quickly turned on, to divert current to an auxiliary dissipative circuit, as the normally-on leg is turned off. This approach, using solid-state devices, was selected for a high-performance, fast-switching operation for the DC circuit breaker as compared to approaches that use slower mechanical switches. To be practical, the circuit breaker must have low conduction loss (low Ron) in the normally-on leg and fast coordinated triggering of the normally-off leg to avoid damage from inductive flyback, which could be considerable for long lengths of cable.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Effect of parallel flow on resonant layer responses in high beta plasmas

Abstract Resonant layers in a tokamak respond to non-axisymmetric magnetic perturbations by amplifying the mode amplitude and balancing the plasma rotation through magnetic reconnection and force balance, respectively. This resonant response can be characterized by local layer parameters and especially by a single quantity in the linear regime, the so-called inner-layer Δ. The computation of Δ under two-fluid drift-MHD formalism has been progressed by reducing the order of the system in the phase space, where the shielding current is approximated as being only carried by electrons, a posteriori . In this study, we relax the approximation and compute Δ accounted for by the parallel flow associated with the ion shielding current. The posteriori is numerically verified in great agreement with the original SLAYER developed in a previous paper (J.-K. Park 2022 Phys. Plasmas 29 072506). Extending the resonant layer response theory to high β plasmas, our research findings answer two important questions: how the parallel flow influences the resonant layer response and why the parallel flow effect appears in high β plasmas. The complicated plasma compression in high β regime allows the parallel flow response to give rise to the ion shielding current, which not only shifts the zero-crossing condition of the ExB flow but also enhances the field penetration threshold. Technically, the Riccati matrix transformation method is adapted to handle the numerical stiffness due to the increased order of the system. The high fidelity of this numerical method makes use of further extension of the model to higher-order systems to take other physical phenomena into account. This work is envisaged to predict the resonant layer response under high β fusion reactor conditions.

Lee, Yeongsun (ORCID:000000034474416X)↗
DOE OSTI2021

Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants with multiple spike mutations enable increased transmission and antibody resistance. We combined cryo–electron microscopy (cryo-EM), binding, and computational analyses to study variant spikes, including one that was involved in transmission between minks and humans, and others that originated and spread in human populations. All variants showed increased angiotensin-converting enzyme 2 (ACE2) receptor binding and increased propensity for receptor binding domain (RBD)–up states. While adaptation to mink resulted in spike destabilization, the B.1.1.7 (UK) spike balanced stabilizing and destabilizing mutations. A local destabilizing effect of the RBD E484K mutation was implicated in resistance of the B.1.1.28/P.1 (Brazil) and B.1.351 (South Africa) variants to neutralizing antibodies. Our studies revealed allosteric effects of mutations and mechanistic differences that drive either interspecies transmission or escape from antibody neutralization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Post-build stress-relief optimization for laser powder bed fusion 316H stainless steel

Nuclear energy remains a critical component of a diversified and efficient energy portfolio, offering reliable, high-capacity, and low-carbon power. However, in the U.S., aging infrastructure and the slow qualification and deployment of advanced materials and manufacturing techniques hinder progress in next-generation reactor technologies. This study explores the application of laser powder bed fusion (LPBF) additive manufacturing for stainless steel 316H, with a focus on optimizing post-build heat treatments to enhance material properties for high-temperature nuclear applications. The research targets the optimization of stress-relief temperatures to alleviate postbuild residual stresses, ensuring improvements in the microstructural corelated properties. A series of microstructural and mechanical evaluations were performed on LPBF-printed SS-316H samples which were subjected to annealing at temperatures varying between 650 °C and 850 °C. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy analyses revealed that increasing the heattreatment temperature accelerated dislocation recovery. Vickers microhardness measurements showed an initial reduction in values, followed by stabilization over extended durations at all the temperatures. While higher temperatures facilitated faster recovery, they also promoted carbide precipitation along grain and solidification cell boundaries, narrowing the safe processing window. In contrast, heat treatment at 650°C preserved the cellular substructure and enabled controlled carbide precipitation over time. In conclusion, these findings highlight the importance of time–temperature optimization and suggest that 650°C for up to 2 h provides the most favorable balance between recovery and carbide control for a stress-relief treatment.

316 stainless steel↗