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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 721 records · Page 40

Cu-Doped Iron Oxide for the Efficient Electrocatalytic Nitrate Reduction Reaction

The electrochemical nitrate reduction reaction (NO 3 RR) is a promising alternative synthetic route for sustainable ammonia (NH 3 ) production, because it not only eliminates nitrate (NO 3 – ) from water but also produces NH 3 under mild operating conditions. However, owing to the complicated eight-electron reaction and the competition from the hydrogen evolution reaction, developing catalysts with high activities and Faradaic efficiencies (FEs) is highly imperative to improve the reaction performance. In this study, Cu-doped Fe 3 O 4 flakes are fabricated and demonstrated to be excellent catalysts for electrochemical conversion of NO 3 – to NH 3 , with a maximum FE of ~100% and an NH 3 yield of 179.55 ± 16.37 mg h –1 mg cat –1 at –0.6 V vs RHE. Here, theoretical calculations reveal that doping the catalyst surface with Cu results in a more thermodynamically facile reaction. These results highlight the feasibility of promoting the NO 3 RR activity using heteroatom doping strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Selective Growth of a Discontinuous Subnanometer Pd Film on Carbon Defects for Li–O 2 Batteries

A high charge overpotential and poor cycle stability are the limiting factors in lithium-oxygen (Li-O 2 ) batteries, causing poor round-trip efficiency and cell failure. Many types of electrocatalysts have been explored to facilitate the oxygen evolution reaction (OER). However, even with the application of catalysts, it is still difficult to achieve stable operation as the carbon electrode (especially the defects) easily undergoes side reactions. To achieve high stability and round-trip efficiency, the rational design of OER catalysts and stable carbon electrodes are required. Herein, we employ a wet impregnation chemistry method to form a thin layer of palladium nanoparticles on the surface of carbon, which largely suppresses the side reaction through a selective coating on the carbon defect sites. Simultaneously, the Pd films serve as an electrocatalyst enabling the OER reaction with a very low overpotential. Overall, this rational design improves overall cell efficiency and extends the cycle life of the lithium-oxygen battery.

25 ENERGY STORAGE↗

Quantum simulation of dissipative processes without reservoir engineering

We present a quantum algorithm to simulate general finite dimensional Lindblad master equations without the requirement of engineering the system-environment interactions. The proposed method is able to simulate both Markovian and non-Markovian quantum dynamics. It consists in the quantum computation of the dissipative corrections to the unitary evolution of the system of interest, via the reconstruction of the response functions associated with the Lindblad operators. Our approach is equally applicable to dynamics generated by effectively non-Hermitian Hamiltonians. We confirm the quality of our method providing specific error bounds that quantify its accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

570 mV photovoltage, stabilized n-Si/CoO x heterojunction photoanodes fabricated using atomic layer deposition

Heterojunction photoanodes, consisting of n-type crystalline Si(100) substrates coated with a thin ~50 nm film of cobalt oxide fabricated using atomic-layer deposition (ALD), exhibited photocurrent-onset potentials of -205 ± 20 mV relative to the formal potential for the oxygen-evolution reaction (OER), ideal regenerative solar-to-O 2 (g) conversion efficiencies of 1.42 ± 0.20%, and operated continuously for over 100 days (~2500 h) in 1.0 M KOH(aq) under simulated solar illumination. The ALD CoO x thin film: (i) formed a heterojunction with the n-Si(100) that provided a photovoltage of 575 mV under 1 Sun of simulated solar illumination; (ii) stabilized Si photoanodes that are otherwise unstable when operated in aqueous alkaline electrolytes; and, (iii) catalyzed the oxidation of water, thereby reducing the kinetic overpotential required for the reaction and increasing the overall efficiency relative to electrodes that do not have an inherently electrocatalytic coating. The process provides a simple, effective method for enabling the use of planar n-Si(100) substrates as efficient and durable photoanodes in fully integrated, photovoltaic-biased solar fuels generators.

14 SOLAR ENERGY↗

Integrated modeling of advanced tokamaks for tearing mode avoidance on DIII-D

Understanding the physics of the onset and evolution of tearing modes (TMs) in tokamak plasmas is crucial for high-performance steady-state operations. The onset condition of (m,n) = (2,1) tearing stability, $Δ′$ > $Δ_c^′$> 0, has been studied in DIII-D steady-state hybrid discharges with accurate equilibrium reconstruction and well-measured plasma profiles. Here, m is the poloidal mode number and n is the toroidal mode number. The onset of n = 1 TMs is carefully identified using the Mirnov array to determine in-phase signals for the onset time and using electron cyclotron emission measurements to trace back from the saturated island width in the experiments for both initial island width and its growth rate. The tearing stability index $Δ′$ at TM onset is calculated in multiple ways, using the modified Rutherford equation and using the PEST-III or resistive DCON magnetohydrodynamic codes, and the results are in reasonable agreement with each other. The calculated $Δ′$ is compared with an analytical formula of the tearing stability threshold $Δ_c^′$ to determine the condition for the mode onset, $Δ′$ > $Δ_c^′$. Finally, the local gradient effect of the plasma current and the pressure profiles on the tearing stability is investigated in terms of the difference between $Δ′$ and $Δ_c^′$ through a series of modeled equilibria with the parametric variations. A database of experimental mode instability onsets is compatible with the simulated regions of instability obtained from the parametric variations.

Linear stability analysis↗

Origin for electrochemically driven phase transformation in the oxygen electrode for a solid oxide cell

The next generation of fuel cells, electrolyzers, and batteries requires higher power, faster kinetics, and larger energy density, which necessitate the use of compositionally complex oxides to achieve multifunctionalities and activity. These compositionally complex oxides may change their phases and structures during an electrochemical process—a so-called “electrochemically driven phase transformation.” The origin for such a phase change has remained obscure. The aim of this paper is to present an experimental study and a theoretical analysis of phase evolution in praseodymium nickelates. Nickelate-based electrodes show up to 60 times greater phase transformation during operation when compared with thermally annealed ones. Theoretical analysis suggests that the presence of a reduced oxygen partial pressure at the interface between the oxygen electrode and the electrolyte is the origin for the phase change in an oxygen electrode. Guided by the theory, the addition of the electronic conduction in the interface layer leads to the significant suppression of phase change while improving cell performance and performance stability.

25 ENERGY STORAGE↗

Quantum process identification: a method for characterizing non-markovian quantum dynamics

Established methods for characterizing quantum information processes do not capture non-Markovian (history-dependent) behaviors that occur in real systems. These methods model a quantum process as a fixed map on the state space of a predefined system of interest. Such a map averages over the system's environment, which may retain some effect of its past interactions with the system and thus have a history-dependent influence on the system. Although the theory of non-Markovian quantum dynamics is currently an active area of research, a systematic characterization method based on a general representation of non-Markovian dynamics has been lacking. In this article we present a systematic method for experimentally characterizing the dynamics of open quantum systems. Our method, which we call quantum process identification (QPI), is based on a general theoretical framework which relates the (non-Markovian) evolution of a system over an extended period of time to a time-local (Markovian) process involving the system and an effective environment. In practical terms, QPI uses time-resolved tomographic measurements of a quantum system to construct a dynamical model with as many dynamical variables as are necessary to reproduce the evolution of the system. Through numerical simulations, we demonstrate that QPI can be used to characterize qubit operations with non-Markovian errors arising from realistic dynamics including control drift, coherent leakage, and coherent interaction with material impurities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modes and Mechanisms of Pacific Decadal-Scale Variability

The modes of Pacific decadal-scale variability (PDV), traditionally defined as statistical patterns of variance, reflect to first order the ocean's integration (i.e., reddening) of atmospheric forcing that arises from both a shift and a change in strength of the climatological (time-mean) atmospheric circulation. While these patterns concisely describe PDV, they do not distinguish among the key dynamical processes driving the evolution of PDV anomalies, including atmospheric and ocean teleconnections and coupled feedbacks with similar spatial structures that operate on different timescales. In this review, we synthesize past analysis using an empirical dynamical model constructed from monthly ocean surface anomalies drawn from several reanalysis products, showing that the PDV modes of variance result from two fundamental low-frequency dynamical eigenmodes: the North Pacific–central Pacific (NP-CP) and Kuroshio–Oyashio Extension (KOE) modes. Both eigenmodes highlight how two-way tropical–extratropical teleconnection dynamics are the primary mechanisms energizing and synchronizing the basin-scale footprint of PDV. While the NP-CP mode captures interannual- to decadal-scale variability, the KOE mode is linked to the basin-scale expression of PDV on decadal to multidecadal timescales, including contributions from the South Pacific.

54 ENVIRONMENTAL SCIENCES↗

MJO CP Tensor Decompositions

SAND2025-14273O MJO CP Tensor Decompositions is a Python tool for computing canonical polyadic (CP) decompositions of MERRA2 observational data to understand the onset and evolution of the Madden-Julian Oscillation (MJO). Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Bull, Diana [Sandia National Lab. (SNL-CA), Liverm↗

Plasma Wall Interaction with 3-D Plasma Boundaries

The interaction of the edge plasma and the material surfaces is one of the most critical challenges on the path to harness fusion power as new, fundamental energy source. This challenge typically combines the thrust to reach high density, low temperature (detached) plasmas in front of the divertor target plates as well as understanding the plasma material interaction (PMI) in particular in this regime. The combination of both research thrusts represents an extraordinarily challenging subject encompassing spatial scales spanning nanometers to meters in all states of matter and across a broad energy range. Modeling capabilities, which help to interpret data from nowadays experiments and enable extrapolation to future devices are urgently required. This is in particular true for toroidal magnetic confinement devices with three-dimensional (3D) plasma boundaries. Such plasma boundary geometries occur in tokamaks, when small amplitude magnetic perturbations are used to stabilize the unruly edge plasma or in stellarators, that are inherently 3D plasma confinement devices. In this project, the impact of 3D plasma boundaries on the plasma material interaction (PMI) was assessed. This work focused on plasma boundary conditions, in which high-density conditions at the material surfaces yield mitigation of the otherwise immense heat and particle loads that these materials would see. These so-called high recycling and eventually detached plasma regimes are of great interest for future reactor operation. In the project, key features that are unique to 3D boundaries were explored in comparison to canonically assumed axisymmetric plasma edge situations in tokamaks. In particular, the relevance of the 3D boundary situation in the extrapolation to the plasma boundary solution at ITER, the next step fusion energy experiment under construction as a multi-national, world-wide large-science experiment in southern France, has been explored. The EMC3-EIRENE plasma edge fluid and kinetic neutral transport code has been advanced to cope with the challenging and unprecedented conditions in the ITER boundary plasma including 3D fields that are planned to be used to suppress harmful edge instabilities, the so-called edge localized modes. This is a vital integration challenge for ITER and the results from this grant have provide a leading capability for this assessment. It was shown that the detachment process in a 3D edge solution for ITER follows the recycling regimes that are known from axisymmetric solutions, but that multiple plasma exhaust channels connected to the material surfaces are established which feature individual recycling characteristics. Because these channels touch the material surfaces in the divertor in a 3D geometry, the compatibility with the plasma material interaction (PMI), including erosion and impurity generation has been found to be an important part of the integration challenge. To address this, the fully 3D plasma material interaction code ERO2 has been adapted to these ITER specific geometries and a homogeneous mixing model was implemented, that allows to consider the mixing of Be and Was used at ITER in the PMI modeling. This model enhancement has been used to study non-local migration of Be in the JET ITER like wall configuration and it has been shown that with this model such complex migration processes in ITER relevant plasma shapes and with ITER relevant plasma boundary conditions can be addressed. The combined modeling approach using EMC3-EIRENE as a plasma boundary transport code and the ERO2 specialized PMI model will be an asset for the continued preparations of ITER operation as well as for Fusion Pilot Plant efforts that have emerged in the U.S. during the evolution of this grant. The predictive capability of this numerical tool has been validated at the DIII-D US national fusion facility. Here, dedicated plasma edge diagnostics were implemented to measure the impurity household around a 3D edge plasma during ELM suppression by 3D fields. Dedicated experiments with local material probes using these diagnostics and the state-of-the-art suite of boundary measurements at DIII-D have shown that the 3D perturbation of the plasma edge that is excreted by such 3D control fields yield a perturbation of the plasma boundary flux structure and hence also of the resulting PMI. The 3D boundary plasma is composed out of helical magnetic flux channels that intersect the divertor targets at an angle relative to the main guiding field, i.e., the toroidal magnetic field component of the tokamak. A similar effect has been measured as well on limiter surfaces during the startup campaign at the new stellarator experiment Wendelstein 7-X. These experiments ad initial analysis with the ERO plasma material interaction model, suggested that the place of erosion for a given particle from the surface and its re-deposition can be different in such 3D field geometries yielding potentially a significant level of net-erosion. This is not the case for axisymmetric solutions, where it was shown in the past that the eroded particles are effectively re-deposited into gaps produced by erosion at the same position and hence the net-erosion levels are small. For ITER, the quest to suppress the ELMs and at the same time maintain the integrity of the divertor is an issue, which these fundamental findings will help to resolve. The coupling of this work to the extrapolation in the ITER program has been addressed by both the PI and the lead numerical scientist being ITER Science Fellows in the duration of the contract and forward. A second focus in the exploration of 3D boundary effects on tokamaks and stellarators has been set on the measurement of helium exhaust features with such 3D fields. This is important because He represents the ash of the fusion process and needs to be exhausted. It was shown that 3D field application compatible with suppression of ELMs yields an increase of the helium exhaust performance. The ratio of the effective helium confinement time over the energy confinement time was reduced by almost 50% which demonstrated that the impact of helium accumulation in the plasma core with respect to the confinement of energy to sustain the fusion reaction is significantly improved with such 3D control fields. It was shown that this is the case for tokamaks as well as stellarators. At the Large helical Device in Japan, a similar enhancement of the helium exhaust features when small amplitude additional 3D fields were applied was measured. This is an important additional function of 3D field application and its impact on ITER is presently being studied in combination with investigations of helium exhaust in 3D field geometries of stellarator devices.

3D plasma edge transport↗

Liquid Abrasive Cutter Power Generation Unit Requirements

This document details the requirements for the purchase of a power generating unit (PGU) for an updated Liquid Abrasive Cutter (LAC) for use in field conditions. The system will provide high pressure water and will be integrated with existing waterjet cutting attachments to cut various materials. The system will be standalone, requiring only water, and electrical energy. Cutting heads, attachments, and a garnet delivery system are not included in this specification. This system is an evolution of the existing LAC (developed at LLNL). The PGU specified herein will have the ability to operate on electrical power via an electric motor, and accept input power from a variety of sources, such as an engine-driven generator, battery pack, solar, shore power, or micro-grid.

42 ENGINEERING↗

Lauric Acid Production in a Glycogen-Less Synechococcus sp. PCC 7002

The cyanobacterium Synechococcus sp. PCC 7002 was genetically engineered to secrete biofuel compatible medium-chain fatty acids during photoautotrophic growth. By introducing a lauroyl-acyl carrier protein (C12:0-ACP) thioesterase to interrupt an endogenous putative acyl- ACP synthetase, secretion of 3-4 mg/L•d transesterifiable C12 was achieved in CO2-supplemented batch cultures. Grown at steady-state over a range of light intensities in an LED photobioreactor operated as a turbidostat, the secreting mutant exhibited a modest reduction in growth rate and increased O2 evolution relative to wildtype. Inhibition of i) glycogen synthesis by deletion of ADP-glucose pyrophosphorylase (AGPase, encoded by glgC) and ii) protein synthesis by nitrogen deprivation were investigated as strategies for metabolite redistribution to fatty acid synthesis. When the modification was introduced into a ?glgC (AGPase-deficient) background, the resulting strain secreted comparable amounts of C12 during nutrient replete growth and no C12 was generated in either background when nitrogen starved. The AGPase- disrupted strains accumulated ten-fold fewer reducing carbohydrates than wildtype during nitrogen deprivation and secreted several types of organic acids consistent with an energy spilling phenotype. At steady-state, the ?glgC modification caused growth rate saturation at a lower light intensity than wildtype backgrounds, but surprisingly, O2 evolution was not compromised on a cellular basis and continued to increase with irradiance. Photophysiological properties of the ?glgC mutant suggest energy dissipation from photosystem II and redox effects to the plastoquinone pool. Implications for further metabolic flux adjustments are discussed.

synechococcus↗

Insights from a Recent Meeting: Current Status and Future Directions in Magnesium Corrosion Research

The United States Department of Energy Vehicle Technologies Office held a Technical Review Meeting entitled “Current Status and Future Directions in Magnesium Corrosion Research” at Oak Ridge National Laboratory in April 2016. Here current funded Mg corrosion projects presented their latest results, along with invited presentations from academic and industrial researchers in the area of Mg corrosion. This paper overviews select topics from the meeting, with an emphasis on relaying meeting discussion points regarding future needs in understanding and mitigating Mg corrosion, particularly for automotive applications. Topics highlighted include the need for pretreatments and coatings suitable for mass vehicle production of Mg components, particularly for dissimilar metal joints involving Mg, Al, or steel, and corrosion evaluation methods more relevant to automotive components and operating conditions. Finally, from a scientific perspective, the need for better fundamental understanding of Mg dissolution, hydrogen evolution, and film formation behavior was a recurring theme, as was phenomena related to microgalvanic coupling involving second phases and impurities in Mg.

33 ADVANCED PROPULSION SYSTEMS↗

Stability analysis of a one-dimensional multiphysics model of a molten salt fast reactor

Reactor designs with a fast neutron spectrum have recently moved into the research focus for possible Generation IV reactor concepts - a representative of which is the molten salt fast reactor (MSFR). In order to assess the safety and reliability of this reactor concept, it is necessary to obtain knowledge of the system behaviour. An important part of this research concerns the dynamical stability of the MSFR. Research regarding the MSFR stability so far has either been using linearized models for stability criteria or only been examining certain transients at fixed parameter values. This work delivers a comprehensive stability analysis for a non-linearized MSFR model, and a wide range of values for all relevant parameters. For this purpose, a one-dimensional MSFR model was set up, taking neutron kinetics and thermal hydraulics in the form of a system of differential equations into account. The stability of this model was investigated by means of the numerical tool MATCONT, which was used to monitor the evolution of a so-called fixed-point solution, here referring to the steady state at operating conditions of the system, while system parameters got varied. The MATCONT analyses showed no loss of stability for any of the considered parameter variations and no solutions that might co-exist in parallel with the steady-state fixed-point solution. Therefore these results indicate a stable fixed point to which all solution transients converge, making the considered MSFR model insusceptible to deviations from the equilibrium. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Chapter 3 - Overview of Reactor Systems and Operational Environments for Structural Materials in Fusion Reactors

This chapter presents an overview of the conditions that structural materials being developed for fusion power reactor applications would encounter. We begin by briefly describing the relevant plasma physics conditions that dictate the fusion environment, which determines the loads driving microstructure evolution of fusion structural alloys. The fundamentals of radiation damage in the fusion environment are discussed, but the reader is referred to a much more detailed treatment of this topic given in Chapter 5. Our intent is to highlight the most important degradation mechanisms operating in the fusion environment. We compare and contrast the fusion environment with that found in existing and proposed advanced fission energy systems, highlighting in particular the role that gaseous and solid transmutation products have on property evolution. The majority of the chapter is devoted to a presentation of the principal structural material choices for major subsystems of a fusion power reactor such as the first-wall/blanket, divertor, and vacuum vessel. Our aim is to highlight the essential features of the material choices for each subsystem, and not to delve into the details, since later chapters address each class of structural material in greater depth. The emphasis is on the implication of the environment to the basic physical and mechanical properties requirements of these materials and challenges they face specific to the fusion environment.

Kurtz, Richard J.↗

Broadband 920-nm mirror thin film damage competition

The 2023 Laser Damage conference thin-film damage competition was devoted to a survey on the state-of-the-art broadband near-IR multilayer dielectric (MLD) mirrors designed for ultra-short pulsed laser applications. The requirements for the coatings were a minimum reflection of 99.5% at 45-deg incidence angle for S-polarization from 830 nm to 1010 nm and group delay dispersion (GDD) < ± 50fs 2 . The participants were allowed to select the coating materials, coating design, and coating deposition method. Samples were damage tested at a single testing facility to enable direct comparison among the participants using a 25 ± 5 fs optical parametric chirped-pulse amplification (OPCPA) laser system operating at 5 Hz. The testing results from this set of 37 samples showed that dense coatings by ion-beam sputtering (IBS), magnetron sputtering (MS), and electron-beam ion assisted deposition (e-beam IAD) exhibited highest damage initiation onset (laser-induced damage threshold or LIDT) while e-beam coatings were low performers. In addition, multilayer coatings using tantala and/or hafnia as high index materials were top performers. Furthermore, this competition included for the first time the measurement of the damage growth onset (laser-induced damage growth threshold or LDGT). This latter performance metric plays an important role in establishing the safe operational conditions for larger aperture ultrashort pulsed lasers. Information pertaining to the morphology of the damage sites and their evolution under subsequent exposure to different laser fluences leading to damage growth is presented. Finally, not all coating samples in the survey met the GDD requirements stated above and associated measurements are discussed in the context of the present and past thin-film damage competitions focused on similar broadband near-IR MLD coatings.

23 broadband high reflectors↗

Baseline Evaluations to Support Control Room Modernization at Nuclear Power Plants

For any major control room modernization activity at a commercial nuclear power plant (NPP) in the U.S., a utility should carefully follow the four phases prescribed by the U.S. Nuclear Regulatory Commission in NUREG-0711, Human Factors Engineering Program Review Model. These four phases include Planning and Analysis, Design, Verification and Validation, and Implementation and Operation. While NUREG-0711 is a useful guideline, it is written primarily from the perspective of regulatory review, and it therefore does not provide a nuanced account of many of the steps the utility might undertake as part of control room modernization. The guideline is largely summative—intended to catalog final products—rather than formative—intended to guide the overall modernization process. In this paper, we highlight two crucial formative sub-elements of the Planning and Analysis phase specific to control room modernization that are not covered in NUREG-0711. These two sub-elements are the usability and ergonomics baseline evaluations. A baseline evaluation entails evaluating the system as-built and currently in use. The usability baseline evaluation provides key insights into operator performance using the control system currently in place. The ergonomics baseline evaluation identifies possible deficiencies in the physical configuration of the control system. Both baseline evaluations feed into the design of the replacement system and subsequent summative benchmarking activities that help ensure that control room modernization represents a successful evolution of the control system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Investigation on temporal evolution of the grain refinement in copper under high strain rate loading via in-situ synchrotron measurement and predictive modeling

Synchrotron X-rays are integrated with a modified Kolsky tension bar to conduct in situ tracking of the grain refinement mechanism operating during the dynamic deformation of metals. Copper with an initial average grain size of 36 μm is refined to 6.3 μm when loaded at a constant high strain rate of 1200 s -1 . The synchrotron measurements revealed the temporal evolution of the grain refinement mechanism in terms of the initiation and rate of refinement throughout the loading test. A multiscale coupled probabilistic cellular automata based recrystallization model has been developed to predict the microstructural evolution occurring during dynamic deformation processes. The model accurately predicts the initiation of the grain refinement mechanism with a predicted final average grain size of 2.4 μm. As a result, the model also accurately predicts the temporal evolution in terms of the initiation and extent of refinement when compared with the experimental results.

36 MATERIALS SCIENCE↗