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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 415 records · Page 23

van der Waals Epitaxy, Superlubricity, and Polarization of the 2D Ferroelectric SnS

Tin monosulfide (SnS) is a two-dimensional layered semiconductor that exhibits in-plane ferroelectric order at very small thicknesses and is of interest in highly scaled devices. Here, in this study, we report the epitaxial growth of SnS on hexagonal boron nitride (hBN) using a pulsed metal-organic chemical vapor deposition process. Lattice matching is observed between the SnS($100$) and hBN{$1\bar{10}$} planes, with no evidence of strain. Atomic force microscopy reveals superlubricity along the commensurate direction of the SnS/hBN interface, and first-principles calculations suggest that friction is controlled by the edges of the SnS islands, rather than interface interactions. Differential phase contrast imaging detects remnant polarization in SnS islands with domains that are not dictated by step-edges in the SnS. The growth of ferroelectric SnS on high quality hBN substrates is a promising step toward electrically switchable ferroelectric semiconducting devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Practical Pathways: Assessing Potential Formats for Arms Control with Russia and China

Building off foundational analyses done previously at the Center for Global Security Research at Lawrence Livermore National Laboratory, this paper takes on two daunting tasks - to outline the security policy objectives for future strategic arms control agreements and to provide recommendations on the potential form of such an agreement. This is the proper moment for such an undertaking. Arms control faces a doubtful future as a viable national security tool. Many proposals – either gradual modifications of existing regimes or revolutionary departures into new domains – made over the past decade no longer fit today’s security environment, one shaped by China’s massive force expansion and Russia’s war in Ukraine. With the new complexities of the two-peer environment and the complete rupture in U.S.-Russian relations, people have valid questions about arms control’s forms and functions. New thinking is needed, shaped by guidance from the past, an analysis of the impasse, a spectrum of the possible, and a realistic assessment of the feasible. If progress is to be made, either before the expiration of the New START Treaty in 2026 or during the subsequent interregnum, a concrete proposal must be agreed within the U.S. interagency and put in front of allies and negotiating partners to serve as the basis for future work.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Local Resistance Measurement for Degradation of c-Si Heterojunction with Intrinsic Thin Layer (HIT) Solar Modules

Silicon heterojunction with intrinsic thin layer (or HIT) modules typically degrade at a rate of less than 1% annually in solar fields with dominant degradation in open-circuit voltage and some degradation in series resistance. However, detailed mechanisms can differ from module to module. Here, we study increases in local series resistance that occur over long-term field deployment, indicated by cell areas where the photoluminescence intensity does not degrade but the electroluminescence degrades significantly. To directly measure the local series resistance, we have cored out the local electroluminescence-degraded area, and we measured the sheet resistance by 4-point-probe and local nm-scale resistance using scanning spreading resistance microscopy (SSRM). The results by 4-point-probe show scattered sheet resistance that can be caused, for example, by nonuniform current paths through the transparent conductive oxide layer, the a-Si:H emitter, or the near-junction c-Si inversion layer. In contrast, the SSRM results indicate a relatively uniform and non-degraded resistivity on smaller nanometer spatial scales. SSRM is an atomic force microscopy-based two-terminal resistance mapping technique that measures the local resistance in nm-volume beneath the probe. The consistent resistances measured on the control and degraded samples can exclude the degradation of transparent conductive oxide resistance.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Dynamical Inference and 3D Imaging of Magnetized Dusty Plasmas

This is the final technical report for this DOE award. The motion of dust particles in a laboratory plasma has been studied for nearly 30 years and has led to the discovery of strongly-coupled crystalline structures and nonequilibrium dynamics governed by gravitational, hydrodynamic, and electrostatic forces. Many of the inter-particle forces are complex; they can be non-reciprocal, and non-additive. Deciphering the mélange of particle interactions has been a challenging task, nevertheless, magnetized dusty plasmas remains an open challenge with limited understanding. With applications ranging from magnetically-confined plasmas for fusion to near-surface planetary environments, this research field is ripe for well-controlled, laboratory experiments and new theoretical tools. In collaboration with the MDPX experiment at Auburn University, this proposal aims to tease apart both the known and unknown forces that drive dusty plasmas in magnetized environments using high-resolution, three-dimensional imaging and particle tracking coupled with modern dynamical inference and machine learning techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Modeling and Optimization of a Nuclear Integrated Energy System for the Remote Microgrid on El Hierro

Nuclear microreactors are a potential technology to provide heat and electricity for remote microgrids. There is potential for the microgrid on the island of El Hierro to use a microreactor, within an integrated energy system (IES), to generate electricity and provide desalinated water. This work proposes a workflow for optimizing and analyzing IESs for microgrids. In this study, an IES incorporating a microreactor, thermal energy storage (TES) system, combined heat and power plant, and a thermal desalination plant was designed, optimized, and analyzed using Idaho National Laboratory’s Framework for Optimization of Resources and Economics (FORCE) toolset. The optimization tool, Holistic Energy Resource Optimization Network (HERON), was used to determine the optimal capacity sizes and dispatch for the reactor and thermal energy storage systems to meet demand. The optimized reactor and TES sizes were found to be 11.61 MWth and 58.47 MWhth, respectively, when optimizing the IES to replace 95% of the island’s existing diesel generation needs. A dynamic model of the system was created in the Modelica language, using models from the HYBRID repository, to analyze and verify the dispatch from the optimizer. The dynamic model was able to meet the ramp rates while maintaining reactor power with minimal control adjustments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Control of multi-agent systems: Results, open problems, and applications

The purpose of this review article is to present some recent results on the modeling and control of large systems of agents. We focus on particular applications where the agents are capable of independent actions instead of simply reacting to external forces. In the literature, such agents were referred to as autonomous, intelligent, self-propelled, greedy, and others. The main applications we have in mind are social systems (as opinion dynamics), pedestrians’ movements (also called crowd dynamics), animal groups, and vehicular traffic. We note that the last three examples include physical constraints; however, the agents are able to inject energy into the system, thus preventing the typical conservation of momentum and energy. In addition, the control problems posed by such systems are new and require innovative methods. We illustrate some ideas developed recently, including the use of sparse controls, limiting the total variation of controls, and defining new control problems for measures. After reviewing various approaches, we discuss some future research directions of potential interest. The latter encompasses both new types of equations and new types of limiting procedures to connect several scales at which a system can be represented. We conclude by illustrating a recent real-life experiment using autonomous vehicles on an open highway to smooth traffic waves. This opens the door to a new era of interventions to control real-time multi-agent systems and to increase the societal impact of such interventions guided by control research.

97 MATHEMATICS AND COMPUTING↗

Enabling "Fuel" Switching through On-Demand Wind Control

This work demonstrates that classical shear-flow stability theory can be successfully applied to modify wind turbine wakes and also explains the success of several emerging, empirically-arrived control methods (i.e., dynamic induction and helix control). Linear stability theory predictions are extended to include the effects of non-axisymmetric inflow profiles, such as wind shear, which is shown to not strongly affect the primary forcing frequency. The predictions, as well as idealized large-eddy simulations using actuator-line representation of the turbine blades, agree that the n = 0 and ±1 modes have faster initial growth rates than higher-order modes, suggesting the lower-order modes are more appropriate for wake control. Exciting the lower-order modes with periodic pitching of the blades produces higher entrainment into the wake and consequently faster wake recovery.

17 WIND ENERGY↗

Review of Wave Energy Converter Power Take-Off Systems, Testing Practices, and Evaluation Metrics: Preprint

While the field of wave energy has been the subject of numerical simulation, scale model testing, and precommercial project testing for decades, wave energy technologies remain in the early stages of development and must continuing proving themselves as a promising modern renewable energy field. One of the difficulties that wave energy systems have been struggling to overcome is the design of highly efficient energy conversion systems that can convert the mechanical power, derived from the oscillation of wave activated bodies, into another useful product. Often the power take-off (PTO) is defined as the single unit responsible for converting mechanical power into another usable form such as electricity, pressurized fluid, compressed air, and others. The PTO, and the entire power conversion chain (PCC), is of great importance as it affects not only how efficient wave power is converted into electricity, but also contributes to the mass, size, structural dynamics, and levelized cost of energy (LCOE) of the wave energy converter (WEC). Unlike wind and solar, there is no industrial standard device, or devices, for wave energy conversion and this diversity is transferred to the PTO system. The majority of current WEC PTO systems incorporate a mechanical or hydraulic drive train, power generator, and an electrical control system. The challenge of WEC PTO designs is designing a mechanical-to-electrical component that can efficiently convert irregular, bi-directional, low frequency and low alternating velocity wave motions. While gross average power levels can be predicted in advance, the variable wave elevation input has to be converted into smooth electrical output and hence usually necessitates some type of energy storage system, such as battery storage, accumulator super capacitors, etc., or other means of compensation such as an array of devices. One of the primary challenges for wave energy converter systems is the fluctuating nature of wave resources, which require WEC components to be designed to handle loads (i.e. torques, forces, and powers) that are many times greater than the average load. This approach requires a much greater PTO capacity than the average power output and indicates a higher cost. In addition, supporting mechanical coupling and or gearing can be added to the PCC to help alleviate the difficulties with transmission and control of fluctuating large loads with low frequencies (indicative of wave forcing) into smaller loads at higher frequencies (optimum for conventional electrical machine design) can quickly increase the complexity of the PCC which could result in a greater number of failure modes and increased maintenance costs. All of the previous points demonstrate how the PTO influences WEC dynamics, reliability, performance and cost which are critical design factors. This paper further explores these topics by providing a review of the state-of-the-art PTO systems currently under development, how these novel PTO systems are tested and derisked prior to precommercial deployment, and the evaluation metrics historically used to differentiate between PTO designs and how they can be improved to support control co-design focused development of wave energy systems.

laboratory testing↗

Controlling extrapolations of nuclear properties with feature selection

Predictions of nuclear properties far from measured data are inherently inaccurate because of uncertainties in our knowledge of nuclear forces and in our treatment of quantum many-body effects in strongly-interacting systems. While the model bias can be directly calculated when experimental data is available, only an estimate can be made in the absence of such measurements. Current approaches to compute the estimated bias quickly lose predictive power when their input variables are taken far from the training region, resulting in uncontrolled uncertainties in applications such as nucleosynthesis simulations. In this letter, we present a novel technique to identify the input variables of machine learning algorithms that can provide robust estimates of model bias. Our process is based on selecting input variables, or features, based on their probability distribution functions across the entire nuclear chart. We illustrate our approach on the problem of quantifying the model bias in nuclear binding energies calculated with Density Functional Theory (DFT). We prove that building model biases with only Z and N as features leads to highly unreliable extrapolations. Conversely, we show that proper feature selection can systematically improve theoretical predictions without increasing uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Downwind control of oceanic air by land: the land wake and its sensitivity to CO 2

Oceans are well-known to be directly altered by global climate forcings such as greenhouse gas changes, but how oceans are indirectly influenced by land and its response to such forcings remains less explored. Here, we assess the present-day and projected future state of a little-explored feature of the climate system—a 'land wake' in relative humidity downwind of the east coast of North America, consisting of low-humidity continental air extending roughly 1000 km over the Atlantic ocean. The wake exists throughout the year, but is supported by high continental temperatures in summer and low continental moisture in winter. The wake is well represented in an ensemble of global climate models (GCMs), qualitatively matching reanalysis data. Under increasing atmospheric CO 2 , the land wake intensifies in GCM simulations through two pathways: the radiative effects of CO 2 on surface temperatures, and the biogeochemical effect of CO 2 on terrestrial vegetation. Vegetation responses to increased CO 2 alter the summer wake from Florida to Newfoundland, and both the radiative and biogeochemical effects of CO 2 drive reductions in coastal cloud cover. These changes illustrate the potential of rapidly changing terrestrial climate to influence coastal regions and the ocean environment downwind of continents through both light conditions and the energy balance of the surface ocean.

54 ENVIRONMENTAL SCIENCES↗

Editors’ Choice—Methods—Pressure Control Apparatus for Lithium Metal Batteries

Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably used in rechargeable batteries. Numerous works have been done to study how to regulate the Li growth in electrochemical cycling by using external stacking forces. While it is widely agreed that stack pressure positively affects the lithium plating/stripping process, the optimized pressure range provided by different works varies greatly because of the difference in the pressure control setup. In this work, a pressure control apparatus is designed for Li metal batteries with liquid and solid-state electrolytes (SSE). With considerations of minimizing cell to cell variation, a reusable split cell and pressure load cell are made for testing electrochemical cells with high precision pressure control. The capability of the designed setup is demonstrated by studying the pressure effect on the Li plating/stripping process.

25 ENERGY STORAGE↗

Deconstructing the Local Intermolecular Ordering and Dynamics of Liquid Chloroform and Bromoform

Local intermolecular structure and dynamics of the polar molecular liquids chloroform and bromoform are studied by molecular dynamics simulation. Structural distribution functions, including 1- and 2-D pair correlations and dipole contour plots allow direct comparison and show agreement with recent analyses of diffraction experiments. Studies of the haloforms’ reorientational dynamics and longevity of structural features resulting from intermolecular interaction extend previous work toward deeper understanding of the factors controlling these features. Analyses of ensemble average structures and dynamical properties isolate mass, electrostatics, and steric packing as driving forces or contributing factors for the observed ordering and dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrasmooth Epitaxial Pt Thin Films Grown by Pulsed Laser Deposition

Platinum (Pt) thin films are useful in applications requiring high-conductivity electrodes with excellent thermal and chemical stability. Ultrasmooth and epitaxial Pt thin films with single-crystalline domains have the added benefit of providing ideal templates for the subsequent growth of heteroepitaxial structures. Here, we grow epitaxial Pt (111) electrodes (ca. 30 nm thick) on sapphire (α-Al 2 O 3 (0001)) substrates with pulsed laser deposition. This versatile technique allows control of the growth process and fabrication of films with carefully tailored parameters. X-ray scattering, atomic-force microscopy, and electron microscopy provide structural characterization of the films. Various gaseous atmospheres and temperatures were explored to achieve epitaxial growth of films with low roughness. A two-step (500 °C/300 °C) growth process was developed, yielding films with improved epitaxy without compromising roughness. The resulting films possess ultrasmooth interfaces (<3 Å) and high electrical conductivity (6.9 × 10 6 S/m). Finally, Pt films were used as current collectors and templates to grow lithium manganese oxide (LiMn 2 O 4 (111)) epitaxial thin films, a cathode material used in Li-ion batteries. In conclusion, using a solid-state ionogel electrolyte, the films were highly stable when electrochemically cycled in the 3.5-4.3 V vs Li/Li + range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fuel Behavior Implications of Reactor Design Choices in Pressurized Water SMRs

Small pressurized water reactors (PWRs) can feature boron free operation, natural circulation mode, reduced height assemblies and/or long refueling cycles. This paper attempts to explore core design optimization for each of these design evolutions. In consequence, five core design layouts are developed incorporating boron free operation with continuous control rods insertion, natural circulation with low burnup/low power density design, natural circulation with high burnup/low power density design, forced circulation with standard core power density design, and forced circulation with high power density design. These cores’ performance is compared to a standard 4-loop PWR. The design process aims to improve the fuel cycle cost under safety constraints through core design optimization using CASMO4E/SIMULATE3 reactor physics codes and FRAPCON4.1 fuel performance assessment tool. Core modeling assumes standard 17x17 PWR fuel assemblies loaded with low enriched uranium (LEU) up to 5wt% or LEU+ (i.e., below 10wt% enrichment) pellets with gadolinium oxide (Gd2O3) as the burnable poison. Satisfactory core and fuel performances are obtained for all the designed cores under steady state and considered overpower transients. For low power density operation, long cycle lengths are achieved reaching a 2.5- and a 5-year cycles and peak rod-average burnup is pushed to 83 MWd/kgU. Other cycle lengths are maintained at 18 months. Boron free operation exhibits the ability to achieve longer cycle lengths at the cost of higher peaking factors leading to high local power and fuel temperatures which prevents sizable power uprates and is deemed uneconomical. Fuel assembly height reduction allows coolant velocity retrofit which enables higher core power density without violating structural integrity of the fuel assembly. As a result, a core power density of 123 kW/l is reached where total cladding hoop strain becomes the limiting parameter.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Resonantly Enhanced Electromigration Forces for Adsorbates on Graphene

We investigate the electromigration forces for weakly bonded adsorbates on graphene by using density-functional based calculations. We find that the nature of electromigration forces on an adsorbate critically depends on the energy level alignment between the adsorbate state and the Fermi level of the graphene. For a resonant adsorbate, whose frontier orbitals lie close to the Fermi level, the electromigration force is dominated by the electron wind force that is strongly enhanced along the electron flow direction, irrespective of the sign of the adsorbate charge. For a nonresonant adsorbate, the electromigration force is essentially the direct force that depends on the adsorbate charge. We also show that the magnitude of electromigration forces can be continuously tunable through electrostatic gating for resonant adsorbates. Our results provide new insight for understanding and controlling how nanoscale objects behave in or on host materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Changes in Aerosols, Meteorology, and Radiation in the Southeastern U.S. Warming Hole Region during 2000 to 2019

Abstract Surface air temperatures in the southeastern United States that did not change from the climatological mean from 1900 to 2000 have increased since the year 2000. Analyzed herein are factors modulating the surface air temperatures in the region for a 20-yr period (2000–19) using space- and surface-based observations, and output from a reanalysis model. The 20-yr period is segregated into two decades, 2000–09 and 2010–19, corresponding to different tropospheric chemical regimes. Changes in seasonal and decadal averages are examined. The later decade experienced higher average surface air temperatures with significant warming during summer and fall seasons. Decadal and seasonal averages of cloud properties, column water vapor, rain rates, and top-of-atmosphere outgoing longwave radiation did not exhibit statistically significant differences between the two decades. The region experienced strong warm and moist advection during the winter months and very weak advection during the summer months. The later decade exhibited higher low-level moisture advection during the winter months than the earlier decade with insignificant changes in the temperature advection between the two decades. The later decade had significantly lower aerosol dry and liquid water mass during all seasons, along with lower aerosol optical depth, higher single scattering albedo, and lower top-of-the-atmosphere outgoing shortwave radiation during cloud-free conditions in the summer season. Collectively, these results suggest that changes in the aerosol direct radiative forcing are responsible for warming during summer months that experience weak advection and highlight seasonal differences in the temperature controlling mechanisms in the region.

54 ENVIRONMENTAL SCIENCES↗

Light-driven nanoscale vectorial currents

Controlled charge flows are fundamental to many areas of science and technology, serving as carriers of energy and information, as probes of material properties and dynamics and as a means of revealing or even inducing broken symmetries. Emerging methods for light-based current control offer particularly promising routes beyond the speed and adaptability limitations of conventional voltage-driven systems. However, optical generation and manipulation of currents at nanometre spatial scales remains a basic challenge and a crucial step towards scalable optoelectronic systems for microelectronics and information science. Here we introduce vectorial optoelectronic metasurfaces in which ultrafast light pulses induce local directional charge flows around symmetry-broken plasmonic nanostructures, with tunable responses and arbitrary patterning down to subdiffractive nanometre scales. Local symmetries and vectorial currents are revealed by polarization-dependent and wavelength-sensitive electrical readout and terahertz (THz) emission, whereas spatially tailored global currents are demonstrated in the direct generation of elusive broadband THz vector beams 17 . We show that, in graphene, a detailed interplay between electrodynamic, thermodynamic and hydrodynamic degrees of freedom gives rise to rapidly evolving nanoscale driving forces and charge flows under the extremely spatially and temporally localized excitation. These results set the stage for versatile patterning and optical control over nanoscale currents in materials diagnostics, THz spectroscopies, nanomagnetism and ultrafast information processing.

36 MATERIALS SCIENCE↗

Fluid-Dynamic Mechanisms Underlying Wind Turbine Wake Control with Strouhal-Timed Actuation

A reduction in wake effects in large wind farms through wake-aware control has considerable potential to improve farm efficiency. This work examines the success of several emerging, empirically derived control methods that modify wind turbine wakes (i.e., the pulse method, helix method, and related methods) based on Strouhal numbers on the O(0.3). Drawing on previous work in the literature for jet and bluff-body flows, the analyses leverage the normal-mode representation of wake instabilities to characterize the large-scale wake meandering observed in actuated wakes. Idealized large-eddy simulations (LES) using an actuator-line representation of the turbine blades indicate that the n=0 and ±1 modes, which correspond to the pulse and helix forcing strategies, respectively, have faster initial growth rates than higher-order modes, suggesting these lower-order modes are more appropriate for wake control. Exciting these lower-order modes with periodic pitching of the blades produces increased modal growth, higher entrainment into the wake, and faster wake recovery. Modal energy gain and the entrainment rate both increase with streamwise distance from the rotor until the intermediate wake. This suggests that the wake meandering dynamics, which share close ties with the relatively well-characterized meandering dynamics in jet and bluff-body flows, are an essential component of the success of wind turbine wake control methods. A spatial linear stability analysis is also performed on the wake flows and yields insights on the modal evolution. In the context of the normal-mode representation of wake instabilities, these findings represent the first literature examining the characteristics of the wake meandering stemming from intentional Strouhal-timed wake actuation, and they help guide the ongoing work to understand the fluid-dynamic origins of the success of the pulse, helix, and related methods.

17 WIND ENERGY↗