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At least 469 records · Page 26

Magnetic damping in ferromagnetic/heavy-metal systems: The role of interfaces and the relation to proximity-induced magnetism

Damping and spin transport in spintronic multilayered systems continues to be a topic of active research. The enhancement of damping in ferromagnet (FM)/spacer layer (SL)/heavy-metal (HM) thin-film systems was studied for Co 25 Fe 75 /SL/Pt with a nonmagnetic (NM) SL of either Au or Cu with variable thickness, in order to understand the correlation with proximity-induced magnetism (PIM) in the HM. Structural, PIM and magnetic damping measurements were undertaken on the same samples. Specifically, secondary ion mass spectroscopy, element specific x-ray magnetic reflectivity and x-ray magnetic circular dichroism at the Pt and Au L 3 edges, and ferromagnetic resonance methods were used. With increasing thickness of a Cu or Au SL directly between the FM and the Pt layer, the Pt PIM and the damping both fall rapidly, with a relationship between damping and PIM that depends on the SL material. The PIM observed in the Au layer showed a complex dependence on the layer thickness, suggesting some hybridization with the Pt. The role of the number and location of interfaces on the damping was demonstrated with the addition of a SL within the Pt layer, which showed that the specific details of the NM/HM interface also affects the damping. The insertion of a Cu SL within the Pt showed a measurable increase in the overall enhancement of the damping while the insertion of a Au SL into Pt had almost no effect on the damping. Finally, together these results demonstrate the role of both PIM and of additional interfaces in the enhancement of damping in FM/HM systems, which is not fully accounted for by existing theory

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Field-Dependent Ionic Conductivities from Generalized Fluctuation-Dissipation Relations

We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with molecular dynamics simulations of solutions of differing ionic strength with implicit solvent conditions and molten salts. These calculations are aided by a novel nonequilibrium statistical reweighting scheme that allows for the conductivity to be computed as a continuous function of the applied field. In strong electrolytes, we find the fluctuations of the ionic current are Gaussian, and subsequently, the conductivity is constant with applied field. In weaker electrolytes and molten salts, we find the fluctuations of the ionic current are strongly non-Gaussian, and the conductivity increases with applied field. Furthermore, this nonlinear behavior, known phenomenologically for dilute electrolytes as the Onsager-Wien effect, is general and results from the suppression of ionic correlations at large applied fields, as we elucidate through both dynamic and static correlations within nonequilibrium steady states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

AIRES-NODE

This software package performs time series forecasting for engineering systems using neural controlled differential equations. Neural controlled differential equations are continuous time analogues to recurrent neural networks. AIRES-NODE is particularly well suited for dynamic systems which are subject to external forcing terms and time-dependent boundary conditions. AIRES-NODE provides an encoder-decoder architecture which allows for variable-length forecasts to be made and is not limited to a fixed time step size when forecasting. Additionally, by utilizing a novel combination of a variational autoencoder and neural controlled differential equations, the AIRES-NODE package is capable of producing probabilistic future forecasts.

Gurecky, William [Oak Ridge National Laboratory (O↗

Evaluation of short-term initial performance of a “Molekule Air” portable air cleaner

The aim of this project was to evaluate and characterize the performance of a MOLEKULE AIR air cleaner unit. The testing protocol comprised the evaluation of an unused Molekule Air unit operating at maximum (“boost” setting) fan speed setting. The device was tested over initial short-term periods of 70-80 h of continuous operation. The tested air cleaner was challenged in separate experiments with a well-characterized mixture of volatile organic compounds (VOCs), and with ozone. All tests were performed at realistic pollutant levels in a 20-m 3 environmental stainless-steel chamber. Variables controlled and measured in this study included the chamber temperature, relative humidity, the composition and concentration of the challenge VOCs, and the concentrations of ozone. Potential formation of byproducts was also investigated to assess the overall performance.

47 OTHER INSTRUMENTATION↗

FORCE-DISPATCHES Integration - Initial Demonstration

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to improve economic viability under uncertain market and weather conditions. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Continuous efforts and investments from the IES programs have been made to expand and improve the versatility of the FORCE toolset in fiscal year 2022. Code-coupling and cross-tool communication have been important methods for improving this versatility. This report focuses on an additional workflow in the HERON tool for capacity and dispatch stochastic optimization through integration with the external tool Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES). DISPATCHES was primarily developed by the National Energy Technology Laboratory, in collaboration with other national laboratories, which included INL, universities, and industry partners. It is coupled to a library of algebraic models for specific plant components, and to a framework for stochastic optimization different from that provided in the current Risk Analysis Virtual Environment (RAVEN)-running-RAVEN algorithm in HERON. HERON currently conducts stochastic optimization via an outer-inner loop: it optimizes over variable capacity on the outer loop, and at each step within the capacity parameter space, conducts an inner optimization over scenarios (of market signals, demand, and/or weather patterns) and hourly dispatch throughout a user-specified number of years. On the other hand, DISPATCHES conducts stochastic optimization via an “all-at-once” strategy in which capacity variables are optimized at the same level as dispatch variables, as all scenarios are considered at once. The latter method works especially well for projects of limited size and project length, as the necessary computational power and memory increases with the number of variables and scenarios. The new capability to use the DISPATCHES workflow in HERON enhances standalone simulations by leveraging FORCE tools—namely, the economic metrics from the Tool for Economic Analysis (TEAL) and reduced-order model (ROM) sampling from RAVEN. The initial demonstration of the DISPATCHES workflow simulates an existing nuclear-case flowsheet within the DISPATCHES repository—this models a NPP with a secondary revenue stream for hydrogen production. Electrical output from the plant is converted to hydrogen via a proton-exchange membrane (PEM) electrolyzer, hydrogen tanks are used for storage, and an additional turbine is added for hydrogen combustion. Continued work regarding this FORCE-DISPATCHES integration will include automatic generation of DISPATCHES models from HERON inputs, offering analysts the option of using either the RAVEN-runsRAVEN or DISPATCHES workflow to solve technoeconomic optimization problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A mixed-integer PDE-constrained optimization formulation for constructing electromagnetic cloaks with multiple materials

We study the design of an electromagnetic cloak from multiple materials with an additional constraint on the mass of the cloak. Our problem is an example of a topology optimization problem, and we formulate this problem as a mixed-integer partial-differential equation constrained optimization (MIPDECO) problem, where Maxwell’s equation models the propagation of the wave through the cloak and surrounding medium. We use binary variables to model the assignment of the different materials, and their relevant properties (permittivity and density). The mass constraint adds a nontrivial constraint to this problem. We propose a two-phase strategy to solve this problem. In the first phase, we solve a continuous relaxation, and then propose a new variant of the feasibility pump that exploits the structure of the PDE to obtain an initial integral solution candidate. In the second phase, we use a trust-region approach to improve this incumbent. We also consider a continuation or mesh-sequencing approach to find better solutions faster on consecutively finer meshes. We present detailed numerical results to illustrate the effectiveness of our approaches for constructing multi-material cloaks with a mass constraint.

Calculus of Variations and Optimization↗

Large Ensemble Exploration of Global Energy Transitions Under National Emissions Pledges

Global climate goals require a transition to a deeply decarbonized energy system. Meeting the objectives of the Paris Agreement through countries' nationally determined contributions and long-term strategies represents a complex problem with consequences across multiple systems shrouded by deep uncertainty. Robust, large-ensemble methods and analyses mapping a wide range of possible future states of the world are needed to help policymakers design effective strategies to meet emissions reduction goals. This study contributes a scenario discovery analysis applied to a large ensemble of 5,760 model realizations generated using the Global Change Analysis Model. Eleven energy-related uncertainties are systematically varied, representing national mitigation pledges, institutional factors, and techno-economic parameters, among others. The resulting ensemble maps how uncertainties impact common energy system metrics used to characterize national and global pathways toward deep decarbonization. Results show globally consistent but regionally variable energy transitions as measured by multiple metrics, including electricity costs and stranded assets. Larger economies and developing regions experience more severe economic outcomes across a broad sampling of uncertainty. The scale of CO 2 removal globally determines how much the energy system can continue to emit, but the relative role of different CO 2 removal options in meeting decarbonization goals varies across regions. Previous studies characterizing uncertainty have typically focused on a few scenarios, and other large-ensemble work has not (to our knowledge) combined this framework with national emissions pledges or institutional factors. Our results underscore the value of large-ensemble scenario discovery for decision support as countries begin to design strategies to meet their goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

SCALE Analyses of Scenarios in the Molten Salt Reactor Fuel Cycle

In support of the US Nuclear Regulatory Commission non-light-water reactor fuel cycle demonstration project, the capabilities of SCALE 6.3.1 for radionuclide characterization, criticality, and shielding were demonstrated through several scenarios in a molten salt reactor (MSR) nuclear fuel cycle. Three scenarios were selected for this study, with the molten salt breeder reactor (MSBR) serving as the reference design. The original thorium-based fuel salt used in MSBR was replaced with a 235 U-enriched fuel salt to better reflect anticipated future MSR concepts. The first scenario focused on the fuel salt preparation stage. Criticality analyses, using SCALE/CSAS-Shift and SCALE/SAMPLER, examined potential critical configurations in the fresh fuel salt container based on variables such as 235 U enrichment, UF 4 molar fraction, temperature, and container geometry. The second scenario explored the release of fission products during reactor operation in which the tritium buildup in the primary fuel salt was quantified through depletion calculations using SCALE/TRITON with continuous fuel makeup and fractional fission product removal. This scenario also assessed radioactivity levels in the off-gas system (OGS), quantifying radiotoxic nuclides that could be released into the environment. SCALE/SAMPLER was employed to perform uncertainty quantification to identify key operating parameters influencing the buildup of radiotoxic nuclides in the OGS. Additionally, radiation dose rates were calculated using SCALE/MAVRIC to estimate the maximum exposure levels within the reactor cell complex during operation. The final scenario evaluated the decay heat and radioactivity of the primary fuel salt collected in the drain tank, as well as the radiation dose rate outside the building from the presence of the drain tank. Overall, the application of SCALE’s various capabilities for radionuclide inventory generation, criticality analysis, and shielding in MSR fuel cycles was successfully demonstrated across these scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Constrained Block Nonlinear Neural Dynamical Models

Neural network modules conditioned by known priors can be effectively trained and combined to represent systems with nonlinear dynamics. This work explores a novel formulation for data-efficient learning of deep control-oriented nonlinear dynamical models by embedding local model structure and constraints. The proposed method consists of neural network blocks that represent input, state, and output dynamics with constraints placed on the network weights and system variables. For handling partially observable dynamical systems, we utilize a state observer neural network to estimate the states of the system's latent dynamics. We evaluate the performance of the proposed architecture and training methods on system identification tasks for three nonlinear systems: a continuous stirred tank reactor, a two tank interacting system, and an aerodynamics body. Models optimized with a few thousand system state observations accurately represent system dynamics in open loop simulation over thousands of time steps from a single set of initial conditions. Experimental results demonstrate an order of magnitude reduction in open-loop simulation mean squared error for our constrained, block-structured neural models when compared to traditional unstructured and unconstrained neural network models.

Skomski, Elliott↗

Beyond carbon flux partitioning: Carbon allocation and nonstructural carbon dynamics inferred from continuous fluxes

Carbon (C) allocation and nonstructural carbon (NSC) dynamics play essential roles in plant growth and survival under stress and disturbance. However, quantitative understanding of these processes remains limited. Here, in this work, we propose a framework where we connect commonly measured carbon cycle components (eddy covariance fluxes of canopy CO 2 exchange, soil CO 2 efflux, and allometry-based biomass and net primary production) by a simple mass balance model to derive ecosystem-level NSC dynamics (NSC i ), C translocation (dC i ), and the biomass production efficiency (BPE i ) in above- and belowground plant (i = agp and bgp) compartments. We applied this framework to two long-term monitored loblolly pine (Pinus taeda) plantations of different ages in North Carolina and characterized the variations of NSC and allocation in years under normal and drought conditions. The results indicated that the young stand did not have net NSC flux at the annual scale, whereas the mature stand stored a near-constant proportion of new assimilates as NSC every year under normal conditions, which was comparable in magnitude to new structural growth. Roots consumed NSC in drought and stored a significant amount of NSC post drought. The above- and belowground dC i and BPE i varied more from year to year in the young stand and approached a relatively stable pattern in the mature stand. The belowground BPE bgp differed the most between the young and mature stands and was most responsive to drought. With the internal C dynamics quantified, this framework may also improve biomass production estimation, which reveals the variations resulting from droughts. Overall, these quantified ecosystem-scale dynamics were consistent with existing evidence from tree-based manipulative experiments and measurements and demonstrated that combining the continuous fluxes as proposed here can provide additional information about plant internal C dynamics. Given that it is based on broadly available flux data, the proposed framework is promising to improve the allocation algorithms in ecosystem C cycle models and offers new insights into observed variability in soil–plant–climate interactions.

54 ENVIRONMENTAL SCIENCES↗

Scattering in black hole backgrounds and higher-spin amplitudes. Part II

We continue to investigate correspondences between, on the one hand, scattering amplitudes for massive higher-spin particles and gravitons in appropriate quantum-to-classical limits, and on the other hand, classical gravitational interactions of spinning black holes according to general relativity. We first construct an ansatz for a gravitational Compton amplitude, at tree level, constrained only by locality, crossing symmetry, unitarity and consistency with the linearized-Kerr 3-point amplitude, to all orders in the black hole’s spin. We then explore the extent to which a unique classical Compton amplitude can be identified by comparing with the results of the classical process of scattering long-wavelength gravitational waves off an exact Kerr black hole, determined by appropriate solutions of the Teukolsky equation. Up to fourth order in spin, we find complete agreement with a previously conjectured exponential form of the tree-level Compton amplitude. At higher orders, we extract tree-level contributions from the Teukolsky amplitude by an analytic continuation from a physical (a/GM < 1) to a particle-like (a/GM > 1) regime. Up to the sixth order in spin, we identify a unique conservative part of the amplitude which is insensitive both to the choice of boundary conditions at the black hole horizon and to branch choices in the analytic continuation. The remainder of the amplitude is determined modulo an overall sign from a branch choice, with the sign flipping under exchanging purely ingoing and purely outgoing boundary conditions at the horizon. Along the way, we make contact with novel applications of massive spinor-helicity variables pertaining to their relation to EFT operators and (spinning) partial amplitudes.

79 ASTRONOMY AND ASTROPHYSICS↗

Changing Trends in Drought Patterns over the Northeastern United States Using Multiple Large Ensemble Datasets

Since the infamous extreme drought of the 1960s, the climate of the northeastern United States (NEUS) has generally trended toward warmer and wetter conditions. Nonetheless, there is mounting evidence that short-term droughts will continue to pose a significant risk for this region. To better explore the processes governing events such as these, climate models have adopted more complex representations of the fully coupled atmosphere–land–ocean–sea ice system; however, large uncertainties in future projections still persist, with internal variability necessitating large ensembles to understand trends in both rare and high-impact extreme events such as rapidly developing droughts (a term here that includes flash droughts developing on monthly scales). In this study, seven large ensemble (LE) models are employed to answer the outstanding question: How are the frequency and character of drought in the NEUS changing under a warming climate? We find that most LE models indicate the NEUS will experience a long-term wetting trend with more “extremely wet” months, but also more frequent short-term extreme droughts. These changes are associated with increasing precipitation, atmospheric water demand, and climate variability. We also conclude that discrepant trends in precipitation and evapotranspiration variability will lead to increasing anticorrelation of these variables, which is relevant to the intensification of rapidly developing drought, particularly in the spring season. These changes are associated with an increase in evapotranspiration from plants, brought by an earlier emergence of the growing season and denser vegetation.

54 ENVIRONMENTAL SCIENCES↗

Modeling Photovoltaics Innovation and Deployment Dynamics

PV’s historically rapid cost reduction is exceptional among technologies. Further cost reductions could play a major role in increasing deployment in the future. To enable such cost reductions, new modeling frameworks are needed to understand the determinants of innovation in PV. In this project, we study the mechanisms driving PV module and system cost reductions, delving deeply into the specific technological innovations that have occurred in the past and the policies that encouraged them, and also opportunities for future cost reduction and widespread deployment. The project contributes new fundamental insight on the determinants of technological innovation by developing novel methods and insights that are generalizable and can therefore be applied to other technologies. The results will allow policy makers, engineers, and other stakeholders to better prioritize their efforts and investments in the future. The project is organized around four journal articles as described below. The first article [1] identifies ‘low-level’ (e.g. conversion efficiency improvement) and ‘high- level’ (e.g. R&D efforts) mechanisms of cost reduction in PV systems (Tasks 1-4). This work builds on a previous DOE grant, where we developed a framework for technological innovation leading to PV module cost reduction [2]. We advance a method to disentangle the contributions of physical (‘hardware’) and non-physical (‘soft technology’) changes. Our results uncover reasons behind the relatively slow evolution of soft technology and can inform new innovation approaches to these technologies. The second article [3] identifies specific engineering or institutional innovations that enabled the low-level mechanisms of cost reduction in PV module and balance-of-systems (BOS) (Tasks 5, 9, 10). We identify 85 innovations and connect them to the cost variables they affected. By developing an innovations typology, this study shows the differences between the types of innovations affecting PV modules and BOS components. Finally, by analyzing the industry origins of innovations, this study also finds that PV was well-positioned within an ecosystem of continuously advancing technologies. The third article [4] studies prospective cost reduction opportunities (Task 10). We explore how design approaches that emphasize standardization and automation, such as plug-and-play PV systems, can create cost reduction opportunities by reducing interactions and speeding up activities with high process costs. We show that this can lead to cost reduction in cost components with the most untapped opportunity for improvement such as installation labor, overhead, electrical BOS, and customer acquisition. The fourth article [5] analyzes how various policies supporting PV deployment and R&D contributed to PV’s cost improvement by enabling high-level mechanisms, specific innovations, and ultimately low-level mechanisms of cost reduction (Tasks 8, 13, 14). We investigate examples from different countries and connect these policies to quantifiable cost change mechanisms. Our study sheds light on the roles that different nations played over time, through a diverse set of policy approaches.

14 SOLAR ENERGY↗

Laboratory Heat Flux Estimates of Seawater Foam for Low Wind Speeds

Laboratory experiments were conducted to measure the heat flux from seafoam continuously generated in natural seawater. Using a control volume technique, heat flux was calculated from foam and foam-free surfaces as a function of ambient humidity (ranged from 40% to 78%), air–water temperature difference (ranged from -9 °C to 0 °C), and wind speed (variable up to 3 m s-1). Water-surface skin temperature was imaged with a calibrated thermal infrared camera, and near-surface temperature profiles in the air, water, and foam were recorded. Net heat flux from foam surfaces increased with increasing wind speed and was shown to be up to four times greater than a foam-free surface. The fraction of the total heat flux due to the latent heat flux was observed for foam to be 0.75, with this value being relatively constant with wind speed. In contrast, for a foam-free surface the fraction of the total heat flux due to the latent heat flux decreased at higher wind speeds. Temperature profiles through foam are linear and have larger gradients, which increased with wind speed, while foam free surfaces show the expected logarithmic profile and show no variation with temperature. The radiometric surface temperatures show that foam is cooler and more variable than a foam-free surface, and bubble-resolving thermal images show that radiometrically transparent bubble caps and burst bubbles reveal warm foam below the cool surface layer, contributing to the enhanced variability.

54 ENVIRONMENTAL SCIENCES↗

Symmetry Determining Equations of the Rankine-Hugoniot Equations for Variable Velocity Shock Waves

The “constant velocity piston” problem (Fig. 1), also known as the “piston problem,” is a standard model for a one dimensional, in our case linear, symmetric shock wave moving through an inviscid, perfect gas. The model can be divided into two regions - a perturbed section on the left and an unperturbed section on the right - by a moving shock wave moving left to right. Both the perturbed and unperturbed sections, i.e. the shocked and unshocked regions, respectively, obey the Eulerian conservation equations; however, at the exact location of the shock, there is a mathematical discontinuity not satisfied by the Euler equations. To ensure continuity and conservation of certain quantities when crossing between the unshocked and shocked regions, we evoke a series of equations derived from the Eulerian conservation equations, called the Rankine-Hugoniot equations, or “jump” equations as it is often referred to in the literature on the topic. The classical constant-velocity piston problem assumes the piston features a constant driving velocity (among many other willing suspensions of belief required in the pursuit of a first principles equation model); consequent to this assumption is a constant-velocity shock and a constant-velocity shocked flow state. However, using Lie Group Theory (LGT), also known as symmetry analysis, we can attempt to reinterpret the model with a shock wave of variable velocity in time and space. An extension of the model in this way opens up the possibility for obtaining new analytical solutions to the piston problem for certain shock velocity models. In this report, we use LGT to derive the symmetry determining equations (SDEs), whose solutions are Lie groups, which permit analytical solutions. In the future, we can then use the SDEs to define constraint equations on the shock velocity model and what the successive solutions to the Euler equations might be based off such constraints. This report is structured as follows: Section 2 provides a brief derivation of the Rankine-Hugoniot (“jump”) equations; Section 3 gives an overview of Lie group theory; Section 4 derives the SDEs of the jump equations; Section 5 derives the Euler conservation equations for fluids; and Section 6 presents concluding remarks and opportunities for future studies.

42 ENGINEERING↗

Orbital Motion, Variability, and Masses in the T Tauri Triple System

We present results from adaptive optics imaging of the T Tauri triple system obtained at the Keck and Gemini Observatories in 2015−2019. We fit the orbital motion of T Tau Sb relative to Sa and model the astrometric motion of their center of mass relative to T Tau N. Using the distance measured by Gaia, we derived dynamical masses of M{sub Sa}=2.05±0.14 M {sub ⊙} and M {sub Sb} = 0.43 ± 0.06 M{sub ⊙}. The precision in the masses is expected to improve with continued observations that map the motion through a complete orbital period; this is particularly important as the system approaches periastron passage in 2023. Based on published properties and recent evolutionary tracks, we estimate a mass of ∼2 M {sub ⊙} for T Tau N, suggesting that T Tau N is similar in mass to T Tau Sa. Narrowband infrared photometry shows that T Tau N remained relatively constant between late 2017 and early 2019 with an average value of K = 5.54 ± 0.07 mag. Using T Tau N to calibrate relative flux measurements since 2015, we found that T Tau Sa varied dramatically between 7.0 and 8.8 mag in the K band over timescales of a few months, while T Tau Sb faded steadily from 8.5 to 11.1 mag in the K band. Over the 27 yr orbital period of the T Tau S binary, both components have shown 3–4 mag of variability in the K band, relative to T Tau N.

79 ASTRONOMY AND ASTROPHYSICS↗

On the emerging potential of quantum annealing hardware for combinatorial optimization

Abstract Over the past decade, the usefulness of quantum annealing hardware for combinatorial optimization has been the subject of much debate. Thus far, experimental benchmarking studies have indicated that quantum annealing hardware does not provide an irrefutable performance gain over state-of-the-art optimization methods. However, as this hardware continues to evolve, each new iteration brings improved performance and warrants further benchmarking. To that end, this work conducts an optimization performance assessment of D-Wave Systems’ Advantage Performance Update computer, which can natively solve sparse unconstrained quadratic optimization problems with over 5,000 binary decision variables and 40,000 quadratic terms. We demonstrate that classes of contrived problems exist where this quantum annealer can provide run time benefits over a collection of established classical solution methods that represent the current state-of-the-art for benchmarking quantum annealing hardware. Although this work does not present strong evidence of an irrefutable performance benefit for this emerging optimization technology, it does exhibit encouraging progress, signaling the potential impacts on practical optimization tasks in the future.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗