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At least 649 records · Page 36

Feedforward equilibrium trajectory optimization with GSPulse

One of the common tasks required for designing new plasma scenarios or evaluating capabilities of a tokamak is to design the desired equilibria using a Grad-Shafranov (GS) equilibrium solver. However, most standard equilibrium solvers are time-independent and do not include dynamic effects such as plasma current flux consumption, induced vessel currents, or voltage constraints. Another class of tools, plasma equilibrium evolution simulators, do include time-dependent effects. These are generally structured to solve the forward problem of evolving the plasma equilibrium given feedback-controlled voltages. In this work, we introduce GSPulse, a novel algorithm for equilibrium trajectory optimization, that is more akin to a pulse planner than a pulse simulator. GSPulse includes time-dependent effects and solves the inverse problem: given a user-specified set of target equilibrium shapes, as well as limits on the coil currents and voltages, the optimizer returns trajectories of the voltages, currents, and achievable equilibria. This task is useful for scoping performance of a tokamak and exploring the space of achievable pulses. The computed equilibria satisfy both Grad-Shafranov force balance and axisymmetric circuit dynamics. The optimization is performed by restructuring the free-boundary equilibrium evolution equations into a form where it is computationally efficient to optimize the entire dynamic sequence. GSPulse can solve for hundreds of equilibria simultaneously within a few minutes. GSPulse has been validated against NSTX-U and MAST-U experiments and against SPARC feedback control simulations, and is being used to perform scenario design for SPARC. The computed trajectories can be used as feedforward inputs that are connected to the feedback controller to inform and improve feedback performance. The code for GSPulse is available open-source at github.com/jwai-cfs/GSPulse_public.

equilibrium↗

Changing Characteristics of Tropical Extreme Precipitation–Cloud Regimes in Warmer Climates

In this study, we investigated the changing characteristics of climatic scale (monthly) tropical extreme precipitation in warming climates using the Energy Exascale Earth System Model (E3SM). The results are from Atmospheric Model Intercomparison Project (AMIP)-type simulations driven by (a) a control experiment with the present-day sea surface temperature (SST) and CO 2 concentration, (b) P4K, the same as in (a) but with a uniform increase of 4K in the SST globally, and (c) the same as in (a), but with an imposed SST and CO 2 concentration from the outputs of the coupled E3SM forced by a 4xCO 2 concentration. We found that as the surface warmed under P4K and 4xCO 2 , both convective and stratiform rain increased. Importantly, there was an increasing fractional contribution of stratiform rain as a function of the precipitation intensity, with the most extreme but rare events occurring preferentially over land more than the ocean, and more so under 4xCO 2 than P4K. Extreme precipitation was facilitated by increased precipitation efficiency, reflecting accelerated rates of recycling of precipitation cloud water (both liquid and ice phases) in regions with colder anvil cloud tops. Changes in the vertical profiles of clouds, condensation heating, and vertical motions indicate increasing precipitation–cloud–circulation organization from the control and P4K to 4xCO 2 . The results suggest that large-scale ocean warming, that is, P4K, was the primary cause contributing to an organization structure resembling the well-known mesoscale convective system (MCS), with increased extreme precipitation on shorter (hourly to daily) time scales. Additional 4xCO 2 atmospheric radiative heating and dynamically consistent anomalous SST further amplified the MCS organization under P4K. Analyses of the surface moist static energy distribution show that increases in the surface moisture (temperature) under P4K and 4xCO 2 was the key driver leading to enhanced convective instability over tropical ocean (land). However, a fast and large increase in the land surface temperature and lack of available local moisture resulted in a strong reduction in the land surface relative humidity, reflecting severe drying and enhanced convective inhibition (CIN). It is argued that very extreme and rare “record-breaking” precipitation events found over land under P4K, and more so under 4xCO 2 , are likely due to the delayed onset of deep convection, that is, the longer the suppression of deep convection by CIN, the more severe the extreme precipitation when it eventually occurs, due to the release of a large amount of stored surplus convective available potential energy in the lower troposphere during prolonged CIN.

54 ENVIRONMENTAL SCIENCES↗

Controlling dendrite propagation in solid-state batteries with engineered stress

Metal-dendrite penetration is a mode of electrolyte failure that threatens the viability of metal-anode-based solid-state batteries. Whether dendrites are driven by mechanical failure or electrochemical degradation of solid electrolytes remains an open question. If internal mechanical forces drive failure, superimposing a compressive load that counters internal stress may mitigate dendrite penetration. Here, we investigate this hypothesis by dynamically applying mechanical loads to growing dendrites in Li 6.6 La 3 Zr 1.6 Ta 0.4 O 12 solid electrolytes. Operando microscopy reveals marked deflection in the dendrite growth trajectory at the onset of compressive loading. For sufficient loading, this deflection averts cell failure. Using fracture mechanics, we quantify the impact of stack pressure and in-plane stresses on dendrite trajectory, chart the residual stresses required to prevent short-circuit failure, and propose design approaches to achieve such stresses. For the materials studied here, we show that dendrite propagation is dictated by electrolyte fracture, with electronic leakage playing a negligible role.

25 ENERGY STORAGE↗

Substrate-Controlled Electronic Properties of Perovskite Layer in Lateral Heterojunction Configuration

In this work, we fabricated halide perovskite-based lateral heterojunction devices with nickel oxide/titanium oxide all back contacts, allowing us to access the perovskite surface directly for analysis with various advanced techniques, including ultraviolet and X-ray photoemission spectroscopy (UPS/XPS), Kelvin probe force microscopy (KPFM), and surface photovoltage (SPY), to discern the role of selective contacts. Specifically, by tuning of the selectivity of the contacts, e.g., through varying the level of nickel oxidation, we show that the selectivity of the contacts induces a gradient in carrier concentration across the surface of the active layer that is connected to carrier extraction at the buried interface and hence to device functionality.

carrier concentration↗

Controlling structural phases of Sn through lattice engineering

Topology and superconductivity, two distinct phenomena, offer unique insight into quantum properties and their applications in quantum technologies, spintronics, and sustainable energy technologies. Tin (Sn) plays a pivotal role here as an element because of its two structural phases, α-Sn exhibiting topological characteristics and β-Sn showing superconductivity. Here, we demonstrate precise control of these phases in Sn thin films using molecular beam epitaxy with systematically varied lattice parameters of the buffer layer. The Sn films exhibit either β-Sn or α-Sn phases as the buffer layer's lattice constant varies from 6.10 Å to 6.48 Å, spanning the range from GaSb (like InAs) to InSb. Further, the crystal structures of α- and β-Sn films are characterized by x-ray diffraction and confirmed by Raman spectroscopy and scanning transmission electron microscopy. Atomic force microscopy validates the smooth, continuous surface morphology. Electrical transport measurements further verify the phases: resistance drop near 3.7 K for β-Sn superconductivity and Shubnikov-de Haas oscillations for α-Sn topological characteristics. Density functional theory shows that α-Sn is stable under tensile strain and β-Sn under compressive strain, aligning well with experimental findings. Hence, this study introduces a platform controlling Sn phases through lattice engineering, enabling innovative applications in quantum technologies and beyond.

36 MATERIALS SCIENCE↗

Tailoring the Weight of Surface and Intralayer Edge States to Control LUMO Energies

Abstract The energies of the frontier molecular orbitals determine the optoelectronic properties in organic films, which are crucial for their application, and strongly depend on the morphology and supramolecular structure. The impact of the latter two properties on the electronic energy levels relies primarily on nearest‐neighbor interactions, which are difficult to study due to their nanoscale nature and heterogeneity. Here, an automated method is presented for fabricating thin films with a tailored ratio of surface to bulk sites and a controlled extension of domain edges, both of which are used to control nearest‐neighbor interactions. This method uses a Langmuir–Schaefer‐type rolling transfer of Langmuir layers (rtLL) to minimize flow during the deposition of rigid Langmuir layers composed of π‐conjugated molecules. Using UV–vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy, it is shown that the rtLL method advances the deposition of multi‐Langmuir layers and enables the production of films with defined morphology. The variation in nearest‐neighbor interactions is thus achieved and the resulting systematically tuned lowest unoccupied molecular orbital (LUMO) energies (determined via square‐wave voltammetry) enable the establishment of a model that functionally relates the LUMO energies to a morphological descriptor, allowing for the prediction of the range of accessible LUMO energies.

36 MATERIALS SCIENCE↗

Influence of acid leaching surface treatment on indentation cracking of soda lime silicate glass

Past work has shown that water or acid soaking treatments can increase the mechanical strength of soda lime silicate (SLS) glasses. In this work, we show that acid leaching treatments result in an increase in the apparent crack resistance of the acid-leached surface of SLS glass during indentation. Vickers indentation tests in controlled environments show a humidity dependence of radial cracking, suggesting that the transport of water through the leached layer plays a critical role in the propagation of cracks to the glass surface. Here, molecular dynamics simulations with reactive force fields indicate that the leached surface layer can undergo pressure-induced mechanochemical reactions during indentation, which increases the bridging oxygen connectivity in the silica network of the leached layer. Such structural changes can hinder transport of water molecules from the environment to the subsurface crack tip. Based on experimental observations and simulation results, a new hypothesis is proposed that mechanochemical restructuring in the leached layer in response to the applied load may lower the transport kinetics of molecular water to critical flaws, resulting in an apparent enhancement in the crack resistance of the acid-leached surface of SLS glass.

36 MATERIALS SCIENCE↗

Numerical Analysis of Offshore Wind-Farm-Induced Drag Effects on Coastal Upwelling Dynamics

Wind farms extract momentum from the atmospheric flow, generating wind-speed deficits both within the plant, and extending downstream. When located offshore, these deficits modulate air-sea coupling, potentially impacting coastal upwelling in sensitive regions. We investigate impacts of wind farms on coastal upwelling using kilometre-scale, three-way-coupled simulations with the coupled ocean-atmosphere-wave-sediment transport system for the US West Coast. Wind-farm effects are represented by a generalised turbine drag formulation, an idealised, height-dependent body force whose magnitude is systematically varied. This approach isolates the leading-order fluid-dynamical response in a realistic coastal configuration. The atmospheric adjustment exhibits an approximately linear relation between drag force and wind-speed deficit, with wakes that expand downstream and increase in magnitude as drag increases. An empirical orthogonal function analysis of sea-surface-temperature anomalies reveals the emergence of a canonical dipole pattern under strong drag forcing. Subsurface diagnostics show consistent shoaling of the mixed layer and suppressed upward velocities in areas near wind-farm region, accompanied by compensating enhancements of shoaling closer to the coast. These results identify turbine drag as a control parameter in assessing interactions between wind-farm wake and coastal upwelling and provide scaling relationships for understanding offshore wind-farm effects on the coastal circulation dynamics.

16 TIDAL AND WAVE POWER↗

The Energy Exascale Earth System Model Version 3: 2. Overview of the Coupled System

The Energy Exascale Earth System Model version 3 (E3SMv3) represents the latest advancement in Earth system modeling developed by the U.S. Department of Energy (DOE). Building upon previous versions, E3SMv3 introduces significant updates across its coupled components to enhance capability and improve fidelity. The atmosphere component incorporates advancements in chemistry, aerosol-cloud interactions, convection, and microphysics. The ocean features a new time-stepping scheme and a higher-resolution unstructured mesh with sub-ice-shelf cavities, while the sea ice model integrates advanced snow and ice physics for more realistic cryospheric simulations. The land model introduces prognostic vegetation dynamics and a new sub-grid topographic treatment of solar radiation. A new tri-grid configuration harmonizes the horizontal grids of the land and river components for improved process coupling. It is enabled by a new non-linear remapping between the atmosphere and land. E3SMv3 underwent extensive testing through a comprehensive simulation campaign, including pre-industrial control, idealized CO 2 experiments, and historical simulations spanning 1850–2024. The model demonstrates significant improvements in simulating the evolution of the historical surface temperature, particularly addressing the “pothole cooling” bias in earlier versions. Reduced aerosol-related forcing contributes to more realistic radiative forcing and better alignment with the observational record. Ocean heat content (OHC) and sea ice trends are also improved as a result.

54 ENVIRONMENTAL SCIENCES↗

Maskless Fourier transform holography

Fourier transform holography is a lensless imaging technique that retrieves an object's exit-wave function with high fidelity. It has been used to study nanoscale phenomena and spatio-temporal dynamics in solids, with sensitivity to the phase component of electronic and magnetic textures. However, the method requires an invasive and labor-intensive nanopatterning of a holography mask directly onto the sample, which can alter the sample properties, forces a fixed field-of-view, and leads to a low signal-to-noise ratio at high resolution. In this work, we propose using wavefront-shaping diffractive optics to create a structured probe with full control of its phase at the sample plane, circumventing the need for a mask. We demonstrate in silico that the method can image nanostructures and magnetic textures and validate our approach with a visible light-based experiment. The method enables investigation of a plethora of phenomena at the nanoscale including magnetic and electronic phase coexistence in solids, with further uses in soft and biological matter research.

Keskinbora, Kahraman↗

Foundations of Rigorous Cyber Experimentation

This report presents the results of the “Foundations of Rigorous Cyber Experimentation” (FORCE) Laboratory Directed Research and Development (LDRD) project. This project is a companion project to the “Science and Engineering of Cyber security through Uncertainty quantification and Rigorous Experimentation” (SECURE) Grand Challenge LDRD project. This project leverages the offline, controlled nature of cyber experimentation technologies in general, and emulation testbeds in particular, to assess how uncertainties in network conditions affect uncertainties in key metrics. We conduct extensive experimentation using a Firewheel emulation-based cyber testbed model of Invisible Internet Project (I2P) networks to understand a de-anonymization attack formerly presented in the literature. Our goals in this analysis are to see if we can leverage emulation testbeds to produce reliably repeatable experimental networks at scale, identify significant parameters influencing experimental results, replicate the previous results, quantify uncertainty associated with the predictions, and apply multi-fidelity techniques to forecast results to real-world network scales. The I2P networks we study are up to three orders of magnitude larger than the networks studied in SECURE and presented additional challenges to identify significant parameters. The key contributions of this project are the application of SECURE techniques such as UQ to a scenario of interest and scaling the SECURE techniques to larger network sizes. This report describes the experimental methods and results of these studies in more detail. In addition, the process of constructing these large-scale experiments tested the limits of the Firewheel emulation-based technologies. Therefore, another contribution of this work is that it informed the Firewheel developers of scaling limitations, which were subsequently corrected.

97 MATHEMATICS AND COMPUTING↗

X-ray Multilayers for Next-Generation Astrophysics Missions

In this work, we proposed to demonstrate the feasibility of high-reflectivity multilayer coatings that will enable next-generation astrophysics missions in the x-ray region (2 – 7 nm wavelengths) where currently high-performance coatings largely do not exist. This paucity is due to multilayer interfacial effects that severely reduce the coating reflectance; our approach was based on understanding these interfacial effects and on tailored process modifications to control and minimize them. The experimental validation of our approach was made difficult by our multilayer deposition tool being down for a large portion of the project. The required repairs used significant amount of funding and time, which forced to reduce the scope of the project. Our experimental study focused on Cr/C multilayers and their optimization using N2 reactive sputtering. We showed that the highest reflectance was achieved when depositing the multilayers with 35% N2, and with a larger Cr thickness ratio than what was initially predicted by simulations. This result consists of a 13% relative increase in reflectivity compared to our previous work. It will benefit upcoming NASA proposals and LLNL’s leadership in this area, as well as topics highly relevant to LLNL/DOE’s priority areas, such as x-ray laser science and semiconductor manufacturing. This work will be further investigated as part of a Laboratory Directed Research and Development (LDRD) Exploratory Research (ER) project starting in Fiscal Year (FY) 2024.

36 MATERIALS SCIENCE↗

New Advances in Optical Stochastic Cooling

Recently, Optical Stochastic Cooling (OSC) became the first demonstrated method for ultra-high-bandwidth stochastic cooling. The initial experiments at Fermilab’s IOTA ring explored the essential physics of the method and demonstrated cooling, heating and manipulation of beams and single particles. Having been validated in practice, with continued development, OSC carries the potential for dramatic advances in the state-of-the-art performance and flexibility for beam cooling and control. The ongoing program at Fermilab is now focused on the development of an OSC system that includes high-gain optical amplification, which promises a two-order-of-magnitude increase in the strength of the OSC force. In this talk, we briefly review the results of the initial experimental campaign, describe the status of the conceptual and hardware designs for the amplified OSC system, report initial experimental results of our high-gain amplifier development, and explore near-term operational plans and use cases.

43 PARTICLE ACCELERATORS↗

The Optical Stochastic Cooling Program at Fermilab

Recently, Optical Stochastic Cooling (OSC) became the first demonstrated method for ultra-high-bandwidth stochastic cooling. The initial experiments at Fermilab’s IOTA ring explored the essential physics of the method and demonstrated cooling, heating and manipulation of beams and single particles. Having been validated in practice, with continued development, OSC carries the potential for dramatic advances in the state-of-the-art performance and flexibility for beam cooling and control. The ongoing program at Fermilab is now focused on the development of an OSC system that includes high-gain optical amplification, which promises a two-order-of-magnitude increase in the strength of the OSC force. Here we review the progress and plans for the amplified OSC program. This includes detailed lattice designs and tracking simulations for the various experimental configurations, designs and status for the various hardware systems, and near-term operational plans and use cases.

Jarvis, J. [Fermilab]↗

Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP

YiiP from Shewanella oneidensis is a prokaryotic Zn 2+ /H + antiporter that serves as a model for the Cation Diffusion Facilitator (CDF) superfamily, members of which are generally responsible for homeostasis of transition metal ions. Previous studies of YiiP as well as related CDF transporters have established a homodimeric architecture and the presence of three distinct Zn 2+ binding sites named A, B, and C. In this study, we use cryo-EM, microscale thermophoresis and molecular dynamics simulations to address the structural and functional roles of individual sites as well as the interplay between Zn 2+ binding and protonation. Structural studies indicate that site C in the cytoplasmic domain is primarily responsible for stabilizing the dimer and that site B at the cytoplasmic membrane surface controls the structural transition from an inward facing conformation to an occluded conformation. Binding data show that intramembrane site A, which is directly responsible for transport, has a dramatic pH dependence consistent with coupling to the proton motive force. A comprehensive thermodynamic model encompassing Zn 2+ binding and protonation states of individual residues indicates a transport stoichiometry of 1 Zn 2+ to 2–3 H + depending on the external pH. This stoichiometry would be favorable in a physiological context, allowing the cell to use the proton gradient as well as the membrane potential to drive the export of Zn 2+ .

59 BASIC BIOLOGICAL SCIENCES↗

AN AUTOMATED ANCHORING SYSTEM FOR AN UNMANNED SURFACE VEHICLE

The goal of this thesis is to simulate, design and build an automated device that allows unmanned vessels to anchor themselves in specified locations while being United States Coast Guard Navigation Rules compliant. This is a part of a larger project funded by the U.S. Department of Energy for Florida Atlantic University to build an unmanned platform with an Undershot Water Wheel on it. By simulating the environment of the South Florida Intercoastal Water Ways, forces acting on the line, anchor and the vessel are analyzed. These forces are used as the guide for the design and build of a line locking mechanism that takes the tension off the winch and a sensor package to monitor the environment the platform is in as well as control of the system. Based off experimental testing, the system was successful in handling all emulated environments with loads exceeding 150lbs of tension.

Fosbrook, Amanda↗

Diversity in Photoprotection and Energy Balancing in Terrestrial and Aquatic Phototrophs

The evolution of oxygenic photosynthesis enabled organisms to use sunlight as an energy source, allowing them to colonize new niches. At the same time, life (as we know it) places severe constraints on photosynthesis. For example, the initial reactions of photosynthesis involve highly energetic intermediates that, if not controlled, can generate highly toxic side products (especially reactive oxygen species, ROS), that can damage other essential components of the organisms it powers. Photosynthesis must therefore be tightly regulated to balance the need for efficient energy conversion with the necessity of avoiding photodamage (Gust D, Kramer D, Moore A, Moore T, Vermaas W, Mater Res Bull 33:383–389, 2008). A related constraint on photosynthesis is the need to precisely balance how much energy is stored in ATP and NADPH to precisely meet biochemical demands. If this balancing does not occur, the system will fail, leading to photodamage (Kramer DM, Evans JR, Plant Physiol 155:70–78, 2011). Consideration of these requirements is essential for efforts to improve the efficiency of photosynthesis by introducing CO 2 concentrating mechanisms, altering metabolism or biosynthetic pathways to shunt energy to alternative products (Kramer DM, Evans JR, Plant Physiol 155:70–78, 2011). These balancing processes must be extremely robust to contend with the rapid and unpredictable fluctuations in environmental conditions and metabolic demands that occur in nature. A large body of work has come from model systems, especially terrestrial higher plants and the green alga Chlamydomonas reinhardtii, leading to a model for the regulation of light reactions that involves 1) sensing of the pH gradient component of the thylakoid proton motive force (pmf), and 2) the redox state of the plastoquinone- and stromal pools. Over the short term, these sensors trigger regulation of light capture by altering the activity of ATP synthase leading to adjustments in lumen pH, which fine tunes light capture through nonphotochemical quenching (NPQ) and control of electron flow by adjusting the rate of PQH 2 oxidation at the b 6 f complex. Simultaneously, this system controls the balance of ATP/NADPH by adjusting electron flux to linear and cyclic electron flow pathways to balance ATP/NADPH. This integrated “pmf paradigm” model explains much of the existing data on plants and green algae, but may not extend to other diverse organisms. This review considers how advances in our understanding of photosynthesis over the past 7–8 years, particularly in the discoveries of diverse biochemical/biophysical mechanisms in aquatic photosynthetic species, affects the view of energy balance, including the shunting of electrons to O 2 through the flavodiiron proteins (FLV), the plastid terminal oxidase, the dissipation of electric field by ion movements, and the activation of alternative electron sinks. Furthermore, we will introduce the basic model that has been developed for higher plant chloroplasts, then contrast these with selected aquatic systems, focusing on how the differences impact the needs to re-balance both energy input and its partitioning into energy currencies.

Kanazawa, Atsuko↗

Why Do Oceanic Nonlinearities Contribute Only Weakly to Extreme El Niño Events?

Abstract Extreme El Niño events have outsized global impacts and control the El Niño Southern Oscillation (ENSO) warm/cold phases asymmetries. Yet, a consensus regarding the relative contributions of atmospheric and oceanic nonlinearities to their genesis remains elusive. Here, we isolate the contribution of oceanic nonlinearities by conducting paired experiments forced with opposite wind stress anomalies in an oceanic general circulation model, which realistically simulates extreme El Niño events and oceanic nonlinearities thought to contribute to ENSO skewness (Tropical Instability Waves (TIWs), Nonlinear Dynamical Heating (NDH)). Our findings indicate a weak contribution of oceanic nonlinearities to extreme El Niño events in the eastern Pacific, owing to compensatory effects between lateral (NDH and TIWs) and vertical processes. These results hold across different vertical mixing schemes and modifications of the upper‐ocean heat budget mixed layer criterion. Our study reinforces previous research underscoring the pivotal role of atmospheric nonlinearities in shaping extreme El Niño events.

Geology↗