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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Scalable Pattern Matching in Metadata Graphs via Constraint Checking

Pattern matching is a fundamental tool for answering complex graph queries. Unfortunately, existing solutions have limited capabilities: They do not scale to process large graphs and/or support only a restricted set of search templates or usage scenarios. Moreover, the algorithms at the core of the existing techniques are not suitable for today’s graph processing infrastructures relying on horizontal scalability and shared-nothing clusters, as most of these algorithms are inherently sequential and difficult to parallelize. In this article we present an algorithmic pipeline that bases pattern matching on constraint checking. The key intuition is that each vertex and edge participating in a match has to meet a set of constraints implicitly specified by the search template. These constraints can be verified independently and typically are less expensive to compute than searching the full template. The pipeline we propose generates these constraints and iterates over them to eliminate all the vertices and edges that do not participate in any match, thus reducing the background graph to a subgraph that is the union of all template matches—the complete set of all vertices and edges that participate in at least one match. Additional analysis can be performed on this annotated, reduced graph, such as full match enumeration, match counting, or computing vertex/edge centrality. Furthermore, a vertex-centric formulation for constraint checking algorithms exists, and this makes it possible to harness existing high-performance, vertex-centric graph processing frameworks. This technique (i) enables highly scalable pattern matching in metadata (labeled) graphs; (ii) supports arbitrary patterns with 100% precision; (iii) enables tradeoffs between precision and time-to-solution, while always selects all vertices and edges that participate in matches, thus offering 100% recall; and (iv) supports a set of popular data analytics scenarios. We implement our approach on top of HavoqGT, an open-source asynchronous graph processing framework, and demonstrate its advantages through strong and weak scaling experiments on massive scale real-world (up to 257 billion edges) and synthetic (up to 4.4 trillion edges) labeled graphs, respectively, and at scales (1,024 nodes / 36,864 cores), orders of magnitude larger than used in the past for similar problems. This article serves two purposes: First, it synthesises the knowledge accumulated during a long-term project. Second, it presents new system features, usage scenarios, optimizations, and comparisons with related work that strengthen the confidence that pattern matching based on iterative pruning via constraint checking is an effective and scalable approach in practice. The new contributions include the following: (i) We demonstrate the ability of the constraint checking approach to efficiently support two additional search scenarios that often emerge in practice, interactive incremental search and exploratory search. (ii) We empirically compare our solution with two additional state-of-the-art systems, Arabsque and TriAD. (iii) We show the ability of our solution to accommodate a more diverse range of datasets with varying properties, e.g., scale, skewness, label distribution, and match frequency. (iv) We introduce or extend a number of system features (e.g., work aggregation, load balancing, and the ability to cap the generated traffic) and design optimizations and demonstrate their advantages with respect to improving performance and scalability. (v) We present bottleneck analysis and insights into artifacts that influence performance. (vi) We present a theoretical complexity argument that motivates the performance gains we observe.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Engineering Relaxor Behavior in (BaTiO 3 ) n /(SrTiO 3 ) n Superlattices

Complex-oxide superlattices provide a pathway to numerous emergent phenomena because of the juxtaposition of disparate properties and the strong interfacial interactions in these unit-cell-precise structures. This is particularly true in superlattices of ferroelectric and dielectric materials, wherein new forms of ferroelectricity, exotic dipolar textures, and distinctive domain structures can be produced. Here, in this study, relaxor-like behavior, typically associated with the chemical inhomogeneity and complexity of solid solutions, is observed in (BaTiO 3 ) n /(SrTiO 3 ) n (n = 4–20 unit cells) superlattices. Dielectric studies and subsequent Vogel–Fulcher analysis show significant frequency dispersion of the dielectric maximum across a range of periodicities, with enhanced dielectric constant and more robust relaxor behavior for smaller period n. Bond-valence molecular-dynamics simulations predict the relaxor-like behavior observed experimentally, and interpretations of the polar patterns via 2D discrete-wavelet transforms in shorter-period superlattices suggest that the relaxor behavior arises from shape variations of the dipolar configurations, in contrast to frozen antipolar stripe domains in longer-period superlattices (n = 16). Moreover, the size and shape of the dipolar configurations are tuned by superlattice periodicity, thus providing a definitive design strategy to use superlattice layering to create relaxor-like behavior which may expand the ability to control desired properties in these complex systems.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A cellular selection identifies elongated flavodoxins that support electron transfer to sulfite reductase

Flavodoxins (Flds) mediate the flux of electrons between oxidoreductases in diverse metabolic pathways. To investigate whether Flds can support electron transfer to a sulfite reductase (SIR) that evolved to couple with a ferredoxin, we evaluated the ability of Flds to transfer electrons from a ferredoxin-NADP reductase (FNR) to a ferredoxin-dependent SIR using growth complementation of an Escherichia coli strain with a sulfur metabolism defect. We show that Flds from cyanobacteria complement this growth defect when coexpressed with an FNR and an SIR that evolved to couple with a plant ferredoxin. When we evaluated the effect of peptide insertion on Fld-mediated electron transfer, we observed a sensitivity to insertions within regions predicted to be proximal to the cofactor and partner binding sites, while a high insertion tolerance was detected within loops distal from the cofactor and within regions of helices and sheets that are proximal to those loops. Bioinformatic analysis showed that natural Fld sequence variability predicts a large fraction of the motifs that tolerate insertion of the octapeptide SGRPGSLS. In conclusion, these results represent the first evidence that Flds can support electron transfer to assimilatory SIRs, and they suggest that the pattern of insertion tolerance is influenced by interactions with oxidoreductase partners.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Two-Dimensional Mechanics of Atomically Thin Solids on Water

Movement of a three-dimensional solid at an air–water interface is strongly influenced by the extrinsic interactions between the solid and the water. The finite thickness and volume of a moving solid causes capillary interactions and water-induced drag. In this Letter, we report the fabrication and dynamical imaging of freely floating MoS 2 solids on water, which minimizes such extrinsic effects. For this, we delaminate a synthesized wafer-scale monolayer MoS 2 onto a water surface, which shows negligible height difference across water and MoS 2 . Subsequently patterning by a laser generates arbitrarily shaped MoS 2 with negligible in-plane strain. We introduce photoswitchable surfactants to exert a lateral force to floating MoS 2 with a spatiotemporal control. Using this platform, we demonstrate a variety of two-dimensional mechanical systems that show reversible shape changes. Our experiment provides a versatile approach for designing and controlling a large array of atomically thin solids on water for intrinsically two-dimensional dynamics and mechanics.

2D materials↗

DOE OSTI2024

Large eddy simulation of particle dispersion analysis in a pressurized reactive fluid–particle system

Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new combustion technologies. Because of high pressure, the volumetric fraction of particles in a pressurized oxy-combustor could be higher than that in the conventional combustor, consequently, the particle dynamics in the pressurized vessel need to be evaluated accordingly. Specifically, the present computational work analyzes the pattern of the particle dispersion by extracting the particle mass flow rate and the particle size distribution in the pressurized combustor. A large eddy simulation (LES) with the environment pressure 15-bar and 100 kWth thermal input of fuel particle has been performed. The particle mass flow rates sampled in several cross-section planes strongly fluctuate, indicating the impacts of the flame as well as the gas-phase flow on the particle movement. Animations of the particle-gas flow show that the flow recirculation plays a major role in producing the pulsing phenomenon of the particle mass flow rate.

Li, Lei↗

DOE OSTI2024

OpenPATH - Leveraging Technology to Measure Travel Behavior

Shifting transportation to more sustainable modes is a key piece of the decarbonization puzzle. However, mobility behavior and travel patterns are difficult to influence because they are difficult to measure. OpenPATH provides a tool to capture longitudinal behaviors through a smartphone application. Agencies interested in gathering data about a population's travel behavior can set up a deployment of the app customized to the needs of their community. Partners can choose between simple mode and purpose labels or surveys for each trip to balance the level of user engagement with the associated burden. The labels, trip surveys, and an initial demographic survey can all be tailored to the specific context of the deployment. The OpenPATH tool is unique in its open-source nature, ability to gather detailed longitudinal travel data, and design allowing direct engagement with travelers. A valuable technological advancement, this tool enables partners to measure the way changes in the transportation landscape impact their community. The suite of tools includes both public and administrator dashboards. The public dashboard supports continuous data analysis through charts presenting trip information updated daily. The administrator dashboard displays geospatial data and supports data export. Example applications have included e-bike programs; gathering valuable metrics on increased access to opportunities and reduction in VMT, and studies aimed at understanding existing mobility behavior to see where advancements such as electric vehicles could fit into these habits. OpenPATH collects travel data in association with an initial demographic survey, enabling detailed insight into the behavior patterns or impact of a certain program on different populations.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Estimation of intensity, footprint, and capacity of surface urban heat islands using a direction-enhanced adaptive synchronous extraction (DEASE) method

Here, the surface urban heat island (SUHI) effect, assessed through remotely sensed land surface temperature (LST), remains a focal point in urban climate research. Conventional indicators like SUHI intensity (SUHII) and footprint (SUHIF) capture peak values and spatial extent but fail to account for the cumulative thermal load—a critical dimension reflecting the total heat exposure imposed by spatially continuous warming, which directly limits a holistic assessment of ecological and societal impacts of the SUHI effect. Therefore, this study introduces an indicator termed SUHI capacity (SUHIC), designed to quantify the aggregated SUHI effect by integrating the magnitude of the warming signal across all affected areas, thereby enabling a more comprehensive evaluation of urban thermal environments. Furthermore, a direction-enhanced adaptive synchronous extraction (DEASE) method is proposed for the quantification of SUHIC. This method can dynamically identify the optimal background reference area based on the urban-rural LST gradients in various directions within the city, without relying on predefined mathematical models as previously. The results from 102 European cities first confirm that the directional variations in urban-rural LST gradients, and the DEASE method can effectively capture these distinctions for the simultaneous estimation of SUHII, SUHIF, and SUHIC. Secondly, the spatial patterns of absolute SUHIC values show strong associations with those of SUHIF (R2>0.86), while its relative values (normalized by the area of urban) align more closely with SUHII (R2 > 0.64). More importantly, SUHIC can serve as a crucial reference for assessing the urban thermal signal when SUHII and SUHIF diverge. The proposed method and framework contribute to standardizing the quantification of the SUHI effect.

Indicator↗

DOE OSTI2023

Finding middle ground: Flow regimes designed for salmon and energy value

In regulated rivers, shaping seasonal flows to recover species at risk depends on understanding when to expect conflicts with competing water users and when their interests are aligned. Multi-objective optimization can be used to reveal such conflicts and commonalities. When species are involved, multi-objective optimization is challenged by the need to simulate complex species responses to flow regimes. Previously, we addressed that challenge by developing a simplified salmon model (Quantus) that defines cohorts of salmon by the river section and time in which they were spawned. Salmon in these space-time cohorts are tracked from the time redds (nests) are constructed until the cohort exits the tributary en route to the ocean. In this study, we modeled seasonal patterns in energy value and developed a Pareto-optimal frontier of seasonal flow patterns to maximize in-river salmon survival and hydropower value. Candidate flow regimes were characterized by two pulse flows varying in magnitude, timing, and duration and constrained by a total annual flow near the historical median. Our analysis revealed times when economic and salmon objectives were aligned and times when they differed. Pulse flows that favored higher energy value were timed to meet demand during extreme temperatures. Both salmon and hydropower objectives produced optimal flow regimes with pulse flows in early summer, but only solutions favoring hydropower value included high flows in mid-winter. Solutions favoring higher age-0 salmon survival provided an extended pulse flow in late winter/early spring, which suggests that access to productive floodplain habitat allowed faster growth and earlier out-migration and reduced the need for higher temperature-moderating flows later in spring. Minimum flows were also higher among solutions favoring salmon over energy. The tools used to produce these results can help to design simplified seasonal flow regimes by revealing compromise solutions that satisfy both fish and energy producers and highlighting when potential conflicts are likely.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Hallucination of closed repeat proteins containing central pockets

In pseudocyclic proteins, such as TIM barrels, β barrels, and some helical transmembrane channels, a single subunit is repeated in a cyclic pattern, giving rise to a central cavity that can serve as a pocket for ligand binding or enzymatic activity. Inspired by these proteins, we devised a deep-learning-based approach to broadly exploring the space of closed repeat proteins starting from only a specification of the repeat number and length. Biophysical data for 38 structurally diverse pseudocyclic designs produced in Escherichia coli are consistent with the design models, and the three crystal structures we were able to obtain are very close to the designed structures. Docking studies suggest the diversity of folds and central pockets provide effective starting points for designing small-molecule binders and enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Evaluating turbulence models at high energy densities

The RESHOCK campaign at Lawrence Livermore National Laboratory has been working on increasing our understanding of the evolution of turbulent, unstable plasma interfaces which are applicable in various HED applications including ICF implosions. A common approach to model such interfaces involves the use of Renolds-Averaged-Navier-Stokes (RANS) models whose parameters have been constrained by theory and experiments. These parameter sets are not unique and the applicability of one set of tuned model parameters to systems with differing shock strengths or material densities has not been well tested. Our new NIF experiments, along with related studies of turbulent shear flows, provide data and model validation for plasma interfaces in the HED regime. Our experiments measure mixing-layer width at an unstable interface in the plasma regime and are specifically designed to challenge mix models of the Reynolds-Averaged-Navier-Stokes (RANS) type where turbulence is assumed to be fully developed, i.e. the flow exhibits a broad spectrum of length scales without memory of the initial condition.4 We utilize precise control of the initial interface conditions (densities on both sides of the interface, an initial rippled perturbation pattern consisting of equally weighted wavelengths between 10 and 20 microns, and initial material compositions) along with a repeatable drive history

36 MATERIALS SCIENCE↗

DOE OSTI2025

Computationally Guided and Experimentally Validated Design of Custom Chelators for Critical Mineral Recovery

Selective, high throughput separation of target critical metals from complex environments such as fly ash leachates and mining process streams presents a significant challenge for economical production. Custom chelators and sorbents are an attractive technology for selective metal extraction, however it can be difficult to predict their performance, and significant experimental efforts are often required to develop chelating technologies. Here, we present a computational strategy focused on modelling chelator-metal binding interactions and benchmark these results versus experimental data. A computational pipeline combining forcefield, semiempirical, and meta-GGA methods with a thermodynamic framework optimized for error cancellation has been developed to predict binding energies of chelator complexes towards critical mineral recovery applications. This approach, originally validated on [2.2.2] cryptates binding mono- and divalent cations, demonstrated robust predictive capabilities with an R2 of 0.850 against experimental aqueous binding energies. The workflow includes metadynamics for exploring high-dimensional potential energy surfaces and a cluster-continuum model for accurate yet computationally efficient solvation modeling. Error cancellation between solvation energies of free and chelator-coordinated ions enables faster convergence, even with finite cluster sizes. Initial studies on the cryptates revealed consistent metal-ligand coordination patterns, with systematic variations influenced by ion size and charge, highlighting key structural features linked to binding selectivity. Further studies of a proprietary chelator have resulted in identification of previously unreported selectivity towards economically significant metals, which in-house experiments have confirmed, demonstrating the feasibility of this approach. By applying this methodology to new chelators targeting critical minerals such as lithium, cobalt, nickel and other strategic metals, we aim to accelerate the discovery of next-generation chelators for efficient recovery, recycling, and separation processes. This computational framework serves as the backbone of a high-throughput design pipeline tailored for sustainable resource utilization and may be applied to a wide range of systems to meet experimental needs.

computational materials↗

DOE OSTI2020

Hydropower Geotechnical Foundations: Current Practice and Innovation Opportunities for Low-Head Applications

Hydropower is a renewable energy resource that produces electricity from flowing water under pressure. Engineered hydropower structures, such as dams, are used to create a hydraulic head, enabling a turbinegenerator unit to convert pressurized flow into electricity. While hydropower has been a source of renewable energy since antiquity, new development in the United States has slowed in recent decades. Based on recent resource assessments, the largest opportunity to expand hydropower in the United States is from new stream-reach development (i.e., new hydropower development along stream-reaches that do not currently have hydroelectric facilities or other forms of infrastructure, such as dams). Roughly 75% of identified new stream-reach development potential is from low-head sites (less than 30 ft of head), which typically suffer from smaller power densities and higher normalized costs, given economies of scale. Hydropower developers and other stakeholders are thus interested in strategies to reduce initial capital costs while practicing sustainable development to maximize environmental compatibility with minimal disruption to natural aquatic life, sediment, and water flows. Historically, civil works have represented a significant cost driver for new hydropower development, with the foundation system representing a major cost component and source of uncertainty. The foundation system is the collection of engineered structural features (e.g. cutoff trenches, walls, grouting, anchors) constructed at or below the preconstruction ground surface that interfaces between the overlying structures (superstructures) and the bed material below (subsurface). Development of a hydropower foundation system must consider the various characteristics of the surrounding stream environment and subsurface while adhering to the engineering requirements of the superstructure that it supports. The care of water, excavation, and other construction activities are important features of foundation design and construction. The design and construction cost of the foundation system is largely dependent on the site geology and riverbed composition and is influenced by the level of geotechnical assessment required and conducted. Thus, a hydropower facility’s geotechnical foundation is often highly site-specific, with proper site selection and assessment being important to project success. The foundation system is designed to provide structural stability (of the foundation and dam), limit seepage, ensure public safety, and maintain functionality for the project life, during both construction and facility operations. Inadequate foundation or dam design can result in dam failure and the uncontrolled release of significant volumes of water, which could cause a high number of casualties and extensive property damage downstream of the failure. According to the Association of State Dam Safety Officials, approximately 30% of all historical dam failures in the United States are attributed to foundation or abutment defects, and another 20% are attributed to piping or seepage through the embankment, foundation, or abutment. To ameliorate these safety considerations, foundations often require massive amounts of construction material (e.g., grout, concrete, engineered dam fill) and long construction times. Foundation design also requires significant analysis prior to construction because the initial in-stream and abutment subsurface conditions are site-specific, and sufficient data for them often are lacking. Current practice requires on-site assessment, using expensive drilling and invasive and non-invasive investigation methods, to determine the expected cost of foundation material and treatment. Additionally, foundation construction often requires site dewatering (and other care of water activities), which involves constructing temporary diversion structures upstream and often downstream, called cofferdams, and water diversion systems that route water around the construction site. Cofferdams and water diversion systems can drastically increase construction costs and contribute to environmental disruption, including modification of flow patterns and benthic habitats. Given the technical, economic, and environmental challenges associated with hydropower foundations, opportunities exist to improve the current state of practice and to develop new and innovative solutions to Hydropower is a renewable energy resource that produces electricity from flowing water under pressure. Engineered hydropower structures, such as dams, are used to create a hydraulic head, enabling a turbinegenerator unit to convert pressurized flow into electricity. While hydropower has been a source of renewable energy since antiquity, new development in the United States has slowed in recent decades. Based on recent resource assessments, the largest opportunity to expand hydropower in the United States is from new stream-reach development (i.e., new hydropower development along stream-reaches that do not currently have hydroelectric facilities or other forms of infrastructure, such as dams). Roughly 75% of identified new stream-reach development potential is from low-head sites (less than 30 ft of head), which typically suffer from smaller power densities and higher normalized costs, given economies of scale. Hydropower developers and other stakeholders are thus interested in strategies to reduce initial capital costs while practicing sustainable development to maximize environmental compatibility with minimal disruption to natural aquatic life, sediment, and water flows. Historically, civil works have represented a significant cost driver for new hydropower development, with the foundation system representing a major cost component and source of uncertainty. The foundation system is the collection of engineered structural features (e.g. cutoff trenches, walls, grouting, anchors) constructed at or below the preconstruction ground surface that interfaces between the overlying structures (superstructures) and the bed material below (subsurface). Development of a hydropower foundation system must consider the various characteristics of the surrounding stream environment and subsurface while adhering to the engineering requirements of the superstructure that it supports. The care of water, excavation, and other construction activities are important features of foundation design and construction. The design and construction cost of the foundation system is largely dependent on the site geology and riverbed composition and is influenced by the level of geotechnical assessment required and conducted. Thus, a hydropower facility’s geotechnical foundation is often highly site-specific, with proper site selection and assessment being important to project success. The foundation system is designed to provide structural stability (of the foundation and dam), limit seepage, ensure public safety, and maintain functionality for the project life, during both construction and facility operations. Inadequate foundation or dam design can result in dam failure and the uncontrolled release of significant volumes of water, which could cause a high number of casualties and extensive property damage downstream of the failure. According to the Association of State Dam Safety Officials, approximately 30% of all historical dam failures in the United States are attributed to foundation or abutment defects, and another 20% are attributed to piping or seepage through the embankment, foundation, or abutment. To ameliorate these safety considerations, foundations often require massive amounts of construction material (e.g., grout, concrete, engineered dam fill) and long construction times. Foundation design also requires significant analysis prior to construction because the initial in-stream and abutment subsurface conditions are site-specific, and sufficient data for them often are lacking. Current practice requires on-site assessment, using expensive drilling and invasive and non-invasive investigation methods, to determine the expected cost of foundation material and treatment. Additionally, foundation construction often requires site dewatering (and other care of water activities), which involves constructing temporary diversion structures upstream and often downstream, called cofferdams, and water diversion systems that route water around the construction site. Cofferdams and water diversion systems can drastically increase construction costs and contribute to environmental disruption, including modification of flow patterns and benthic habitats. Given the technical, economic, and environmental challenges associated with hydropower foundations, opportunities exist to improve the current state of practice and to develop new and innovative solutions to challenges frequently encountered with traditional approaches. With this understanding, it is critically important to understand and document the current state of practice for hydropower geotechnical foundations, identify key challenges, and define opportunities for innovative solutions. To this end, this report documents the current state of practice across the three main phases of geotechnical foundation development: (1) geotechnical site assessment, (2) design, and (3) construction for hydropower systems. It also describes the major challenges with conventional approaches and identifies opportunities for innovation to reduce hydropower foundations costs, timelines, and risks. Key takeaways from this report include the following: Approximately 80% of available low-head sites are expected to have foundations on soil beds rather than rock beds, suggesting that rockfill and earthfill dams may be the most cost-effective conventional dam type for new projects.; Geotechnical and geologic investigation activities are time-consuming and expensive but are essential to define the parameters and criteria needed for foundation design.; Certain riverbed soil and bedrock types present significant technical challenges or require expensive foundation construction, which can prove financially prohibitive for low-head project development.; Modular hydropower design and prefabricated modular foundations represent a promising but unproven paradigm for new hydropower development. Design and construction approaches using optimized and highly repeatable, reliable components would benefit project cost, time, and risk but require additional research and development.; Temporary construction features for foundations, including cofferdams, water diversion, and water control systems, can prove costly and have inherent construction risk.; For economically viable development, hydropower geotechnical foundations should be limited to 4 to 15% of the project’s total initial capital costs. Many proposed projects have experienced cost overruns attributable to foundation difficulties or surprises during construction. These overruns may have been due to inadequate investigations, lack of adequate engineering effort to tailor the structures to site geology and topography, and/or contractual terms, among other considerations.; Challenges for hydropower foundations and opportunities for innovative technology solutions are identified in the following areas (consistent with the three main phases of foundation development): Geotechnical site assessment, Foundation design and materials, Construction methods and technology. Ultimately, this report aims to provide information about geotechnical foundations for low-head hydropower and to motivate transformative technologies to support hydropower growth.

13 HYDRO ENERGY↗

DOE OSTI2021

Why does a phosphonium-phosphinate ionic liquid protect the contact surfaces from wear and micropitting but increase vibration when used as an additive in rolling-sliding lubrication?

A phosphonium-phosphinate ionic liquid (IL) was studied as a lubricant additive for rolling-sliding contacts. The bench-scale test was designed to simulate automotive rear axle operation during cold start, highway towing, and overload conditions. Adding such an IL (2%) into a base oil significantly reduced wear loss and rolling contact fatigue, e.g., microcracking and micropitting, but made the vibrational noise notably higher under a low (-1.5%) sliding roll ratio (SRR). Additionally, worn surface characterization revealed an interesting texture pattern with alternating smoother plateaus and rougher valleys, which is believed to cause the high vibration. No increased vibration was observed at a high (-30%) SRR, possibly because the more aggressive sliding abrasion prevented such a surface texture from forming.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Rotation of electrothermal-instability-driven overheating structure due to helically oriented surface magnetic field on a high-current-density aluminum rod

Experiments on the 1-MA, 100-ns-rise-time Mykonos Facility demonstrate rotation of electrothermal instability (ETI)-driven overheating structure on 1.00-mm-diameter, 10-nm-surface roughness, 99.999%-pure aluminum rods, which are pulsed with helically polarized surface magnetic field. Rods are machined to include pairs of 10-micron-scale quasi-hemispherical voids or “engineered defects (ED)” which provide the dominant current density perturbation from which ETI grows most rapidly. Experiments include an axial magnetic field component through the addition of a helically wound return-current electrode or “helical return can (HRC).” For a given HRC design, azimuthal field (B ɵ ) and axial field (B z ) components rise at a prescribed and fixed ratio, driving an increasing magnetic field of constant polarization at the rod's surface; most experiments generated surface magnetic field at a 15-degree field polarization angle (from horizontal) defined as ɸ B = arctan(B z /B ɵ ). ETI-driven emission patterns from individual ED are observed to rotate along ɸ B , while emission patterns from dielectric-coated ED pairs are shown to elongate and preferentially merge along ɸ B , in qualitative agreement with 3D-magnetohydrodynamic simulations. These data strongly support that for a randomized distribution of current density perturbations on a high-current density conductor, nearby perturbations will favorably merge about ɸ B , with the degree of merging increasing with current. Such observations offer fundamental new understanding of the seeding mechanisms of the helical magneto-Rayleigh Taylor (MRT) instabilities observed from axially magnetized magnetically driven imploding liners.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Development of a high current density, high temperature superconducting cable for pulsed magnets

Abstract A low AC loss Rare Earth Barium Copper Oxide (REBCO) cable, based on the VIPER cable technology has been developed by Commonwealth Fusion Systems for use in high field, REBCO based tokamaks. The new cable is composed of partitioned and transposed copper ‘petals’ shaped to fit together in a circular pattern with each petal containing a REBCO tape stack and insulated from each other to reduce AC losses. A stainless steel jacket adds mechanical robustness—also serving as a vessel for solder impregnation—while a tube runs through the middle for cooling purposes. Additionally, fiber optic sensors are placed under the tape stacks for quench detection. To qualify this design, a series of experiments were conducted as part of the SPARC tokamak Central Solenoid Model Coil program—to retire the risks associated with full scale, fast ramping, high flux HTS Central Solenoid (CS) and Poloidal Field (PF) coils for tokamak fusion power plants and net energy demonstrators. These risk study and risk reduction experiments include (1) AC loss measurement and model validation in the range of ~5 T/s, (2) an IxB electromagnetic loading of over 850 kN/m at the cable level and up to 300 kN/m at the stack level, (3) a transverse compression resilience of over 350 MPa, (4) manufacturability at tokamak relevant speeds and scales, (5) cable to cable joint performance, (6) fiber optic based quench detection speed, accuracy, and feasibility, and (7) overall winding pack integration and magnet assembly. The result is a cable technology, now referred to as PIT VIPER, with AC losses that measure fifteen times lower (at ~5 T/s) than its predecessor technology; a 2% or lower degradation of critical current (Ic) at high IxB electromagnetic loads; no detectable Ic degradation up to 570 MPa of transverse compression on the cable unit cell; end to end magnet manufacturing, consistently producing Ic values within 7% of the model prediction; cable to cable joint resistances at 20 K on the order of ~15 nΩ; and fast, functional quench detection capabilities that do not involve voltage taps. This cable technology will be tested comprehensively in a Central Solenoid Model Coil to prove its readiness for compact, high field tokamak operation.

Sanabria, Charlie (ORCID:0000000150175309)↗

DOE OSTI2020

Genotype-Specific Neutralization of Norovirus Is Mediated by Antibodies Against the Protruding Domain of the Major Capsid Protein

Abstract Human noroviruses are the most common viral agents of acute gastroenteritis. Recently, human intestinal enteroids were shown to be permissive for norovirus infection. We tested their suitability as a system to study norovirus neutralization. Hyperimmune sera raised against virus-like particles (VLPs) representing different genotypes showed highly specific neutralization activity against GII.4 and GII.6 noroviruses. Carbohydrate blocking assays and neutralization exhibited similar patterns in antibody responses. Notably, sera produced against chimeric VLPs that presented swapped structural shell and protruding (P) domains, from different genotypes showed that neutralization is primarily mediated by antibodies mapping to the P domain of the norovirus capsid protein. This study provides empirical information on the antigenic differences among genotypes as measured by neutralization, which could guide vaccine design.

Ford-Siltz, Lauren A.↗

DOE OSTI2024

Exploring the benefits of using co-packaged optics in data center and AI supercomputer networks: a simulation-based analysis [Invited]

We investigate the advantages of using co-packaged optics in next-generation data center and AI supercomputer networks. The increased escape bandwidth offered by co-packaged optics provides multiple possibilities for building 50T switches and beyond, expanding the opportunities in both the data center and supercomputing domains. Furthermore, this provides network architects with the opportunity to expand their design space and develop simplified networks with enhanced network locality properties. Co-packaging at the switch and server points enables networks with double capacity while reducing the switch count by 64% compared to state-of-the-art systems. We evaluate these concepts through discrete-event simulations using all-to-all and all-reduce traffic patterns that simulate collective communications commonly found in network-bound applications. Initially, we investigate the all-to-all overhead involved in distributing the virtual machines of the applications across multiple leaf switches and compare it to the scenario in which all VMs are placed under a single switch. Subsequently, we evaluate the performance of an AI supercomputing cluster by simulating both patterns for different message sizes, while also varying the number of participating nodes. The results suggest that networks with improved locality properties become increasingly important as the network stack operates at higher speeds; for a stack latency of 1.25 µs, placing the applications under multiple switches can result in up to 68% higher completion times than placing them under a single switch. For AI supercomputers, significant improvements are observed in the mean server throughput, reaching more than 90% for configurations involving 256 nodes and message sizes of at least 128 KiB.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Future Projections of Lifecycle Cost and Greenhouse Gas Emissions of Light-Duty Vehicles

Vehicles with electrified powertrains carry the promise of significant reductions in greenhouse gas (GHG) emissions from a lifecycle analysis (LCA) standpoint compared to conventional internal combustion engine (CICE) vehicles. However, trade-offs exist between different types of electrified powertrains in terms of cost, consumer acceptance, and GHG reduction efficacy for different operating conditions. The open-source tool CarGHG was developed with an aim to enable the exploration of a plethora of parametric study scenarios, including the cost of electrification technologies, different driving patterns and charging habits, and the cost and carbon intensity of electricity and fuel blends. This paper introduces the framework of CarGHG, then showcases total cost of ownership (TCO) and LCA GHG results for select models of light-duty vehicles. Another capability of CarGHG, which is the ability to estimate the performance of “virtual” vehicle models (perceived vehicle design specifications not yet on the market), is utilized to explore future scenarios of electrification and low-carbon fuel blends for Small Sports Utility Vehicles (SUVs), a popular light-duty vehicle segment in North America. With opportunities, but also uncertainties, in future scenarios, it is likely wise to continue pursuing multiple ways towards the reduction of LCA GHG.

Hamza, Karim↗