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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Position Papers for the ASCR Workshop on Reimagining Codesign

On behalf of the Advanced Scientific Computing Research (ASCR) program in the US Department of Energy (DOE) Office of Science, we are organizing a Workshop on Reimagining Codesign (ReCoDe). Codesign is the process of jointly designing interoperating components of a computing system—in particular: applications, algorithms, system software, programming models, and the hardware on which they run. The goal is to maximize the overall performance, efficiency, and other desirable qualities of the system as a whole. Codesign is a standard methodology in the embedded-systems community, where space, power, and cost constraints are commonly pitted against execution speed for a tightly constrained feature set. Over the last decade, the DOE has invested in codesign efforts to foster the development of exascale computing systems for broad classes of scientific and engineering applications. The ReCoDe workshop hopes to explore how scientific applications of interest to the DOE can be accelerated through close interactions with hardware designers and software-stack developers, in which all components adapt to each other’s requirements and constraints. We want to answer the question of what are the key tools and methodologies for accomplishing codesign in today’s computing landscape, and what will be the highest impact targets for meeting DOE’s emerging mission requirements. This workshop aims to bring together DOE, industry, and academia to identify opportunities to build on past codesign successes and identify new areas that are either emerging or that may need reimagining for the future. We want to continue to find opportunities that can be pursued as a joint effort and continue to break down the traditional customer/vendor dichotomy with true partnerships. From this work, DOE will benefit from increased application performance relative to what stock hardware or existing general-purpose roadmaps can provide, and vendors will benefit from expanding their hardware’s capabilities to address needs they might have not otherwise anticipated and thereby create more widespread interest in their products. The workshop will be structured around a set of breakout sessions, with every attendee expected to participate actively in the discussions. Afterward, workshop attendees—from DOE, industry, and academia—will produce a report for ASCR that summarizes the findings made during the workshop.

97 MATHEMATICS AND COMPUTING↗

I.1 Heavy-Duty Diesel Combustion (Sandia National Laboratories)

Regulatory drivers and market demands for lower pollutant emissions, lower carbon dioxide emissions, and lower fuel consumption motivate the development of cleaner and more fuel-efficient engine operating strategies. Most current production heavy-duty diesel engines use a combination of both in-cylinder and exhaust emissions-control strategies to achieve these goals. The emissions and efficiency performance of in-cylinder strategies depend strongly on flow and mixing processes that can be influenced by using multiple fuel injections. Past work performed under this project showed that adding a second injection can reduce soot to levels below what would have been produced by an unchanged first injection, thereby increasing load while decreasing soot and potentially reducing brake specific fuel consumption. Information characterizing the important in-cylinder processes with multiple injections has been gleaned from ensemble-averaged planar laser-induced incandescence (PLII) imaging visualizing the soot cloud and planar induced fluorescence (PLIF) of OH characterizing the soot oxidation regions. PLII showed a consistent disruption of the first injection soot cloud by the second injection. In conjunction with OH-PLIF, differences in soot oxidation patterns for multiple injections compared to single injections were observed. This understanding was further enhanced in FY20, when high-speed imaging resolving the above-mentioned effects in a single cycle were combined with direct numerical simulations investigating the multiple-injection ignition process on the microscopic level of turbulence and chemistry interaction. In FY21, these findings in conjunction with findings from other researchers published in the scientific literature were composed into a preliminary multiple-injection conceptual model of fuel-mixing, injection and ignition processes. Remaining key research questions were also highlighted. In addition, wall heat flux was investigated experimentally and with numerical simulations to understand the potential of multiple injections to reduce the engine heat losses and further enhance the efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

Multi-Mission Radioisotope Thermoelectric Generator Heat Exchangers for the Mars Science Laboratory Rover

The addition of the Multi-Mission Radioisotope Thermoelectric Generator (MMRTG) to the Mars Science Laboratory (MSL) Rover requires an advanced thermal control system that is able to both recover and reject the waste heat from the MMRTG as needed in order to maintain the onboard electronics at benign temperatures despite the extreme and widely varying environmental conditions experienced both on the way to Mars and on the Martian surface. Based on the previously successful Mars landed mission thermal control schemes, a mechanically pumped fluid loop (MPFL) architecture was selected as the most robust and efficient means for meeting the MSL thermal requirements. The MSL heat recovery and rejection system (HRS) is comprised of two Freon (CFC-11) MPFLs that interact closely with one another to provide comprehensive thermal management throughout all mission phases. The first loop, called the Rover HRS (RHRS), consists of a set of pumps, thermal control valves, and heat exchangers (HXs) that enables the transport of heat from the MMRTG to the rover electronics during cold conditions or from the electronics straight to the environment for immediate heat rejection during warm conditions. The second loop, called the Cruise HRS (CHRS), is thermally coupled to the RHRS during the cruise to Mars, and provides a means for dissipating the waste heat more directly from the MMRTG as well as from both the cruise stage and rover avionics by promoting circulation to the cruise stage radiators. A multifunctional structure was developed that is capable of both collecting waste heat from the MMRTG and rejecting the waste heat to the surrounding environment. It consists of a pair of honeycomb core sandwich panels with HRS tubes bonded to both sides. Two similar HX assemblies were designed to surround the MMRTG on the aft end of the rover. Heat acquisition is accomplished on the interior (MMRTG facing) surface of each HX while heat rejection is accomplished on the exterior surface of each HX. Since these two surfaces need to be at very different temperatures in order for the fluid loops to perform efficiently, they need to be thermally isolated from one another. The HXs were therefore designed for high in-plane thermal conductivity and extremely low through-thickness thermal conductivity by using aluminum facesheets and aerogel as insulation inside a composite honeycomb core. Complex assemblies of hand-welded and uniquely bent aluminum tubes are bonded onto each side of the HX panels, and are specifically designed to be easily mated and demated to the rest of the RHRS in order to ease the integration effort.

Mastropietro, A. J.↗

The Maintainable Fusion Pilot Plant

The US fusion community has coalesced around the goal of building an FPP as described by the National Academies of Science, Engineering, and Medicine (NASEM). In addition to demonstrating the viability of the technologies necessary to operate such a plant, including demonstration of net energy and electricity production, NASEM found that a “fusion pilot plant will need to demonstrate the ability to efficiently perform remote maintenance and replacement in support of the design of a power plant, taking into account details of the consequences of the fusion environment, such as material activation and tritium retention in components.” Current designs of fusion demonstration reactors do usually foresee a regular exchange of their first wall modules, including the tritium breeding blankets. In the European Power Plant Conceptual Studies, it is assumed that a fusion reactor will need to change its divertor every 2 years and its first wall blanket module every 5 to 6 years to reach acceptable availability. Underlying this capability are remote-handling technologies to keep the outage for the exchange of these components short. There are many uncertainties in the remote-handling schemes, and most schemes are at a preconceptual level at best. In addition, the exchange of these components would either produce an enormous rad-waste stream or would require an enormous refurbishment activity with huge cost-prohibitive hot-cells. Past Fusion Nuclear Science Facility (FNSF) preconceptual studies have led to hot cell dimensions of an unbelievable size, likely costing tens of billions of dollars. Already at The Way (previously International Thermonuclear Experimental Reactor, ITER), hot-cells have become cost-prohibitive, demanding redesigns of the ITER first wall to reduce the toxic rad-waste/inventory. In this in-situ PFC repair project, a concept for a long-life, maintainable first wall module concept is developed and tested. This first wall concept relies on innovative remote handling to repair the first wall modules in-situ, avoiding costly refurbishments outside of the tokamak vessel. This approach was highlighted in the Fusion Energy Sciences Advisory Committee (FESAC) report on Transformative Enabling Capabilities for Efficient Advance Toward Fusion Energy. In general, the damage of the first wall armor is due to particle and radiation exposures. Load conditions vary from one fusion reactor design to another. In tokamaks, first wall Plasma Facing Components (PFCs) are exposed to far-Scrape-Off-Layer plasma fluxes, electromagnetic radiation, energetic CX neutrals, and potentially runaway electron beams. Protecting the first wall to the worst-case load conditions would require the design of a very thick first wall armor. Transient heat and particle fluxes due to disruptions or edge localized modes can lead to excessive heat loads resulting potentially in melting PFCs down to the cooling channel. Catastrophic events like these need to be avoided by appropriate disruption mitigation systems. However, failure of these systems will still put a first wall at an unacceptable risk. Hence, a first wall design needs to accommodate the occasional transient heat loads by introducing sacrificial limiters, which will absorb these transients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tunable Stochasticity in an Artificial Spin Network

Metamaterials present the possibility of artificially generating advanced functionalities through engineering of their internal structure. Artificial spin networks, in which a large number of nanoscale magnetic elements are coupled together, are promising metamaterial candidates that enable the control of collective magnetic behavior through tuning of the local interaction between elements. In this work, the motion of magnetic domain-walls in an artificial spin network leads to a tunable stochastic response of the metamaterial, which can be tailored through an external magnetic field and local lattice modifications. This type of tunable stochastic network produces a controllable random response exploiting intrinsic stochasticity within magnetic domain-wall motion at the nanoscale. An iconic demonstration used to illustrate the control of randomness is the Galton board. In this system, multiple balls fall into an array of pegs to generate a bell-shaped curve that can be modified via the array spacing or the tilt of the board. A nanoscale recreation of this experiment using an artificial spin network is employed to demonstrate tunable stochasticity. Furthermore, this type of tunable stochastic network opens new paths toward post-Von Neumann computing architectures such as Bayesian sensing or random neural networks, in which stochasticity is harnessed to efficiently perform complex computational tasks.

Artificial spin network↗

Operando Neutron Imaging of Lithium Flux and Gradient Cathode Design for Enhanced Kinetics in High‐Loading All‐Solid‐State Li─S Batteries

All-solid-state Li–sulfur batteries (ASSLSBs) are considered promising candidates for next-generation energy storage owing to their inherent safety, high energy density, and abundant sulfur resources. However, slow redox kinetics greatly limit sulfur utilization during solid-solid sulfur reactions, leading to significant challenges to achieve efficient performance in high-mass-loading ASSLSBs. Here, operando neutron image is employed to directly visualize, for the first time, that sluggish Li + transport kinetics and the uneven distribution of Li + during cathodic reactions are critical factors limiting sulfur conversion. To address this issue, gradient cathode architectures comprising three and five layers are designed, in which catholyte concentrations are strategically varied to optimize Li-ion flux and enhance ionic conductivity of the whole composite cathode electrode. Operando neutron imaging distinctly visualizes and confirms that three-layer gradient approach significantly enhances Li-ion mobility, resulting in more uniform redox reactions and greatly improved sulfur utilization compared to traditional non-gradient structures. Consequently, the three-layer gradient cathode achieves superior rate performance and reduced electrode polarization at high sulfur mass loadings of 4.5 and 6.0 mg cm −2 . Furthermore, the applicability and scalability of this design are demonstrated in a five-layer gradient cathode architecture, achieving an impressive discharge specific capacity increase from 656 mAh g −1 (three-layer gradient) to 1232 mAh g −1 at 1/20 C for ultra-high sulfur loading of 7.5 mg cm −2 . In conclusion, this innovative gradient cathode design offers substantial advancements in understanding and overcoming Li-ion transport limitations, paving the way toward practical, high-energy-density ASSLSBs.

25 ENERGY STORAGE↗

Cell-Type-Specific Proteomics Analysis of a Small Number of Plant Cells by Integrating Laser Capture Microdissection with a Nanodroplet Sample Processing Platform

Plant organs and tissues contain multiple cell types, which are well organized in 3-dimensional structure to efficiently perform physiological functions such as homeostasis, response to environmental perturbation, pathogen infection. It is critically important to perform molecular measurements at the cell-type-specific level to discover mechanisms and unique features of cell populations that govern differentiation and respond to external perturbations. Although mass spectrometry-based proteomics has been demonstrated as an enabling discovery tool to study plant physiology, conventional approaches require millions of cells to generate robust biological conclusions. Such requirements mask the cell-to-cell heterogeneities and limit the comprehensive profiling of plant proteins at spatially resolved and cell-type-specific resolutions. This protocol describes a recently-developed proteomics workflow for studying a small number of plant cells by integrating laser capture microdissection, microfluidic nanodroplet-based sample preparation, with ultrasensitive liquid chromatography-mass spectrometry. Using poplar as a model tree species, we provide detailed protocols, including plant tissue harvest, tissue preparation, cryosectioning, laser microdissection, protein digestion, mass spectrometry measurement, and data analysis. We show the workflow enables the precise identification and quantification of thousands of proteins from hundreds of isolated plant root and leaf cells.

59 BASIC BIOLOGICAL SCIENCES↗

Detecting multi‐scale riverine topographic variability and its influence on Chinook salmon habitat selection

Abstract Quantifying geomorphic conditions that impact riverine ecosystems is critical in river management due to degraded riverine habitat, changing flow and thermal conditions, and increasing anthropogenic pressure. Geomorphic complexity at different scales directly impacts habitat heterogeneity and affects aquatic biodiversity resilience. Here we showed that the combination of continuous spatial survey at high resolution, topobathymetric light detection and ranging (LiDAR), and continuous wavelet analysis can help identify and characterize that complexity. We used a continuous wavelet analysis on 1‐m resolution topobathymetry in three rivers in the Salmon River Basin, Idaho (USA), to identify different scales of topographic variability and the potential effects of this variability on salmonid redd site selection. On each river, wavelet scales characterized the topographic variability by portraying repeating patterns in the longitudinal profile. We found three major representative spatial wavelet scales of topographic variability in each river: a small wavelet scale associated with local morphology such as pools and riffles, a mid‐wavelet scale that identified larger channel unit features, and a large wavelet scale related to valley‐scale controls. The small wavelet scale was used to identify pools and riffles along the entire lengths of each river as well as areas with differing riffle‐pool development. Areas along the rivers with high local topographic variability (high wavelet power) at all wavelet scales contained the largest features (i.e., deepest or longest pools) in the systems. By comparing the wavelet power for each wavelet scale to Chinook salmon redd locations, we found that higher small‐scale wavelet power, which is related to pool‐riffle topography, is important for redd site selection. The continuous wavelet methodology objectively identified scales of topographic variability present in these rivers, performed efficient channel‐unit identification, and provided geomorphic assessment without laborious field surveys.

Duffin, Jenna↗

Polymers in direct air capture: a mini review

The urgent need to mitigate climate change has intensified interest in direct air capture (DAC) technology, which targets extracting carbon dioxide (CO2) directly from the atmosphere. Among the various sorbents used in DAC, polymers have emerged as a promising solution, either as active sorbents or as structural supports for active DAC materials, due to their customizable properties, scalability and low cost. This mini-review investigates the latest trends in polymer-based materials for DAC and identifies critical research gaps, such as the need for thorough lifecycle assessments and in-depth studies on the degradation of polymeric materials. It also outlines future directions, emphasizing the importance of developing cost-effective, scalable and durable polymers that can perform efficiently across diverse climatic conditions, including the unique challenges presented by cold weather regions abundant in renewable energy. This mini-review aims to inform ongoing efforts in the design and utilization of polymeric sorbents, providing insights that could guide the development of economically viable and environmentally sustainable DAC technologies.

climate change↗

The Importance of Nonequilibrium to Equilibrium Transition Pathways for the Efficiency and Stability of Organic Solar Cells

Controlled morphology of solution-processed thin films have realized impressive achievements for non-fullerene acceptor (NFA)–based organic solar cells (OSCs). Given the large set of donor–acceptor pairs, employing various processing conditions to realize optimal morphology for high efficiency and stable OSCs is a strenuous task. Therefore, comprehensive correlations between processing conditions and morphology evolution pathways have to be developed for efficient performance and stability of devices. Within the framework of the blend system, crystallization transitions of NFA molecules are tracked utilizing the first heating scan of differential scanning calorimeter (DSC) measurement correlating with respective morphology evolution of blend films. Real-time dynamics measurements and morphology characterizations are combined to provide optimal morphology transition pathways as NFA molecules are shown to be released from the mixed phase to form balanced ordered packing with variant processing conditions. Polymer:NFA films are fabricated using blade coating incorporating solvent additive or thermal annealing as processing conditions as a correlation is formulated between performance and stability of solar cells with morphology transition pathways. In conclusion, this work demonstrates the significance of processing condition-controlled transition pathways for the realization of optimal morphology leading to superior OSC devices.

14 SOLAR ENERGY↗

IRIS Reimagined: Advancements in Intelligent Runtime System for Task-Based Programming

Task-based programming models are gaining traction in scientific computing. IRIS is a portable runtime system that exploits multiple heterogeneous programming systems and can discover available resources and manage multiple diverse programming systems (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, and OpenMP) simultaneously. It accounts for the constraints of task dependencies and provides customizable scheduling policies to map those tasks to heterogeneous devices. In this paper, we present new capabilities added to IRIS to improve its portability for heterogeneous programming, build-friendliness, and performance efficiency. The new additions include vendor-specific kernel support, a runtime system with a foreign function interface to eliminate writing wrapper or boilerplate code for heterogeneous kernels, an easy-to-use and configurable CMake-based build environment, automatic and efficient data transfers and orchestration, and the Hunter and DAGGER toolchains to evaluate IRIS’s task scheduling algorithms.

Miniskar, Narasinga Rao↗

Coaction and double-copy properties of configuration-space integrals at genus zero

We investigate configuration-space integrals over punctured Riemann spheres from the viewpoint of the motivic Galois coaction and double-copy structures generalizing the Kawai-Lewellen-Tye (KLT) relations in string theory. For this purpose, explicit bases of twisted cycles and cocycles are worked out whose orthonormality simplifies the coaction. We present methods to efficiently perform and organize the expansions of configuration-space integrals in the inverse string tension α' or the dimensional-regularization parameter ϵ of Feynman integrals. Generating-function techniques open up a new perspective on the coaction of multiple polylogarithms in any number of variables and analytic continuations in the unintegrated punctures. We present a compact recursion for a generalized KLT kernel and discuss its origin from intersection numbers of Stasheff polytopes and its implications for correlation functions of two-dimensional conformal field theories. We find a non-trivial example of correlation functions in (p, 2) minimal models, which can be normalized to become uniformly transcendental in the p → ∞ limit.

Conformal Field Theory↗

CGC for ultra-peripheral Pb+Pb collisions at the Large Hadron Collider: a more realistic calculation

We provide the first calculation of two-gluon production at mid-rapidity in ultra-peripheral collisions in the Color Glass Condensate framework. To estimate systematic uncertainty associated with poor understanding of the wave function of the nearly real photon, we consider two diametrically different models: the dilute quark-antiquark dipole approximation and a vector meson, in which color charge density is approximated by McLerran-Venugopalan model. In the experimentally relevant range, the target nucleus can be faithfully approximated by a highly saturated state. This simplification enables us to perform efficient numerical simulations and extract the two-gluon correlation functions and the associated azimuthal harmonics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Using GANs to predict milling stability from limited data

Milling is a key manufacturing process that requires the selection of operating parameters that provide efficient performance. However, the presence of chatter, a self-excited vibration causing poor surface finish and potential damage to the machine and cutting tool, makes it challenging to select the appropriate parameters. To predict chatter, stability maps are commonly used, but their generation requires expensive data, making it difficult to employ these maps in industry. Therefore, there is a pressing need for an approach that can accurately predict stability maps using limited experimental data. This study introduces the new Encoder GAN (EGAN) approach based on Generative Adversarial Networks (GANs) that predicts stability maps using limited experimental data. The approach consists of the encoder, generator, and discriminator subnetworks and uses the trained encoder and generator to predict the target stability map. This versatile method can be applied to various tool setups and can accurately predict stability maps with limited experimental data (five to 10 cutting tests) even when there is little information available for unknown parameters. In conclusion, the study evaluates the proposed approach using both numerical data and experiments and demonstrates its superior performance compared to state-of-the-art benchmarks.

42 ENGINEERING↗

Peridynamic Models for Random Media Found by Coarse Graining

Using coarse graining, the upscaled mechanical properties of a solid with small scale heterogeneities are derived. The method maps internal forces at the small scale onto peridynamic bond forces in the coarse grained mesh. These upscaled bond forces are used to calibrate a peridynamic material model with position-dependent parameters. These parameters incorporate mesoscale variations in the statistics of the small scale system. The upscaled peridynamic model can have a much coarser discretization than the original small scale model, allowing larger scale simulations to be performed efficiently. The convergence properties of the method are investigated for representative random microstructures. In conclusion, a bond breakage criterion for the upscaled peridynamic material model is also demonstrated.

36 MATERIALS SCIENCE↗

Sensitivity Analysis of an Electrospray Dehumidification System

Electrically enhanced condensation achieved by an electrospray system can enhance dehumidification in HVAC applications if successfully scaled up. The first step towards scale-up is identifying critical design and operating parameters that significantly impact dehumidification for the electrospray system. Sensitivity analysis is one approach for identifying critical parameters. This paper presents a methodology that can efficiently perform quantitative sensitivity analysis on a computationally expensive high fidelity simulation model, which is a computational fluid dynamics (CFD) model of the electrospray system. The methodology employs surrogate modeling and Sobol sensitivity analysis. We estimate the main and total effect Sobol sensitivity indices of four operating parameters of the electrospray system. The results reveal that the most important parameter is the size of the sprayed droplets, followed by the volumetric flow rate of the bulk air and injected water in the system. The water injection velocity of the spray was found to have little to no impact on dehumidification.

Young, David↗

Mechanical separations of corn stover anatomical fractions in an integrated feedstock preprocessing system: An experimental and data-driven modeling study

High variabilities of material attributes in lignocellulosic biomass present risks for biofuel and biochemical productions and must be mitigated via preprocessing. Since almost no mechanical device is originally designed for processing biomass, how to operate existing apparatuses with efficient performance has not been investigated extensively. This work presents a study on an integrated screening and air classification to separate cobs and stalks from husks and leaves in corn stover. Prototype machine learning models were developed to assess the feasibility of predicting the process outcome based on the measurable parameters. The models trained upon limited experimental data rendered decent predictive accuracy of yield and purity. The experimental data and modeling results collectively suggest decreasing throughput leads to a higher purity. To the contrary, if throughput increases, a lower purity is likely. A possible trade-off between yield and purity of the separated streams indicates the need for optimal combinations of feedstock size, moisture, and throughput to achieve optimized separations. The results of this study also suggest the need to further improve model predictability by developing more accurate formulations for physics governing the integrated unit operations. To accomplish this, additional experimental data needs to be generated for model training.

09 - BIOMASS FUELS↗