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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 613 records · Page 34

High-resolution structure of the Escherichia coli ribosome

Protein synthesis by the ribosome is highly dependent on the ionic conditions in the cellular environment, but the roles of ribosome solvation remain poorly understood. Moreover, the function of modifications to ribosomal RNA and ribosomal proteins are unclear. Here we present the structure of the Escherichia coli 70S ribosome to 2.4 Å resolution. The structure reveals details of the ribosomal subunit interface that are conserved in all domains of life, and suggest how solvation contributes to ribosome integrity and function. The structure also suggests how the conformation of ribosomal protein uS12 likely impacts its contribution to messenger RNA decoding. In conclusion, this structure helps to explain the phylogenetic conservation of key elements of the ribosome, including posttranscriptional and posttranslational modifications and should serve as a basis for future antibiotic development.

59 BASIC BIOLOGICAL SCIENCES↗

Materializing Inter-Channel Relationships With Multi-Density Woodcock Tracking

Volume rendering techniques for scientific visualization have recently shifted toward Monte Carlo (MC) methods for their flexibility and robustness, but their use in multi-channel visualization remains underexplored. Traditional multi-channel volume rendering often relies on arbitrary, non-physically based color blending functions that hinder interpretation. Here, we introduce multi-density Woodcock tracking, a simple extension of Woodcock tracking that leverages an MC method to produce high-fidelity, physically grounded multi-channel renderings without arbitrary blending. By generalizing Woodcock’s distance tracking, we provide a unified blending modality that also integrates blending functions from prior works. We further implement effects that enhance boundary and feature recognition. By accumulating frames in real-time, our approach delivers high-quality visualizations with perceptual benefits, demonstrated on diverse datasets.

97 MATHEMATICS AND COMPUTING↗

Multiscale modeling and cinematic visualization of photosynthetic energy conversion processes from electronic to cell scales

We report conversion of sunlight into chemical energy, namely photosynthesis, is the primary energy source of life on Earth. A visualization depicting this process, based on multiscale computational models from electronic to cell scales, is presented in the form of an excerpt from the fulldome show Birth of Planet Earth. This accessible visual narrative shows a lay audience, including children, how the energy of sunlight is captured, converted, and stored through a chain of proteins to power living cells. The visualization is the result of a multi-year collaboration among biophysicists, visualization scientists, and artists, which, in turn, is based on a decade-long experimental-computational collaboration on structural and functional modeling that produced an atomic detail description of a bacterial bioenergetic organelle, the chromatophore. Software advancements necessitated by this project have led to significant performance and feature advances, including hardware-accelerated cinematic ray tracing and instanced visualizations for efficient cell-scale modeling. The energy conversion steps depicted feature an integration of function from electronic to cell levels, spanning nearly 12 orders of magnitude in time scales. This atomic detail description uniquely enables a modern retelling of one of humanity’s earliest stories—the interplay between light and life.

97 MATHEMATICS AND COMPUTING↗

Meshless Petrov-Galerkin Method Applied to Axisymmetric Problems

An axisymmetric Meshless Local Petrov-Galerkin (MLPG) algorithm is presented for the potential and elasticity problems. In this algorithm the trial and test functions are chosen from different spaces. By a judicious choice of these functions, the integrals involved in the weak form can be restricted to a local neighborhood. This makes the method truly meshless. The MLPG algorithm is used to study various potential and elasticity problems for which exact solutions are available. The sensitivity and effectiveness of the MLPG algorithm to various parameters such as the weight functions, basis functions and support domain radius, etc. was studied. The MLPG algorithm yielded accurate solutions for all weight functions, basis functions and support domain radii considered for all of the problems studied.

Raju, I. S.↗

Is there a role for cardiac positron emission tomography in hypertrophic cardiomyopathy?

Coronary microvascular dysfunction and, its functional consequence, myocardial ischemia are common pathologic features in patients with hypertrophic cardiomyopathy (HCM). Both have been commonly invoked as potential triggers of and/or contributors to the underlying pathophysiological processes leading to heart failure, and malignant ventricular arrhythmias. Positron emission tomography (PET) with myocardial blood flow quantification provides a unique opportunity to evaluate the integrity and function of the coronary microcirculation in HCM. The purpose of the present review is to summarize all the pertinent literature and future perspectives of the role of PET in the evaluation and risk stratification of patients with HCM.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Advanced and functional composite materials via additive manufacturing: Trends and perspectives

Additive manufacturing (AM) has many advantages over conventional subtractive manufacturing methods. The cost-effective AM allows for precise fabrication of complex structures with less material waste, making it a popular manufacturing process in many applications. The recent development of AM materials has advanced significantly. Further, by precisely controlling material distribution and microstructural features, AM facilitates the creation of new composites with specific requirements. AM techniques have contributed considerably to integrating unique functionalities for various applications. This review emphasizes multiple categories of materials, including metal alloys, polymer-based composites, and sustainable composites, as well as applications of sensing materials and strategies and emerging artificial intelligence and machine learning.

36 MATERIALS SCIENCE↗

Evaluating Energy Absorption Methods for Integrated Composite Seat Designs

Composite materials have become ubiquitous in the aerospace industry due to their exceptionally light weight and high strength characteristics, as well as their unique ability to be engineered and tailored to meet specific loading conditions and performance requirements. These advanced materials offer superior strength-to-weight ratios compared to traditional metallic materials, making them particularly valuable in weight-critical aerospace applications where every pound saved translates to improved efficiency and performance. In currently operating fleets of commercial and military aircraft, composite materials have been successfully applied to critical structural components, including primary load-bearing elements such as the fuselage sections and flooring structures, which must withstand significant in-flight loads and provide passenger safety. Additionally, these materials have been specifically tailored and optimized for aerodynamic components such as wings and tail assemblies, where their ability to be molded into complex shapes while maintaining structural integrity is particularly advantageous. The application of composite materials extends beyond primary structural elements into the realm of internal cabin components, most notably in innovative seat designs where weight reduction and structural integration are paramount concerns. Modern composite seat structures can be designed to integrate multiple functions, including structural support, comfort features, and safety systems, all while maintaining the lightweight characteristics essential for aircraft performance.

Digital image correlation↗

Development of a High-Rate Lithium-Air Battery Using a Gaseous CO 2 Reactant

Li-air batteries are considered a potential alternative to Li-ion batteries for transportation applications due to their high theoretical specific energy. Most works in this area focus on use of O 2 as the reactant. However, newer concepts for using gaseous reactants (such as CO 2 , which has a theoretical specific energy density of 1,876 Wh/kg) provide opportunities for further exploration. The main objective of this project was the development of a novel strategy that enables operation of Li-CO 2 batteries at high-capacity and high-rate, with a long-cycle-life. The team was able to: (1) Synthesize two novel transition metal chalcogenide (TMC) catalysts that work in synergy with ionic liquid-based electrolytes to enhance the efficiency of reactions during discharge and charge processes; (2) Fabricate high-porosity cathode electrodes with 3D printing to increase electrode surface area and gas permeability; (3) Develop a multiscale modeling framework that integrates Density Functional Theory (DFT), Ab-Initio Molecular Dynamics (AIMD), classical Molecular Dynamics (MD), and Finite Element Analysis (FEA) to investigate atomic and cell-level properties of Li-CO 2 batteries; (4) Assemble a stackable Li-CO 2 pouch-cell able to deliver a capacity of >200 mAh. These achievements were realized through an integrated approach based on materials synthesis, testing, characterization, analysis, and computation. This project produced a thorough understanding of key chemical, electronic, and kinetic parameters that govern the operation of Li- CO 2 batteries in realistic conditions. The methodologies employed, and the insight generated, will be valuable beyond advancing the field of Li-CO 2 batteries

25 ENERGY STORAGE↗

Mode-multiplexed photonic integrated vector dot-product core from inverse design

Photonic computing has the potential to harness the full degrees of freedom (DOFs) of the light field, including the wavelength, spatial mode, spatial location, phase quadrature, and polarization, to achieve a higher level of computing parallelism and scalability than digital electronic processors. While multiplexing using the wavelength and other DOFs can be readily integrated on silicon photonics platforms with compact footprints, conventional mode-division multiplexed (MDM) photonic designs occupy areas exceeding tens to hundreds of microns for a few spatial modes, significantly limiting their scalability. Here, we utilize inverse design to demonstrate an ultracompact photonic computing core that calculates vector dot products based on MDM coherent mixing. Our dot-product core integrates the functionalities of two-mode multiplexers and one multimode coherent mixer within a nominal footprint of 5 μm x 3 μm . We have experimentally demonstrated computing examples on the fabricated dot-product core, including complex number multiplication and motion estimation using optical flow. The compact dot-product core design enables large-scale on-chip integration in a parallel photonic computing primitive cluster for high-throughput scientific computing and computer vision tasks.

97 MATHEMATICS AND COMPUTING↗

Pixelized Device Control Actuators for Large Adaptive Optics

A fully integrated, compact, adaptive space optic mirror assembly has been developed, incorporating new advances in ultralight, high-performance composite mirrors. The composite mirrors use Q-switch matrix architecture-based pixelized control (PMN-PT) actuators, which achieve high-performance, large adaptive optic capability, while reducing the weight of present adaptive optic systems. The self-contained, fully assembled, 11x11x4-in. (approx.= 28x28x10-cm) unit integrates a very-high-performance 8-in. (approx.=20-cm) optic, and has 8-kHz true bandwidth. The assembled unit weighs less than 15 pounds (=6.8 kg), including all mechanical assemblies, power electronics, control electronics, drive electronics, face sheet, wiring, and cabling. It requires just three wires to be attached (power, ground, and signal) for full-function systems integration, and uses a steel-frame and epoxied electronics. The three main innovations are: 1. Ultralightweight composite optics: A new replication method for fabrication of very thin composite 20-cm-diameter laminate face sheets with good as-fabricated optical figure was developed. The approach is a new mandrel resin surface deposition onto previously fabricated thin composite laminates. 2. Matrix (regenerative) power topology: Waveform correction can be achieved across an entire face sheet at 6 kHz, even for large actuator counts. In practice, it was found to be better to develop a quadrant drive, that is, four quadrants of 169 actuators behind the face sheet. Each quadrant has a single, small, regenerative power supply driving all 169 actuators at 8 kHz in effective parallel. 3. Q-switch drive architecture: The Q-switch innovation is at the heart of the matrix architecture, and allows for a very fast current draw into a desired actuator element in 120 counts of a MHz clock without any actuator coupling.

Knowles, Gareth J.↗

Salt Vessel-Sample Generator Interface

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness and accuracy of sampling-based accountancy measurements. One technology under development is a vacuum sampler loop module. In this system, molten salt is drawn from a process vessel through a heated sampling line and into a charge vessel. Next, one or more samples are split from the volume in the charge vessel and the remaining salt is returned to the process. The vacuum sampler loop module is being developed to interface with other sample processing and analysis modules to enable rapid at-line sample characterization. The main purpose of the vacuum sampling loop module is to enable the collection of samples that are more representative of the bulk salt by replacing traditional point samplers (i.e., dip probes) with a sampling approach that captures a larger cross section of salt. Additionally, the vacuum sampling approach eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. Two methods of interfacing the vacuum sampling loop with a precision pneumatic sample generator were investigated in FY21. This report covers the testing of fluidic coupling between the two modules. Two iterations of the fluidically coupled modules were tested. The first iteration system coupled the two modules using a freeze valve to seal the vacuum sampler during filling and to control flow into the pneumatic sample generator. While this integrated system functioned as intended, some changes were implemented to make the system more robust and better suited to remote deployment. Specifically, the system was made to be more modular and active control of the vacuum filling operation was replaced with a passive control mechanism. For passive filling, the salt charge vessel was vented to a small gas tank that was at negative pressure, causing salt to be drawn into the vessel until the force of the fluid head was in equilibrium with the gas pressure. The passive control system performed well and will be used in future iterations. Another change in the second system was a newly configured pneumatic sample generator in which sample ejection occurred through a hole in the reservoir’s stainless-steel side wall instead of through a non-wetted sapphire orifice on the bottom. This alternate configuration may be better suited for near-process deployment because it enables on-line orifice maintenance and an orifice bypass drain back to the process. A third change in the second iteration system was the transition to a two-chamber charge vessel which split off a fraction of the sampled salt as a liquid aliquot. The goal was to create a buffer mechanism that would allow reproducible aliquoting of samples, independently of variability in the charge vessel fill height. While the two-chamber design was functional, the sample size reproducibility was below target values. To improve reproducibility and overcome many of the impediments to remote deployment of the vacuum sampling loop module, separate work was conducted to replace the two-chamber liquid aliquoting mechanism with aliquoting into single-use sample tubes. Solid salt transfer in the sample tubes will replace fluidic coupling for integrating the vacuum sampler with downstream modules. Because the proposed operations can all be executed with simple overhead actuation mechanisms or other existing hot-cell technology, there will be no need for large investments in novel hot cell sample handling technologies using this alternate approach. As such, near-term deployment of the vacuum sampling technology will be achievable. This new approach for automated coupling of sample tubes with down-stream modules is covered in a separate FY21 report, and a remotely operated version of the vacuum sampler loop module with the tube aliquoting feature is planned for FY22.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An integrated framework of plant form and function: the belowground perspective

Summary Plant trait variation drives plant function, community composition and ecosystem processes. However, our current understanding of trait variation disproportionately relies on aboveground observations. Here we integrate root traits into the global framework of plant form and function. We developed and tested an overarching conceptual framework that integrates two recently identified root trait gradients with a well‐established aboveground plant trait framework. We confronted our novel framework with published relationships between above‐ and belowground trait analogues and with multivariate analyses of above‐ and belowground traits of 2510 species. Our traits represent the leaf and root conservation gradients (specific leaf area, leaf and root nitrogen concentration, and root tissue density), the root collaboration gradient (root diameter and specific root length) and the plant size gradient (plant height and rooting depth). We found that an integrated, whole‐plant trait space required as much as four axes. The two main axes represented the fast–slow ‘conservation’ gradient on which leaf and fine‐root traits were well aligned, and the ‘collaboration’ gradient in roots. The two additional axes were separate, orthogonal plant size axes for height and rooting depth. This perspective on the multidimensional nature of plant trait variation better encompasses plant function and influence on the surrounding environment.

59 BASIC BIOLOGICAL SCIENCES↗

Ultra-scalable Multifunctional Nanoengineered Cu and Al surfaces for anti-biofouling applications

Biofouling disrupts surface functionality and integrity of engineered substrates. A variety of natural materials such as plant leaves and insect wings have evolved sophisticated physical mechanisms capable of preventing biofouling. Over the past decade, several reports have pinpointed nanoscale surface topography as an important regulator of the surface adhesion and growth of bacteria. Although artificial nanoengineered features have been used to create bactericidal materials that kill adhered bacteria, functional surfaces capable of synergistically providing anti-biofouling and bactericidal properties remain to be developed. Furthermore,fundamental questions pertaining to the need for intrinsic hydrophobicity to achieve bactericidal performance or the crucial role played by structure length scale (nano vs. micro), remain to be answered. Here, we demonstrate highly scalable, cost effective, and efficient nanoengineered multifunctional surfaces that possess both anti-biofouling and bactericidal properties on industrially relevant copper (Cu) and aluminum (A1) substrates. We characterize biofouling and bactericidal performance using a combination of scanning electron microscopy (SEM), atomic force microscopy (AFM), live-dead bacterial staining and imaging, as well as solution phase measurements of bacterial viability. SEM results showed that nanostructures created on both Cuand Al were capable of physical deformation of adhered E. coli . Bacterial viability measurements on both Cu and Al indicated a complex interaction between the anti-biofouling and bactericidal nature of these materials and their surface topography, chemistry, and structure. We found that nano-length structures, as compared to micro-length, provide improved bactericidal properties,and that increased hydrophobicity greatly decreased the of adhered bacteria while also modestly increasing the surfaces killing capacity. This study provides additional insights into design guidelines for materials that are not only bactericidal, but also anti-biofouling, using a simple and economic method.

59 BASIC BIOLOGICAL SCIENCES↗

Technical Workings of the 6D Phase Measurement at SNS

The Beam Test Facility (BTF) is a functional duplicate of the Spallation Neutron Source (SNS) frontend with a 2.5 MeV beam on which the first six-dimensional phase space measurement has been completed. This presentation will show the technical underpinnings involved in performing the 6D scan with the BTF. The first part will examine the diagnostic setup involving apertures, a screen, and a bunch shape monitor and how the integrated system functions. The next part will cover the scan logic used in the software. The last part will briefly discuss ongoing efforts to analyze 6D measurements and identify correlations.

Cathey, Brandon↗

Transactive System: Part I: Theoretical Underpinnings of Payoff Functions, Control Decisions, Information Privacy, and Solution Concepts

The increased penetration of renewable energy has significantly changed the conditions and the operational timing of the electricity grid. More flexible, faster ramping resources are needed to compensate for the uncertainty and variability introduced by renewable energy. Distributed energy resources (DERs) such as distributed generators, energy storage, and controllable loads could help manage the power grid in terms of both economic efficiency and operational reliability. In order to realize the benefits of DERs, coordination and control approaches must be designed to enable seamless integration of DERs into the power grid. Transactive coordination and control is a new approach for DER integration, where individual resources are automated and engaged through market interaction. Transactive approaches use economic signals—prices or incentives—to engage DERs. These economic signals must reflect the true value of the DER contributions, so that they seamlessly and equitably compete for the opportunities that today are only available to grid-owned assets. Value signals must be communicated to the DERs in near-real time, the assets must be imbued with new forms of distributed intelligence and control to take advantage of the opportunities presented by these signals, and they must be capable of negotiating and transacting a range of market-driven energy services. The concepts of transactive energy systems are not new, but build upon evolutionary economic changes in financial and electric power markets. These concepts also recognize the different regional structures of wholesale power markets, electricity delivery markets, retail markets, and vertically integrated service provider markets. Although transactive energy systems are not revolutionary, they will be transformational in their ability to provide flexibility and operational efficiency. A main goal of this research is to establish useful foundation for analysis of transactive energy systems and to facilitate new transactive energy system design with demonstrable guarantees on stability and performance. Specifically, the goals are to (1) establish a theoretical basis for evaluating the performance of different transactive systems, (2) devise tools to address canonical problems that exemplify challenges and scenarios of transactive systems, and (3) provide guidelines for design of future transactive systems. This report, Part 1 of a two part series, advances the above-listed research objectives by reviewing existing transactive systems and identifying a theoretical foundation that integrates payoff functions, control decisions, information privacy, and mathematical solution concepts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Transactive System: Part I: Theoretical Underpinnings of Payoff Functions, Control Decisions, Information Privacy, and Solution Concepts

The increased penetration of renewable energy has significantly changed the conditions and the operational timing of the electricity grid. More flexible, faster ramping resources are needed to compensate for the uncertainty and variability introduced by renewable energy. Distributed energy resources (DERs) such as distributed generators, energy storage, and controllable loads could help manage the power grid in terms of both economic efficiency and operational reliability. In order to realize the benefits of DERs, coordination and control approaches must be designed to enable seamless integration of DERs into the power grid. Transactive coordination and control is a new approach for DER integration, where individual resources are automated and engaged through market interaction. Transactive approaches use economic signals—prices or incentives—to engage DERs. These economic signals must reflect the true value of the DER contributions, so that they seamlessly and equitably compete for the opportunities that today are only available to grid-owned assets. Value signals must be communicated to the DERs in near-real time, the assets must be imbued with new forms of distributed intelligence and control to take advantage of the opportunities presented by these signals, and they must be capable of negotiating and transacting a range of market-driven energy services. The concepts of transactive energy systems are not new, but build upon evolutionary economic changes in financial and electric power markets. These concepts also recognize the different regional structures of wholesale power markets, electricity delivery markets, retail markets, and vertically integrated service provider markets. Although transactive energy systems are not revolutionary, they will be transformational in their ability to provide flexibility and operational efficiency. A main goal of this research is to establish useful foundation for analysis of transactive energy systems and to facilitate new transactive energy system design with demonstrable guarantees on stability and performance. Specifically, the goals are to (1) establish a theoretical basis for evaluating the performance of different transactive systems, (2) devise tools to address canonical problems that exemplify challenges and scenarios of transactive systems, and (3) provide guidelines for design of future transactive systems. This report, Part 1 of a two part series, advances the above-listed research objectives by reviewing existing transactive systems and identifying a theoretical foundation that integrates payoff functions, control decisions, information privacy, and mathematical solution concepts.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Van der Waals epitaxy of functional MoO{sub 2} film on mica for flexible electronics

Flexible electronics have a great potential to impact consumer electronics and with that our daily life. Currently, no direct growth of epitaxial functional oxides on commercially available flexible substrates is possible. In this study, in order to address this challenge, muscovite, a common layered oxide, is used as a flexible substrate that is chemically similar to typical functional oxides. We fabricated epitaxial MoO{sub 2} films on muscovite via pulsed laser deposition technique. A combination of X-ray diffraction and transmission electron microscopy confirms van der Waals epitaxy of the heterostructures. The electrical transport properties of MoO{sub 2} films are similar to those of the bulk. Flexible or free-standing MoO{sub 2} thin film can be obtained and serve as a template to integrate additional functional oxide layers. Our study demonstrates a remarkable concept to create flexible electronics based on functional oxides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗