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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 127 records · Page 7

Communication — The Impact of Co-solvent Selection for Dimethyl-2,5-dioxahexane carboxylate in Sodium Ion Batteries

Traditional linear carbonates including dimethyl carbonate (DMC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC) were investigated as co-solvents for the dimethyl-2,5-dioxahexane carboxylate (DMOHC)-based electrolyte in Na 0.97 Ca 0.03 [Mn 0.39 Fe 0.31 Ni 0.22 Zn 0.08 ]O 2 (NCMFNZO)/hard carbon (HC) pouch cells. The EMC-containing cell displays excellent electrochemical performance, exhibiting only a 1.6 mAh irreversible capacity loss during 500 h of storage at 4 V and 40 °C, and maintaining over 80% capacity retention after 200 cycles up to 4 V at 40 °C. Severe gas evolution and Na plating issues are present in all the tested systems.

25 ENERGY STORAGE↗

Overcoming efficiency and cost barriers for large-area quantum dot photovoltaics through stable ink engineering

The bottom-up construction of electronics from colloidal quantum dots (CQDs) could innovate nanotechnology manufacturing through printing. However, the unstable and expensive semiconductive CQD inks make the scaling up of CQD electronics challenging. Here, in this study, we develop a strategy for engineering the solution chemistry of lead sulfide (PbS) CQD inks prepared from a low-cost direct synthesis method. By creating an iodine-rich environment in weakly coordinating solvents, we convert the iodoplumbates into functional anions, which condense into a robust surface shell. The fully charged electrostatic surface layer prevents aggregation and epitaxial fusion of CQDs, yielding stable inks. By eliminating the fusion-induced inter-band states, we print a compact CQD film with uniformity in three dimensions, flattened energy landscape and improved carrier transport. We achieved a certified efficiency of 13.40% on 0.04 cm 2 cells, with a 300-fold increase in active area, scaling up to a 12.60 cm 2 module with a certified efficiency of 10%.

14 SOLAR ENERGY↗

Safe, Low-Cost, High Energy-Density, Solid-State Li-Ion Batteries

We developed intrinsically safe, robust, low-cost, high-energy-density solid-state Li-ion batteries, by integrating high conductivity garnet-type solid Li ion electrolytes and several different cathodes in tailored microstructures, fabricated by low-cost supported thin-film ceramic techniques, to overcome the primary technological barriers to next generation battery technology. In this ARPA-E project we employed Li-garnet solid-state electrolytes pioneered by one of the co-investigators (Thangadurai) which has room temperature (RT) conductivity of ~10 -3 S cm -1 . The highly stable garnet SSE allowed the use of S, NMC, and other cathodes with Li metal anodes without stability or flammability concerns. We studied the garnet’s stability when exposed to CO 2 and humidity (with or without an ALD coating) and showed that the material can be processed in ambient air for most steps prior to battery assembly, significantly reducing production costs. We extensively studied and scaled up the synthesis of the powder and explored external suppliers of garnet to determine the best pathway for commercial success. We used low-cost and scalable tapecasting fabrication methods to create porous-dense-porous “trilayer” solid electrolyte microstructures with a ~20 μm separating dense layer, and >70% porosity porous layers to host the electrodes. These scalable multilayer ceramic fabrication techniques, without need for dry rooms or vacuum equipment, also provide for dramatically reduced manufacturing costs. The tailored microstructured electrode supports (scaffold) increased interfacial area ~50x, overcoming the high impedance typical of planar geometry SSLiBs, resulting in record-setting 10 mA/cm 2 lithium cycling in a symmetric cell. We expanded our tapecasting ability and showed tapes >25m in length by the end of the project. We demonstrated the ability to sinter garnet without the use of a garnet powderbed, which could have been a major obstacle and waste of material at scale. At the same time, we expanded the size of our trilayers from coin cells (0.7 cm 2 ) to the full format design (30 cm 2 ). To develop full cells, we demonstrated 250 Wh/kg at room temperature with commercial NMC electrode films in a bilayer configuration. Similarly, we demonstrated 280 Wh/kg trilayer Li-S cells at room temperature with >90% capacity retention over 300 cycles. At 90°C we demonstrated 350 Wh/kg with a Li-S trilayer. The high thermal stability of the garnet electrolyte also enabled extended cycling (400 cycles) of a Li-TiS 2 cell at 150 °C, showcasing the exceptional safety and nonflammability of the solid-state trilayer batteries. Ion Storage Systems has taken this technology and knowledge to produce trilayer garnet electrolytes and is building out facilities to commercialize high performance solid state batteries. ISS has hired a strong staff, identified and communicated with a large number of potential partners, and successfully secured follow-on funding.

25 ENERGY STORAGE↗

Scalable multiscale modeling of platelets with 100 million particles

Here, we developed the core components of the AI-aided multiple time stepping algorithm for multiscale modeling of cell dynamics. This algorithm was implemented and analyzed on two supercomputer architectures with an application of simulating the aggregation of 250 platelets, or 102 million particles. To scale on these computers with complex memory and network architectures with GPUs, we devised a biomechanics-informed task mapping scheme to optimize load imbalance, communications, and memory utilization. Our simulations, scaling well up to 192 nodes on a Summit-like supercomputer with a peak speed of 11 petaflops, achieved a rate of 423 μs/day which is 500 times faster than the conventional algorithm using static time step and this has enabled studies of record size blood clots at record spatial–temporal resolutions. Additionally, we discovered the sensitive dependence of the scalability and execution time on the methods of decomposition, CPU–GPU coupling, and task mapping.

97 MATHEMATICS AND COMPUTING↗

Flow-through electrode capacitive deionization cell

Disclosed here is a capacitive deionization device for removing ions from a target solution. The capacitive deionization device includes a first porous electrode, a second porous electrode, a first header plate, a second header plate, and a sealant. The second porous electrode is disposed below and spaced from the first porous electrode. The first header plate is disposed on the first porous electrode. The first header plate defines an input flow channel that is in fluidic communication with the first porous electrode. The second header plate is disposed below the second porous electrode. The second header plate defines an output flow channel that is in fluidic communication with the second porous electrode. The sealant is disposed between the first header plate and the second header plate and surrounds the first porous electrode and the second porous electrode.

Campbell, Patrick G.↗

Flash-X: A multiphysics simulation software instrument

Flash-X is a highly composable multiphysics software system that can be used to simulate physical phenomena in several scientific domains. It derives some of its solvers from FLASH, which was first released in 2000. Flash-X has a new framework that relies on abstractions and asynchronous communications for performance portability across a range of increasingly heterogeneous hardware platforms. Flash-X is meant primarily for solving Eulerian formulations of applications with compressible and/or incompressible reactive flows. It also has a built-in, versatile Lagrangian framework that can be used in many different ways, including implementing tracers, particle-in-cell simulations, and immersed boundary methods.

97 MATHEMATICS AND COMPUTING↗

Astronauts Plasma-Derived Exosomes Induced Aberrant EZH2-Mediated H3K27me3 Epigenetic Regulation of the Vitamin D Receptor

There are unique stressors in the spaceflight environment. Exposure to such stressors may be associated with adverse effects on astronauts' health, including increased cancer and cardiovascular disease risks. Small extracellular vesicles (sEVs, i.e., exosomes) play a vital role in intercellular communication and regulate various biological processes contributing to their role in disease pathogenesis. To assess whether spaceflight alters sEVs transcriptome profile, sEVs were isolated from the blood plasma of 3 astronauts at two different time points: 10 days before launch (L-10) and 3 days after return (R+3) from the Shuttle mission. AC16 cells (human cardiomyocyte cell line) were treated with L-10 and R+3 astronauts-derived exosomes for 24 h. Total RNA was isolated and analyzed for gene expression profiling using Affymetrix microarrays. Enrichment analysis was performed using Enrichr. Furthermore, transcription factor (TF) enrichment analysis using the ENCODE/ChEA Consensus TF database identified gene sets related to the polycomb repressive complex 2 (PRC2) and Vitamin D receptor (VDR) in AC16 cells treated with R+3 compared to cells treated with L-10 astronauts-derived exosomes. Further analysis of the histone modifications using datasets from the Roadmap Epigenomics Project confirmed enrichment in gene sets related to the H3K27me3 repressive mark. Interestingly, analysis of previously published H3K27me3–chromatin immunoprecipitation sequencing (ChIP-Seq) ENCODE datasets showed enrichment of H3K27me3 in the VDR promoter. Collectively, our results suggest that astronaut-derived sEVs may epigenetically repress the expression of the VDR in human adult cardiomyocytes by promoting the activation of the PRC2 complex and H3K27me3 levels.

59 BASIC BIOLOGICAL SCIENCES↗

Kinetics Modeling and Reactor Design Study of Glucose-to-Terpenes Cell-Free Conversion

Cell-free systems offer many advantages over traditional biological conversion by eliminating biological growth constraints. It also offers easy manipulation and finetuning of the reaction conditions for each individual enzyme. The conversion of cellulosic glucose to Limonene, a terpene, is a promising pathway for producing fuels and chemicals. Recent advances in developing cell-free systems focuses on bench scale optimization of terpene yield and to demonstrate its feasibility towards commercialization [1,2]. There is significant knowledge gap regarding reaction kinetics of these cell-free systems to further study how it will perform at larger scale. We present here, our studies on reaction kinetics and reactor design implications of cell-free glucose to Limonene conversion to facilitate the further development and commercialization of this process. We developed a novel kinetic model based on the metabolic-network structure of the cell-free system with multi-substrate reversible Michaelis-Menten rate law. To estimate kinetic parameters for this system of rate equations, we employed Bayesian optimization to perform global search with the assistance of gaussian processes to balance exploration and exploitation. The model parameters estimated showed good results compared with experimental data. The estimated parameters were used to perform sensitivity analysis. We found that Hexokinase is one of the most critical enzymes that affect the conversion of the glucose. We also observed that abundance of co-factors is also critical to the conversion of glucose to limonene. We investigated packed bed reactors with enzymes immobilized on the surface of particles to convert glucose stream into Limonene for larger scale production. The reactor design such as particle size, enzyme loading, and flow rate are found to be critical for improving yields. [1] Dudley, Q.M., Nash, C.J. and Jewett, M.C., 2019. Synthetic Biology, 4(1), p.ysz003. [2] Korman, T.P., Opgenorth, P.H. and Bowie, J.U., 2017. Nature communications, 8(1), p.15526.

09 BIOMASS FUELS↗

Decision-making Framework to Support the End-of-Life Management of High-Activity Radioactive Sources

Sealed radioactive sources are used for an extremely wide range of purposes, including as radiation sources in various nuclear facilities, universities, hospitals, biomedical and industrial applications, as well as for geological prospecting and exploration. The proper management of these sealed radioactive sources once they have reached their end-of-life is still a global challenge. Very few field-tested Mobile Hot Cells (MHC) exist in the world to support the end-of-life management of disused high-activity radioactive sources. One of the critical challenges that a source recovery team encounters on each site is to find adequate space, and access to that space to complete the staging and recapture process with a MHC; this process is tedious, uncertain, and time-consuming. Therefore, it is essential to understand the planning and management of the MHC setup and takedown. Currently, there isn't an single capable planning tool that will provide an effective medium to plan, inform, educate, and communicate knowledge about the environment where the MHC will be deployed. We present a novel approach for the planning and management of the deployment of the MHC to several different sites that relies on technology. Furthermore, this planning tool will support collaboration, promote information sharing, and foster better decision making processes, resulting in a more efficient, and reliable setup and source recovery with the MHC.

61 RADIATION PROTECTION AND DOSIMETRY↗

Cabana: A Performance Portable Library for Particle-Based Simulations

Particle-based simulations are ubiquitous throughout many fields of computational science and engineering, spanning the atomistic level with molecular dynamics (MD), to mesoscale particle-in-cell (PIC) simulations for solid mechanics, device-scale modeling with PIC methods for plasma physics, and massive N-body cosmology simulations of galaxy structures, with many other methods in between (Hockney & Eastwood, 1989). While these methods use particles to represent significantly different entities with completely different physical models, many low-level details are shared including performant algorithms for short- and/or long-range particle interactions, multi-node particle communication patterns, and other data management tasks such as particle sorting and neighbor list construction. Cabana is a performance portable library for particle-based simulations, developed as part of the Co-Design Center for Particle Applications (CoPA) within the Exascale Computing Project (ECP) (Alexander et al., 2020). The CoPA project and its full development scope, including ECP partner applications, algorithm development, and similar software libraries for quantum MD, is described in (Mniszewski et al., 2021). Cabana uses the Kokkos library for on-node parallelism (Edwards et al., 2014; Trott et al., 2022), enabling simulation on multi-core CPU and GPU architectures, and MPI for GPU-aware, multi-node communication. Cabana provides particle simulation capabilities on almost all current Kokkos backends, including serial execution, OpenMP (including OpenMP-Target for GPUs), CUDA (NVIDIA GPUs), HIP (AMD GPUs), and SYCL (Intel GPUs), providing a clear path for the coming generation of accelerator-based exascale hardware. Cabana builds on Kokkos by providing new particle data structures and particle algorithms resulting in a similar execution policy-based, node-level programming model that is intended to be used in addition to the core Kokkos library within an application. Cabana is designed as an application and physics agnostic, but particle-specific toolkit which can either be used to generate a new application, or to be used as needed in existing applications at various levels of invasiveness including through interfaces that wrap user memory in existing data structures.

97 MATHEMATICS AND COMPUTING↗

Network-level encoding of local neurotransmitters in cortical astrocytes

Abstract Astrocytes, the most abundant non-neuronal cell type in the mammalian brain, are crucial circuit components that respond to and modulate neuronal activity through calcium (Ca 2+ ) signalling 1–7 . Astrocyte Ca 2+ activity is highly heterogeneous and occurs across multiple spatiotemporal scales—from fast, subcellular activity 3,4 to slow, synchronized activity across connected astrocyte networks 8–10 —to influence many processes 5,7,11 . However, the inputs that drive astrocyte network dynamics remain unclear. Here we used ex vivo and in vivo two-photon astrocyte imaging while mimicking neuronal neurotransmitter inputs at multiple spatiotemporal scales. We find that brief, subcellular inputs of GABA and glutamate lead to widespread, long-lasting astrocyte Ca 2+ responses beyond an individual stimulated cell. Further, we find that a key subset of Ca 2+ activity—propagative activity—differentiates astrocyte network responses to these two main neurotransmitters, and may influence responses to future inputs. Together, our results demonstrate that local, transient neurotransmitter inputs are encoded by broad cortical astrocyte networks over a minutes-long time course, contributing to accumulating evidence that substantial astrocyte–neuron communication occurs across slow, network-level spatiotemporal scales 12–14 . These findings will enable future studies to investigate the link between specific astrocyte Ca 2+ activity and specific functional outputs, which could build a consistent framework for astrocytic modulation of neuronal activity.

Science & Technology - Other Topics↗

Flexible organic integrated electronics for self-powered multiplexed ocular monitoring

Smart contact lens has drawn extensive research interests due to the noninvasive real-time detection of the human body to provide biomedical information for health management. However, it has been difficult to accurately measure the physiological signals in tears, and the use of external power source has also hindered the future applications. Here, we demonstrated an organic electrochemical transistor based multiplexed sensors self-powered by the organic solar cells (OSCs). The integrated device was fabricated via simple process including solution blade-coating and thermal evaporation. OSCs were optimized to provide optimal operation voltage for the sensors that exhibit semilog-linear response to the glucose and calcium ions in tear fluids without any peripheral circuits. The sensing signals can be transmitted to the laptop wirelessly through a near filed communication unit. This integrated self-powered multiplexed sensing device will provide real-time monitoring of the biomarkers in tears, prospected to be installed on the smart contact lens for the early detection and diagnosis of diabetes.

36 MATERIALS SCIENCE↗

Optically pumped, radio-frequency atomic magnetometry with feedback stabilization

An optically pumped, atomic magnetometer incorporates a feedback system for stabilizing the magnetic bias field and suppressing unwanted background fields. The magnetic bias field is applied to a vapor cell containing host atoms of two different species, each of which resonates at a different Larmor frequency when both are subjected to the same magnetic bias field. One species provides the feedback for stabilizing the bias field, thereby creating a stabilizing magnetometer portion that nulls out the unwanted background fields. The other species provides magnetic field detection or signal reception on a radio communication frequency of interest, thereby creating a signal magnetometer portion that permits detection of the signal at the radio communication frequency.

Schwindt, Peter D. D.↗

Spatial Interactions in Hydrogenated Perovskite Nickelate Synaptic Networks

A key aspect of how the brain learns and enables decision-making processes is through synaptic interactions. Electrical transmission and communication in a network of synapses are modulated by extracellular fields generated by ionic chemical gradients. Emulating such spatial interactions in synthetic networks can be of potential use for neuromorphic learning and the hardware implementation of artificial intelligence. Here, in this work, we demonstrate that in a network of hydrogen-doped perovskite nickelate devices, electric bias across a single junction can tune the coupling strength between the neighboring cells. Electrical transport measurements and spatially resolved diffraction and nanoprobe X-ray and scanning microwave impedance spectroscopic studies suggest that graded proton distribution in the inhomogeneous medium of hydrogen-doped nickelate film enables this behavior. We further demonstrate signal integration through the coupling of various junctions.

36 MATERIALS SCIENCE↗

Asynchronous distributed-memory task-parallel algorithm for compressible flows on unstructured 3D Eulerian grids

Here, we discuss the implementation of a finite element method, used to numerically solve the Euler equations of compressible flows, using an asynchronous runtime system (RTS). The algorithm is implemented for distributed-memory machines, using stationary unstructured 3D meshes, combining data-, and task-parallelism on top of the Charm++ RTS. Charm++’s execution model is asynchronous by default, allowing arbitrary overlap of computation and communication. Task-parallelism allows scheduling parts of an algorithm independently of, or dependent on, each other. Built-in automatic load balancing enables continuous redistribution of computational load by migration of work units based on real-time CPU load measurement. The RTS also features automatic checkpointing, fault tolerance, resilience against hardware failure, and supports power-, and energy-aware computation. We demonstrate scalability up to 25 x 10 9 cells at $\mathscr{O}$10 4 compute cores and the benefits of automatic load balancing for irregular workloads. The full source code with documentation is available at https://quinoacomputing.org.

42 ENGINEERING↗

Communication—Functional Conductive Polymer Binder for Practical Si-Based Electrodes

Multifunctional conductive binders represent an emerging class of polymer materials to address inherent challenges of Si electrodes for high capacity lithium-ion batteries. Advanced binders with oriented functionalities are greatly desired to facilitate the battery chemistry. We here report stable capacity cycling of a practical composite anode comprising industrial available SiO x (>60 wt%), carbon materials and a conductive polymer binder—poly(9,9-dioctylfluorene- co -fluorenonecomethylbenzoic ester) (PFM). This multifunctional polymer functions as both an interface modifier and an electrode binder for high-performing SiO x composite electrodes. The viability of multifunctional conductive polymer binders was further validated in a practical full cell.

25 ENERGY STORAGE↗

Ultra-light antennas via charge programmed deposition additive manufacturing

Abstract The demand for lightweight antennas in 5 G/6 G communication, wearables, and aerospace applications is rapidly growing. However, standard manufacturing techniques are limited in structural complexity and easy integration of multiple material classes. Here we introduce charge programmed multi-material additive manufacturing platform, offering unparalleled flexibility in antenna design and the capability for rapid printing of intricate antenna structures that are unprecedented or necessitate a series of fabrication routes. Demonstrating its potential, we present a transmitarray antenna composed of an interconnected, multi-layered array of dielectric/conductive S-ring unit cells, reducing 94% mass of conventional antenna configurations. A fully printed circular polarized transmitarray system fed by a source and a Risley prism antenna system operating at 19 GHz both show close alignment between testing results and numerical simulations. This printing method establishes a universal platform, propelling discovery of new antenna designs and enabling data-driven design and optimizations where rapid production of antenna designs is crucial.

Science & Technology - Other Topics↗

Materials Challenges and Opportunities for Energy Generation, Conversion, Delivery, and Storage (Applied Energy Tri-Laboratory Consortium Workshop Report)

This report documents the outcomes of the Tri-Laboratory Materials Workshop that was held July 31 and August 1, 2019 to begin addressing the needs, opportunities, and challenges associated with the development, fabrication, and testing of the needed materials and components for integrated hybrid energy systems (i.e., incorporating nuclear, fossil, and renewables for electric and thermal applications). This was accomplished by assembling the research program leads and principal investigators at Idaho National Laboratory (INL), National Energy Technology Laboratory (NETL), and National Renewable Energy Laboratory (NREL), who support the research and development of new technology and system integration. The team then identified and prioritized key materials development needs. This effort was intended to enhance communications and synergy among the Tri-Lab partners. Advanced functional and structural materials are central to transformative energy technologies for energy generation, conversion, delivery, and storage. With that in mind, the workshop focused on identifying and assessing the foundational materials research needs at both the basic and applied levels. Materials challenges include the ability to withstand harsh environments, such as high temperatures and pressures, corrosion, oxidation, or irradiation while maintaining flexible mission profiles and long service lifespans. Advanced energy system material challenges and needs range from materials for the capture, upgrading/concentration, storage, and delivery of low-grade heat to materials for high temperature environments that involve liquid metals, molten salt, and very high temperature gas heat delivery and storage systems. Material improvements are needed for hybrid energy systems due to accelerated corrosion and stress-fatigue failure of materials and equipment, which results from increased frequency and amplitude of thermal, mechanical, and electrical cycling of systems components. Multifunctional materials are needed for high temperature solid-oxide fuel cells, advanced electrochemical reactors, and in-process separation. Relative to materials manufacturing, application of advanced additive and subtractive methods need to be understood to develop both thin-layer homogenous materials and materials of graded composition. Materials modeling and machine learning will be critical to accelerate the design and production of power electronics, and nuclear reactor materials and fuel, as well as to gain an understanding of beneficial materials phenomena or deleterious microstructure evolution. There is also a need for standardized models, computational structures, data reporting protocols and modeling tools across the three laboratories. This would allow consistent results, analysis, and data sharing. Combining computational capabilities between the three laboratories (e.g., hardware, software) would greatly increase computational capabilities and throughput. The workshop identified the need for laboratories to anticipate and address problems that will occur during scale-up. Laboratory work must connect with industry to ensure that research focuses on processes that are scalable and marketable. Industry input and perspective are essential to guide laboratory research to meet these requirements and deploy new technology in industrial demonstrations. Another aspect of scale-up is the integration of multiple systems since new challenges often arise at the subsystem interfaces. Establishing a scale-up manufacturing demonstration/pilot plant, potentially as an industrial user facility, would be beneficial to the laboratories and industry. That modular scale-up manufacturing demonstration/pilot plant would allow researchers to find and resolve interface problems that cannot be identified by focusing only on individual parts. Communication exchanges among the organizers, attendees, and workshop survey responses indicate that the workshop was successful in achieving its goal to identify key technology gaps and research needs. Strong positive feedback was received on the sharing of ideas, capabilities, talent, and passion to move forward on the materials-related action items.

36 MATERIALS SCIENCE↗