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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 325 records · Page 18

NASA Tech Briefs, June 2012

Topics covered include: iGlobe Interactive Visualization and Analysis of Spatial Data; Broad-Bandwidth FPGA-Based Digital Polyphase Spectrometer; Small Aircraft Data Distribution System; Earth Science Datacasting v2.0; Algorithm for Compressing Time-Series Data; Onboard Science and Applications Algorithm for Hyperspectral Data Reduction; Sampling Technique for Robust Odorant Detection Based on MIT RealNose Data; Security Data Warehouse Application; Integrated Laser Characterization, Data Acquisition, and Command and Control Test System; Radiation-Hard SpaceWire/Gigabit Ethernet-Compatible Transponder; Hardware Implementation of Lossless Adaptive Compression of Data From a Hyperspectral Imager; High-Voltage, Low-Power BNC Feedthrough Terminator; SpaceCube Mini; Dichroic Filter for Separating W-Band and Ka-Band; Active Mirror Predictive and Requirement Verification Software (AMP-ReVS); Navigation/Prop Software Suite; Personal Computer Transport Analysis Program; Pressure Ratio to Thermal Environments; Probabilistic Fatigue Damage Program (FATIG); ASCENT Program; JPL Genesis and Rapid Intensification Processes (GRIP) Portal; Data::Downloader; Fault Tolerance Middleware for a Multi-Core System; DspaceOgreTerrain 3D Terrain Visualization Tool; Trick Simulation Environment 07; Geometric Reasoning for Automated Planning; Water Detection Based on Color Variation; Single-Layer, All-Metal Patch Antenna Element with Wide Bandwidth; Scanning Laser Infrared Molecular Spectrometer (SLIMS); Next-Generation Microshutter Arrays for Large-Format Imaging and Spectroscopy; Detection of Carbon Monoxide Using Polymer-Composite Films with a Porphyrin-Functionalized Polypyrrole; Enhanced-Adhesion Multiwalled Carbon Nanotubes on Titanium Substrates for Stray Light Control; Three-Dimensional Porous Particles Composed of Curved, Two-Dimensional, Nano-Sized Layers for Li-Ion Batteries 23 Ultra-Lightweight; and Ultra-Lightweight Nanocomposite Foams and Sandwich Structures for Space Structure Applications.

Source record↗

Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?

Ni oxides and oxyhydroxides (NiO x ) have been studied for a long time as cathode materials for alkaline batteries and electrocatalysts for the oxygen evolution reaction (OER). Yet, understanding of the connection between their atomic and electronic structures and electrochemical performance or stability is still incomplete. In this work, we use first-principles density functional theory (DFT) calculations to revisit the structure, electronic properties, and OER activity of β-NiOOH, the catalytically active phase of NiO x . Following extensive DFTbased screening, we identify a hitherto overlooked structure characterized by a uniform distribution of H atoms on the NiO 2 layers. All the Ni 3+ cations in this structure exhibit an identical t g 6 e g 1 electronic configuration with an occupied 3d z2 orbital. Comparison of the calculated bond lengths with extended X-ray absorption fine structure (EXAFS) data unequivocally supports this structure relative to all other low-energy configurations. Based on this structure, we uncover and detail defect-dominated OER mechanisms on the basal β-NiOOH (001) surface, with overpotentials as low as 0.39 V. The present results should provide a valuable contribution to ongoing efforts for understanding and developing enhanced transition-metal hydroxide catalysts for the OER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dimensionality effect of conductive carbon fillers in LiNi 1/3 Mn 1/3 Co 1/3 O 2 cathode

Developing advanced electrode architectures through modifying active materials, conductive fillers, binders, and electrolytes as well as processing methods has drawn significant research interest. Due to the insufficient electrical conductivity of many active materials, adding conductive carbon fillers to composite electrodes provides the necessary electrical conductivity. The dimensionality effect among different conductive fillers has a significant impact on electrochemistry, which can be associated with morphological and chemical heterogeneities of electrodes. In this study, synchrotron X-ray mosaic nanotomography and X-ray spectroscopy nanoimaging provided direct three-dimensional (3D) visualization and quantification capabilities to investigate the dimensionality effects of Super P (SP) and single-walled carbon nanotube (SWCNT) fillers on the capacity retention of LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NMC111). The results indicate that NMC/SWCNT electrodes, with a wrapping effect from the SWCNTs, exhibited more homogeneous particle size distributions, morphological changes, and chemical states than NMC/SP electrodes, without the wrapping effect. This work developed a framework of 3D quantification methods to study the capacity fading behavior associated with morphological and chemical heterogeneities and paved the way toward designing electrodes for high rate energy storage applications.

25 ENERGY STORAGE↗

An advanced low-cost cathode composed of graphene-coated Na 2.4 Fe 1.8 (SO 4 ) 3 nanograins in a 3D graphene network for ultra-stable sodium storage

Iron-based electrodes have attracted great attention for sodium storage because of the distinct cost effectiveness. However, exploring suitable iron-based electrodes with high power density and long duration remains a big challenge. Herein, a spray-drying strategy is adopted to construct graphene-coated Na 2.4 Fe 1.8 (SO 4 ) 3 nanograins in a 3D graphene microsphere network. The unique structural and compositional advantages endow these electrodes to exhibit outstanding electrochemical properties with remarkable rate performance and long cycle life. Additionally, mechanism analyses further explain the outstanding electrochemical properties from the structural aspect.

25 ENERGY STORAGE↗

Instrument for Analysis of Greenland's Glacier Mills

A new instrument is used to study the inner workings of Greenland s glacier mills by riding the currents inside a glacier s moulin. The West Greenland Moulin Explorer instrument was deployed into a tubular shaft to autonomously record temperature, pressure, 3D acceleration, and location. It is built with a slightly positive buoyancy in order to assist in recovery. The unit is made up of several components. A 3-axis MEMS (microelectromechanical systems) accelerometer with 0.001-g resolution forms the base of the unit. A pressure transducer is added that is capable of withstanding 500 psi (=3.4 MPa), and surviving down to -40 C. An Iridium modem sends out data every 10 minutes. The location is traced by a GPS (Global Positioning System) unit. This GPS unit is also used for recovery after the mission. Power is provided by a high-capacity lithium thionyl chloride D-sized battery. The accelerometer is housed inside a cylindrical, foot-long (=30 cm) polyvinyl chloride (PVC) shell sealed at each end with acrylic. The pressure transducer is attached to one of these lids and a MEMS accelerometer to the other, recording 100 samples per second per axis.

Behar, Alberto E.↗

X-ray Micro-Computed Tomography for Structural Analysis of All-Solid-State Battery at Pouch Cell Level

Characterizing the microstructure of all-solid-state batteries (ASSBs) during fabrication and operation is vital for their advancement, particularly as scaling to pouch cell levels introduces challenges in probing large-scale microstructural evolution. This work highlights the potential of synchrotron X-ray micro-computed tomography (sXCT) as a nondestructive, rapid (<30 min), and high-resolution technique for visualizing and quantifying key microstructural features, including overhang, porosity, contact loss, active surface area, and tortuosity, in all-solid-state pouch cells. The large field of view (up to millimeters) of sXCT enables detailed analysis at an industry-relevant scale, bridging the gap between laboratory research and commercial applications. Furthermore, integrating realistic sXCT-derived 3D models into multiphysics simulations could provide insights into chemo-mechanical degradation, particularly at the edges of the pouch cells, offering a pathway for designing robust, high-performance ASSBs. This perspective establishes sXCT as an indispensable tool for advancing both the understanding and the engineering of next-generation energy storage systems.

25 ENERGY STORAGE↗

Grid Resilient, Self-Powered, Fuel Flexible, High Efficiency Heating System (Final Report)

The Grid Independent High Efficiency System (GIHES) delivers a heating system that operates free from the power grid and provides ultra-low emissions and high efficiency heating for residential and commercial buildings. The project demonstrated two weeks of continuous grid independent operation of a storage water heater equipped with a powered damper. The Thermoelectric Generator (TEG) integrated GIHES technology revolutionizes heating systems to provide grid resilient hot water production, while delivering significant value to the end user by eliminating impacts of power interruption and enhancing comfort, convenience and productivity. The system maximizes the thermal-to-electric conversion efficiency by optimizing location and orientation of the TEGs and durability while lowering system costs. The TEGs generate enough power to charge a battery and run the storage water heater unit with a powered damper uninterrupted by providing the required parasitic electrical power for start-up, shutdown and during idling. Several TEGs were analytically and experimentally evaluated based on the size, surface area and the power being generated before designing and fabricating a complete multi-TEG assembly for integration with the water heater. The GIHES technology can be extended to boilers, furnaces and tankless water heaters and integrated with heat pump to further increase the overall equipment efficiency. The technology has the potential to reduce the amount of dispatch power and peak power plant operation. An advanced burner was designed, developed and 3D printed for fuel flexible operation. The burner was designed to enable tighter integration with TEGs for potentially higher TEG output, should this be necessary. A bench-scale test rig to perform testing of a 200,000 Btu/h burner and capable of handling up to 10% H2 (by volume) was setup at GTI’s laboratory with appropriate safety and controls to ensure smooth and safe operation. Testing of the 3D burner showed < 5 ppm NOx emissions can be achieved for the entire firing range and with different levels of hydrogen blends with natural gas. The burner will enable a more integrated TEG-burner module design for improved system performance, should this be required in the future. Techno-economic analysis (TEA) of the TEG integrated with the water heaters was performed. The testing data and the power output were used to develop the TEA. The analysis for the storage unit with damper showed that the TEG integrated system costs $95. This is much lower than a one-time charge needed to wire and install dedicated power. Discussions with TEG manufacturers and OEM’s will provide more detailed information and methods to further lower these costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Redox Mechanism in Na-Ion Battery Cathodes Probed by Advanced Soft X-Ray Spectroscopy

A Na-ion battery (NIB) device is a promising solution for mid-/large-scale energy storage, with the advantages of material abundance, low cost, and environmental benignity. To improve the NIB capacity and retainability, extensive efforts have been put into the developments of NIB electrode materials. The redox activities of the transition metal (TM)-based NIB electrodes are critical in defining the capacity and stability. Here, we provide a comprehensive review on recent studies of the redox mechanisms of NIB cathodes through synchrotron-based soft X-ray absorption spectroscopy (sXAS) and mapping of resonant inelastic X-ray scattering (mRIXS). These soft X-ray techniques are direct and effective tools to fingerprint the TM-3d and O-p states with both bulk and surface sensitivities. Particularly, 3d TM L-edge sXAS has been used to quantify the cationic redox contributions to the electrochemical property; however, it suffers from lineshape distortion for the bulk sensitive signals in some scenarios. With the new dimension of information along the emitted photon energy, mRIXS can address the distortion issue of in TM-L sXAS; moreover, it also breaks through the limitation of conventional sXAS on detecting unconventional TM and O states, e.g., Mn(I) in NIB anode and oxidized oxygen in NIB cathodes. The mRIXS fingerprint of the oxidized oxygen state enables the detection of the reversibility of the oxygen redox reaction through the evolution of feature intensity upon electrochemical cycling and thus clarifies various misunderstandings in our conventional wisdom. We conclude that, with mRIXS established as a powerful tool, its potential and power will continue to be explored for characterizing novel chemical states in NIB electrodes.

25 ENERGY STORAGE↗

Mass spectral molecular mapping shows benefits of thermal evaporation in prelithiated silicon-based electrodes

Silicon based composites have become increasingly popular as potential anodes for lithium-ion batteries due to their large storage capacity and potential ability to generate batteries with energy densities greater than 350 Wh kg −1 . These anodes often see reduced initial columbic efficiency (ICE) due to disruptive volume expansionup to 300% and continuous solid electrolyte interphase (SEI) layer formation. Prelithiation, where an excess reservoir of Li is added to the electrode to compensate for irreversible SEI formation losses during their sample preparation, has proven to solve the issue of immediate capacity loss. Thermal evaporation is a prelithiation technique with limited studies on its effectiveness. In this study, time-of-flight secondary ion mass spectrometry (ToF-SIMS) is used to highlight the benefits of prelithiation via thermal evaporation. ToF-SIMS provides chemical mapping and spatial information in 2D and 3D visualizing the deposition of lithium, identifying Li x Si y alloy and Li x Si y O z silicate formation, and the distribution of lithium passivation into the electrodes. Passivation under different atmospheric conditions, such as inert Argon (Ar) and Ar/ carbon dioxide (CO 2 ), highlights the impact of the environment on the passivation effectiveness and formation of Li x Si y alloy and Li x Si y O z silicate. The ToF-SIMS molecular imaging and depth profiling results indicate that prelithiation via thermal evaporation effectively distributes lithium throughout the depth profile thickness of several hundred nanometers. It induces a greater degree of Li x Si y O z silicate formation over Li x Si y alloy. Our ToF-SIMS characterization results show the effectiveness of thermal evaporation in producing a more stable electrode and an electrode with an effective lithium reserve that can preserve its capacity.

Parker, Gabriel D. [Oak Ridge National Laboratory ↗

Atomic resolution coherent x-ray imaging with physics-based phase retrieval

Coherent x-ray imaging and scattering from accelerator based sources such as synchrotrons continue to impact biology, medicine, technology, and materials science. Many synchrotrons around the world are currently undergoing major upgrades to increase their available coherent x-ray flux by approximately two orders of magnitude. The improvement of synchrotrons may enable imaging of materials in operando at the atomic scale which may revolutionize battery and catalysis technologies. Current algorithms used for phase retrieval in coherent x-ray imaging are based on the projection onto sets method. These traditional iterative phase retrieval methods will become more computationally expensive as they push towards atomic resolution and may struggle to converge. Additionally, these methods do not incorporate physical information that may additionally constrain the solution. In this work, we present an algorithm which incorporates molecular dynamics into Bragg coherent diffraction imaging (BCDI). This algorithm, which we call PRAMMol (Phase Retrieval with Atomic Modeling and Molecular Dynamics) combines statistical techniques with molecular dynamics to solve the phase retrieval problem. We present several examples where our algorithm is applied to simulated coherent diffraction from 3D crystals and show convergence to the correct solution at the atomic scale.

47 OTHER INSTRUMENTATION↗

Spectroscopic Characterization of Mn 1+ Low Oxidation State in Prussian Blue-Based Battery Anodes

Stabilization of ions in exotic oxidation states is beneficial for the development of new materials for green energy technologies. Exotic Mn 1+ was proposed to play a role in the function of sodium-based Prussian blue analogues (PBA) batteries, a highly sought-out technology for industrial energy storage. Here, we report the detailed electronic structure characterization of uncharged and charged sodium-based manganese hexacyanomanganate anodes via Mn K-edge X-ray absorption spectroscopy (XAS), Kβ nonresonant X-ray emission (XES), and resonant inelastic X-ray scattering (RIXS). The latter allowed us to obtain site-selective XANES information about two distinct Mn centers. The obtained spectroscopic data represent the first electronic structure characterization of low-spin Mn 1+ using hard X-ray RIXS and XES and allowed us to confirm its role in anode reduction. In conclusion, our experimental approach can be expanded to analysis of analogues with other 3d transition metals broadening the application of exotic ionic states in materials engineering.

36 MATERIALS SCIENCE↗

Operating High-Energy Lithium-Metal Pouch Cells with Reduced Stack Pressure Through a Rational Lithium-Host Design

Transitioning from a liquid electrolyte to an inorganic solid electrolyte offers a potential pathway to enable highly reversible lithium-metal anodes. However, the solid-electrolyte-protected lithium-metal anode suffers from poor interfacial ionic contacts and requires an impractically high stack pressure (>1.0 MPa) to maintain the interfacial contacts. It is demonstrated here that combining a hollow silver/carbon fiber scaffold and an inorganic/organic composite electrolyte enables a highly reversible lithium-metal anode. Since the high surface area of the electrode provides intimate contact and the hollow structure of the electrode relieves the lithium plating-induced stress, the electrode/electrolyte interface remains stable during cycling even under mild stack pressure. This unconventional structural design is validated in practical pouch cells assembled with the 3D lithium host containing a onefold excess of lithium and a high-nickel cathode. At a mild stack pressure of 320 kPa, the pouch cell displays 83% capacity retention for 200 cycles. This work illustrates that combining a hollow electrode architecture and a robust solid electrolyte offers a practical pathway toward rechargeable lithium-metal anodes.

36 MATERIALS SCIENCE↗

Electrochemical-Mechanical Coupling Strongly Affects the Performance of Nanopore, Thin-Film, and Solid-State Batteries

Here, the present study focuses on the electrochemical-mechanical (ECM) coupling effects of a thin-film, solid-state battery with only stiff, ceramic materials, in contrast to prior investigations that focus on individual active material particles or aggregations of particles. We model the impacts of ECM couplings including stress-transport and stress-equilibrium potential on the full-cell performance and potential mechanical failure modes of a thin-film battery conformally deposited in a nanopore scaffold, which is an experimentally achievable device. Model results indicate electrode volume changes due to lithium insertion or removal, along with mechanical boundary conditions, result in stress gradients that alter the lithium-ion flux, reduce lithium concentration gradients, and improve cell rate capability. However, the high stress levels in the cell can also lead to mechanics-related failure such as the separation of cell layers. For the parameter set in this work, stress-transport coupling has a much greater influence on rate capability than stress-potential coupling. Optimization of thin-film batteries to harness the benefits of ECM coupling effects requires leveraging geometric design and material selection. The current work underscores the need for further theoretical and experimental investigation into ECM coupling effects in thin-film batteries to enhance their understanding and design optimization.

25 ENERGY STORAGE↗

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗

Topology optimization for the full-cell design of porous electrodes in electrochemical energy storage devices

In this paper, we introduce a density-based topology optimization framework to design porous electrodes for maximum energy storage. We simulate the full cell with a model that incorporates electronic potential, ionic potential, and electrolyte concentration. The system consists of three materials, namely pure liquid electrolyte and the porous solids of the anode and cathode, for which we determine the optimal placement. We use separate electronic potentials to model each electrode, which allows interdigitated designs. As a result, a penalization is required to ensure that the anode and cathode do not touch, i.e., causing a short circuit. We compare multiple 2D designs generated for different fixed conditions, e.g. material properties. A 3D design with complex channel and interlocked structure is also created. All optimized designs are far superior to the traditional monolithic electrode design with respect to energy storage metrics. We observe up to a 750% increase in energy storage for cases with slow effective ionic diffusion within the porous electrode.

25 ENERGY STORAGE↗

An Atomic View of Cation Diffusion Pathways from Single‐Crystal Topochemical Transformations

Abstract The diffusion pathways of Li‐ions as they traverse cathode structures in the course of insertion reactions underpin many questions fundamental to the functionality of Li‐ion batteries. Much current knowledge derives from computational models or the imaging of lithiation behavior at larger length scales; however, it remains difficult to experimentally image Li‐ion diffusion at the atomistic level. Here, by using topochemical Li‐ion insertion and extraction to induce single‐crystal‐to‐single‐crystal transformations in a tunnel‐structured V 2 O 5 polymorph, coupled with operando powder X‐ray diffraction, we leverage single‐crystal X‐ray diffraction to identify the sequence of lattice interstitial sites preferred by Li‐ions to high depths of discharge, and use electron density maps to create a snapshot of ion diffusion in a metastable phase. Our methods enable the atomistic imaging of Li‐ions in this cathode material in kinetic states and provide an experimentally validated angstrom‐level 3D picture of atomic pathways thus far only conjectured through DFT calculations.

Handy, Joseph V.↗