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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Bulk Oxygen Stabilization via Electrode–Electrolyte Interphase Tailored Surface Activities of Li–Rich Cathodes

The O3-type Li-rich layered oxides (LLOs) are approaching industrial applications as high-energy cathode materials for Li-ion batteries (LIBs), however, they suffer from rapid performance decay associated with oxygen activities. The interplay between surface and bulk transformations in LLOs, especially the electrochemical behaviors of oxygen anions, remains elusive. Here, by regulating the surface of an O3-type LLO (Li 1.13 Mn 0.517 Ni 0.256 Co 0.097 O 2 ) using an all-fluorinated electrolyte, an enhanced capacity retention from 57.4% to 85.3% and a suppressed voltage decay from 1.34 mV cycle –1 to 0.58 mV cycle –1 within 300 cycles are realized. The performance enhancement is attributed to the thin, uniform, robust, and compact F-rich cathode-electrolyte interphase (CEI), which suppresses various types of oxygen-related surface degradation and, more importantly, stabilizes the bulk oxygen reactions. Finally, through the combined experimental and theoretical studies, this work directly reveals the intriguing association between the surface and bulk oxygen activities and demonstrates that optimizing the interphase is an effective approach for improving the stability of high-energy battery cathodes involving oxygen redox reactions.

25 ENERGY STORAGE↗
NASA NTRS1996

Modification and Validation of Conceptual Design Aerodynamic Prediction Method HASC95 With VTXCHN

A conceptual/preliminary design level subsonic aerodynamic prediction code HASC (High Angle of Attack Stability and Control) has been improved in several areas, validated, and documented. The improved code includes improved methodologies for increased accuracy and robustness, and simplified input/output files. An engineering method called VTXCHN (Vortex Chine) for predicting nose vortex shedding from circular and non-circular forebodies with sharp chine edges has been improved and integrated into the HASC code. This report contains a summary of modifications, description of the code, user's guide, and validation of HASC. Appendices include discussion of a new HASC utility code, listings of sample input and output files, and a discussion of the application of HASC to buffet analysis.

Aerodynamics prediction↗
DOE OSTI2023

Cycling of block copolymer composites with lithium-conducting ceramic nanoparticles

Solid polymer and perovskite-type ceramic electrolytes have both shown promise in advancing solid-state lithium metal batteries. Despite their favorable interfacial stability against lithium metal, polymer electrolytes face issues due to their low ionic conductivity and poor mechanical strength. Highly conductive and mechanically robust ceramics, on the other hand, cannot physically remain in contact with redox-active particles that expand and contract during charge-discharge cycles unless excessive pressures are used. To overcome the disadvantages of each material, polymer-ceramic composites can be formed; however, depletion interactions will always lead to aggregation of the ceramic particles if a homopolymer above its melting temperature is used. In this study, we incorporate Li 0.33 La 0.56 TiO 3 (LLTO) nanoparticles into a block copolymer, polystyrene- b -poly (ethylene oxide) (SEO), to develop a polymer-composite electrolyte (SEO-LLTO). TEMs of the same nanoparticles in polyethylene oxide (PEO) show highly aggregated particles whereas a significant fraction of the nanoparticles are dispersed within the PEO-rich lamellae of the SEO-LLTO electrolyte. We use synchrotron hard x-ray microtomography to study the cell failure and interfacial stability of SEO-LLTO in cycled lithium-lithium symmetric cells. Three-dimensional tomograms reveal the formation of large globular lithium structures in the vicinity of the LLTO aggregates. Encasing the SEO-LLTO between layers of SEO to form a “sandwich” electrolyte, we prevent direct contact of LLTO with lithium metal, which allows for the passage of seven-fold higher current densities without signatures of lithium deposition around LLTO. We posit that eliminating particle clustering and direct contact of LLTO and lithium metal through dry processing techniques is crucial to enabling composite electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Intermetallic PtCo Catalysts with Enhanced Performance and Stability [Slides]

Pt-based catalysts need systematic modifications to be adapted to different applications (LDV or HDV). L1 0 -CoPt particles have been demonstrated as highly active and durable cathode materials for fuel cells. Colloidal synthesis can generate catalysts with highly uniform particles size but the removal of surfactants is challenging. Acid leaching warrants a Pt shell with certain thickness, which mitigates the Co leaching. Controlling the size of L1 0 -CoPt particles is a robust method to alter their catalytic behaviours and tailor the function of catalysts. Modifying the carbon features (e.g. porosity and graphitization) is an effective method to regulate the performance and stability of catalysts to adapt the catalysts to different applications.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS2008

Evaluation of Ares-I Control System Robustness to Uncertain Aerodynamics and Flex Dynamics

This paper discusses the application of robust control theory to evaluate robustness of the Ares-I control systems. Three techniques for estimating upper and lower bounds of uncertain parameters which yield stable closed-loop response are used here: (1) Monte Carlo analysis, (2) mu analysis, and (3) characteristic frequency response analysis. All three methods are used to evaluate stability envelopes of the Ares-I control systems with uncertain aerodynamics and flex dynamics. The results show that characteristic frequency response analysis is the most effective of these methods for assessing robustness.

Jang, Jiann-Woei↗
DOE OSTI2026

Performance Evaluation of a Microgrid System with Grid-Forming and Grid-Following Inverters with Diesel Generators: Insights From Hardware Experiments

This paper presents a comprehensive performance evaluation of a microgrid system integrating grid-forming (GFM) inverters, grid-following (GFL) inverters, and a diesel generator, focusing on their interactions and behavior under various dynamic events. The study is conducted using a pure hardware setup comprising two GFM inverters, one GFL inverter, a diesel generator, load banks, a point of common coupling (PCC), and an emulated main grid. The evaluation specifically examines dynamic scenarios, including voltage jumps, phase jumps, rate of change of frequency (ROCOF), synchronization, and islanding operations, which pose critical challenges to system stability. Among all the tests conducted, the overloading and phase jump tests proved to be the most challenging. The capacity of the DC side is crucial for withstanding overloading and grid disturbance tests; otherwise, GFM inverters frequently trip due to DC undervoltage. Throughout all grid disturbance tests, the diesel generator consistently stands out as the most robust and reliable GFM unit in the system. Overall, insights from these hardware experiments shed light on the response characteristics of different generation types during grid disturbances and identify potential stability concerns in such hybrid microgrid systems.

14 SOLAR ENERGY↗
DOE OSTI2021

Tailoring the Local Environment of Platinum in Single-Atom Pt 1 /CeO 2 Catalysts for Robust Low-Temperature CO Oxidation

A single-atom Pt 1 /CeO 2 catalyst formed by atom trapping (AT, 800 degrees C in air) shows excellent thermal stability but is inactive for CO oxidation at low temperatures owing to over-stabilization of Pt 2+ in a highly symmetric square-planar Pt 1 O 4 coordination environment. Reductive activation to form Pt nanoparticles (NPs) results in enhanced activity; however, the NPs are easily oxidized, leading to drastic activity loss. In this work, we show that tailoring the local environment of isolated Pt 2+ by thermal-shock (TS) synthesis leads to a highly active and thermally stable Pt 1 /CeO 2 catalyst. Ultrafast shockwaves (>1200 degrees C) in an inert atmosphere induced surface reconstruction of CeO 2 to generate Pt single atoms in an asymmetric Pt 1 O 4 configuration. Owing to this unique coordination, Pt 1 δ+ in a partially reduced state dynamically evolves during CO oxidation, resulting in exceptional low-temperature performance. CO oxidation reactivity on the Pt 1 /CeO 2 _TS catalyst was retained under oxidizing conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Boosting the cycling stability of Ni-rich layered oxide cathode by dry coating of ultrastable Li 3 V 2 (PO 4 ) 3 nanoparticles

Nickel (Ni)-rich layered oxides such as LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) represent one of the most promising candidates for next-generation high-energy lithium-ion batteries (LIBs). However, the pristine Ni-rich cathode materials usually suffer from poor structural stability during cycling. In this work, we demonstrate a simple but effective approach to improve the cycling stability of the NCM622 cathode by dry coating of ultrastable Li 3 V 2 (PO 4 ) 3 -carbon (LVP-C) nanoparticles, which leads to a robust composite cathode (NCM622/LVP-C) without sacrificing the specific energy density compared with pristine NCM622. The optimal NCM622/LVP-C composite presents a high specific capacity of 162 mA h g -1 at 0.5 C and excellent cycling performance with 85.0% capacity retention after 200 cycles at 2 C, higher than that of the pristine NCM622 (67.6%). Systematic characterization confirms that the LVP-C protective layer can effectively reduce the side reactions, restrict the cation mixing of NCM622 and improve its structural stability. Moreover, the NCM622/LVP-C||graphite full cells also show a commercial-level capacity of 3.2 mA h cm -2 and much improved cycling stability compared with NCM622/LVP-C||graphite full cells, indicating the great promise for low-cost, high-capacity and long-life LIBs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rare ribosomal RNA sequences from archaea stabilize the bacterial ribosome

The ribosome serves as the universally conserved translator of the genetic code into proteins and supports life across diverse temperatures ranging from below freezing to above 120°C. Ribosomes are capable of functioning across this wide range of temperatures even though the catalytic site for peptide bond formation, the peptidyl transferase center, is nearly universally conserved. Here we find that Thermoproteota, a phylum of thermophilic Archaea, substitute cytidine for uridine at large subunit rRNA positions 2554 and 2555 (Escherichia coli numbering) in the A loop, immediately adjacent to the binding site for the 3'-end of A-site tRNA. We show by cryo-EM that E. coli ribosomes with uridine to cytidine mutations at these positions retain the proper fold and post-transcriptional modification of the A loop. Additionally, these mutations do not affect cellular growth, protect the large ribosomal subunit from thermal denaturation, and increase the mutational robustness of nucleotides in the peptidyl transferase center. This work identifies sequence variation across archaeal ribosomes in the peptidyl transferase center that likely confers stabilization of the ribosome at high temperatures and develops a stable mutant bacterial ribosome that can act as a scaffold for future ribosome engineering efforts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Beyond Strain: Controlling the Surface Chemistry of CsPbI 3 Nanocrystal Films for Improved Stability against Ambient Reactive Oxygen Species

Colloidal halide perovskite nanocrystals (NCs) have the possibility of easy scale-up due to their batch synthesis and have demonstrated excellent optoelectronic properties. In particular, perovskite NCs have remarkably high photoluminescence quantum yields in solution and as thin films and impressive open circuit voltages in photovoltaic devices. Despite these promising results, little work has been done to understand the stability of CsPbI 3 NCs for optoelectronic device applications. It has been previously shown that the ligands impart tensile surface strain, which stabilizes the black three-dimensional (3D) perovskite phase against phase degradation, making CsPbI 3 NCs some of the most structurally robust inorganic halide perovskites to date. However, understanding exactly how CsPbI 3 NCs degrade under ambient conditions is critical. Additionally, we demonstrate that the degradation mechanism of NCs is unique from, and 2 orders of magnitude slower than, their polycrystalline thin-film counterparts. Under specific conditions, CsPbI 3 NC films show a compositional instability instead of the phase instability seen in large grain CsPbI 3 . This is mediated through reactions with superoxide and other reactive oxygen species, which are initiated from surface defect states, O 2 and light. We then use this mechanistic insight to identify multiple strategies to prolong the lifetimes of CsPbI 3 NC films, by going beyond surface strain to mitigate key surface chemistries. We demonstrate that (1) minimizing the number of surface defects (2) using an alkylammonium bromide ligand surface treatment and (3) encapsulation with an oxygen scavenging layer all increase NC film lifetimes by inhibiting various steps in the photo-oxidation degradation reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Virtual Cable Impedance based Load Sharing in a Microgrid for Parallel Connected Grid Forming Converters

This paper presents a novel approach to power sharing between direct connected grid-forming converters, utilizing virtual cable impedance and droop-based outer loop control. To enhance stability, resistive droop is implemented, while virtual cable impedance with non-zero resistive and inductive components ensures improved power sharing. The inner loop controller employs a Lyapunov energy function to achieve superior dynamic performance. The proposed control architecture is validated through comprehensive modeling and real-time processor-in-the-loop simulations, demonstrating its robustness and efficiency under various operating conditions. The results highlight the potential of this control strategy to improve the reliability and efficiency of renewable energy systems. Additionally, a comparative analysis with traditional methods underscores the advantages of the proposed approach in terms of stability and performance. The proposed control architecture offers a scalable and flexible solution for grid-forming converters, enabling seamless integration of renewable energy sources. Its robustness and adaptability make it an attractive solution for real-world applications. Furthermore, the approach can be extended to other power electronic systems, enhancing overall system performance and efficiency. By providing a reliable and efficient control strategy, this paper contributes to the advancement of renewable energy systems and their adoption in the energy sector. The proposed control strategy has far-reaching implications for the widespread adoption of renewable energy sources, enabling a more sustainable and efficient energy future. The overall system is modeled in MATLAB/Simulink and PLECS software domain.

grid forming converters (GFM)↗
DOE OSTI2023

A subdivision-stabilized B-spline mixed material point method

Subjected to external loadings, polymeric materials, e.g., biological tissues, hydrogels, and elastomers, may undergo extreme, nearly incompressible, (self-)contact deformations. For numerical modeling employing mesh-based techniques such as the finite element method (FEM), these deformations pose significant challenges due to large distortions in the deformed geometry, accuracy issues stemming from volumetric locking effects, and increased computational cost from complex contact searches. As an alternative to mesh-based methods, the material point method (MPM), a continuum-based particle technique, is gaining attention for its ability to handle extreme distortions and capture no-slip contact without added cost. For nearly incompressible material behaviors, while mixed formulations can address locking effects by treating displacements and pressure as independent fields, they can suffer from numerical instabilities close to the incompressibility limit due to the violation of the inf-sup condition, leading to inaccurate nodal pressure solutions. Here we propose an efficient and stable mixed B-spline material point method with highest achievable regularity for quasi-compressible polymeric materials. Using the two-scale relation of B-splines, we introduce a subdivision-stabilization for the two-field mixed MPM and obtain numerically stable, oscillation-free nodal solutions with equal-order interpolations with optimal regularity. Building on the Eulerian-Lagrangian nature of MPM, a previously-converged solution framework is adopted to mitigate issues related to cell-crossing and numerical fracture artifact present in standard MPM. We assess the stability and accuracy of the developed mixed MPM at large deformations for soft materials through the benchmark Cook’s membrane problem. Additionally, we test the robustness of the proposed MPM by modeling several examples, including the compression and indentation of a circular block into a quasi-compressible substrate and the twisting deformation of a rectangular block. The findings demonstrate the MPM’s capabilities for modeling practical soft material applications.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Robust state estimation with imperfect sensors

Robustness properties of extended Kalman-type filters are investigated for time-varying plants when nonlinearities or linear dynamics are present at the plant input and output. Sufficient conditions for the asymptotic stability (of the state estimation error) in the absence of noise are obtained when the nonlinearities or the linear dynamics are perfectly known. When the nonlinearities are known only within bands of uncertainty, the estimation error is shown to be ultimately bounded under certain conditions. The results obtained highlight the robustness properties of such filters, which are similar to, but not exact duals of those of linear quadratic regulators.

Joshi, S. M.↗
DOE OSTI2025

Pushing the Limits: Maximizing Energy Density in Silicon Sulfide Solid‐State Batteries

Here, for the first time, we demonstrate a silicon solid-state battery (SSB) architecture that achieves >400 Wh kg −1 , approaching the theoretical limit for silicon-based SSBs. This configuration features a 99.9 wt% micro-Si, a thin sulfide solid electrolyte (SSE), and a high-loading NMC811. Key to these results is strategically selecting and evaluating the processing techniques, whether wet or dry, for the negative electrode, positive electrode and thin sheet-type SSE. Excessive lithium incorporation into the silicon host, beyond the Li 3.75 +Si phase to form a LiSi composite, is essential to match the high capacity of the positive electrode. This SSB achieves over 1000 cycles for a 2 mAh cm −2 with ≈80% capacity retention and 94% capacity retention for 3 mAh cm −2 over 500 cycles at 25 °C. Post analysis identifies the primary capacity decay mechanisms as oxidation at the NMC/SSE interface and structural disruptions within NMC. Meanwhile, the Si electrode maintains a robust solid-electrolyte interphase layer, minimizing capacity decay. This study highlights the necessity for improved NMC coatings, lattice oxygen stabilization, and a durable positive electrode-electrolyte interface to improve the long-term stability of SSBs. Strategies leading to a single-layer pouch cell SSB exceeding 400 Wh kg −1 are developed.

25 ENERGY STORAGE↗
DOE OSTI2020

Fast-Charging and Ultrahigh-Capacity Lithium Metal Anode Enabled by Surface Alloying

Li metal anodes are going through a great revival but they still encounter grand challenges. One often neglected issue is that most reported Li metal anodes are only cyclable under relatively low current density (<5 mA cm -2 ) and small areal capacity (<5 mAh cm -2 ), which essentially limits their high-power applications and results in ineffective Li utilization (<1%). Herein, it is reported that surface alloyed Li metal anodes can enable reversible cycling with ultrafast rate and ultralarge areal capacity. Low-cost Si wafers are used and are chemically etched down to 20-30 mu m membranes. Simply laminating a Si membrane onto Li foil results in the formation of LixSi alloy film fused onto Li metal with mechanical robustness and high Li-ion conductivity. Symmetric cell measurements show that the surface alloyed Li anode has excellent cycling stability, even under high current density up to 25 mA cm -2 and unprecedented areal capacity up to 100 mAh cm -2 . Furthermore, the surface alloyed Li anode is paired with amorphous MoS 3 cathode and achieves remarkable full-cell performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ordered CoPt oxygen reduction catalyst with high performance and durability

A high-performance and durable polymer electrolyte membrane fuel cell cathode catalyst composed of an ordered L10–CoPt core and a thin Pt shell was designed and prepared. Under practical fuel cell membrane electrode assembly testing conditions, the cathode catalyst showed an outstanding initial mass activity of 0.6 A/mgPt, which satisfies the U.S. Department of Energy performance target while also meeting the durability target of less than 40% loss in mass activity after 30,000 accelerated stress test voltage cycles. The high structural stability of the L10–CoPt@Pt-shell catalyst was confirmed by postmortem materials characterization, and the origin of this robustness was revealed by density functional theory calculations, where the barriers for diffusion of Co atoms were observed to be significantly increased in the ordered intermetallic core.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Comparing numerical accuracy and stability for different horizontal discretizations in MPAS-Ocean

This manuscript investigates the effectiveness of two possible horizontal discretizations for the global ocean model MPAS-Ocean, both applied to Spherical Centroidal Voronoi Tessellations (SCVTs). The first discretization is TRiSK, a C-grid, finite-volume method, that possesses many desirable mimetic properties, but has a low order accuracy. The second discretization was introduced for the first time by Peixoto (2016), and consists of modifications to the TRiSK scheme designed to achieve at least first-order accuracy in the L ∞ norm, with the loss of some of the mimetic properties. Tests on shallow-water and primitive-equation models show that the scheme due to Peixoto is indeed more accurate, but presents stability issues with respect to TRiSK. Here, TRiSK is indeed found to be often more stable in time and more robust with respect to errors in the geometric properties of the grid.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Methane Generation from CO 2 with a Molecular Rhenium Catalyst

The atomic-level tunability of molecular structures is a compelling reason to develop homogeneous catalysts for challenging reactions such as the electrochemical reduction of carbon dioxide to valuable C 1 –C n products. Of particular interest is methane, the largest component of natural gas. Herein, we report a series of three isomeric rhenium tricarbonyl complexes coordinated by the asymmetric diimine ligands 2-(isoquinolin-1-yl)-4,5-dihydrooxazole ( quin-1-oxa ), 2-(quinolin-2-yl)-4,5-dihydrooxazole ( quin-2-oxa ), and 2-(isoquinolin-3-yl)-4,5-dihydrooxazole ( quin-3-oxa ) that catalyze the reduction of CO 2 to carbon monoxide and methane, albeit the latter with a low efficiency. To our knowledge, these complexes are the first examples of rhenium(I) catalysts capable of converting carbon dioxide into methane. Re(quin-1-oxa)(CO) 3 Cl ( 1 ), Re(quin-2-oxa)(CO) 3 Cl ( 2 ), and Re(quin-3-oxa)(CO) 3 Cl ( 3 ) were characterized and studied using a variety of electrochemical and spectroscopic techniques. In bulk electrolysis experiments, the three complexes reduce CO 2 to CO and CH 4 . When the controlled-potential electrolysis experiments are performed at -2.5 V (vs Fc +/0 ) and in the presence of the Brønsted acid 2,2,2-trifluoroethanol, methane is produced with turnover numbers that range from 1.3 to 1.8. Isotope labeling experiments using 13 CO 2 atmosphere produce 13 CH 4 ( m / z = 17) confirming that methane originates from CO 2 reduction. Theoretical calculations are performed to investigate the mechanistic aspects of the 8e – /8H + reduction of CO 2 to CH 4 . Overall, a ligand-assisted pathway is proposed to be an efficient pathway in the formation of CH 4 . Delocalization of the electron density on the (iso)quinoline moiety upon reduction stabilizes the key carbonyl intermediate leading to additional reactivity of this ligand. These results should aid the development of more robust catalytic systems that produce CH 4 from CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗