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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Fast‐Charging and High‐Temperature All‐Organic Rechargeable Potassium Battery

Abstract Developing fast‐charging, high‐temperature, and sustainable batteries is critical for the large‐scale deployment of energy storage devices in electric vehicles, grid‐scale electrical energy storage, and high temperature regions. Here, a transition metal‐free all‐organic rechargeable potassium battery (RPB) based on abundant and sustainable organic electrode materials (OEMs) and potassium resources for fast‐charging and high‐temperature applications is demonstrated. N‐doped graphene and a 2.8 m potassium hexafluorophosphate (KPF 6 ) in diethylene glycol dimethyl ether (DEGDME) electrolyte are employed to mitigate the dissolution of OEMs, enhance the electrode conductivity, accommodate large volume change, and form stable solid electrolyte interphase in the all‐organic RPB. At room temperature, the RPB delivers a high specific capacity of 188.1 mAh g −1 at 50 mA g −1 and superior cycle life of 6000 and 50000 cycles at 1 and 5 A g −1 , respectively, demonstrating an ultra‐stable and fast‐charging all‐organic battery. The impressive performance at room temperature is extended to high temperatures, where the high‐mass‐loading (6.5 mg cm −2 ) all‐organic RPB exhibits high‐rate capability up to 2 A g −1 and a long lifetime of 500 cycles at 70–100 °C, demonstrating a superb fast‐charging and high‐temperature battery. The cell configuration demonstrated in this work shows great promise for practical applications of sustainable batteries at extreme conditions.

25 ENERGY STORAGE↗
DOE OSTI2025

Wastepaper-derived porous carbon supported cobalt nanocomposites for all solid-state flexible supercapacitor

The conversion of wastepaper into high-value carbon materials has gained significant attention as a sustainable strategy for energy storage applications. Owing to its low cost, abundance, and intrinsic fibrous structure, wastepaper serves as an attractive precursor for carbon-based electrode materials. In this work, a novel electrode comprising cobalt nanoparticles and Co 3 O 4 embedded in wastepaper-derived porous carbon has been developed for use in a flexible all-solid-state asymmetric supercapacitor. The integration of cobalt nanoparticles and Co 3 O 4 introduces redox-active centres, which enhance the electrochemical activity of the carbon framework. Mean while, the interconnected porous and conductive carbon network enables rapid ion diffusion and efficient electron transport, synergistically improving the overall electrochemical performance. It delivers a high specific capacitance of 61.5 Fg -1 , a power density of 5143 W kg -1 , and an energy density of 9 Wh kg -1 at a current density of 2.5 A/ g. Furthermore, the device maintains outstanding cycling stability, retaining 82.86 % of its capacitance after 10,000 charge-discharge cycles. Practical applicability is confirmed through its ability to power

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Full Concentration Gradient-Tailored Li-Rich Layered Oxides for High-Energy Lithium-Ion Batteries

Lithium-rich layered oxides (LLOs) are prospective cathode materials for next-generation lithium-ion batteries (LIBs), but severe voltage decay and energy attenuation with cycling still hinder their practical applications. In this study, a series of full concentration gradient-tailored agglomerated-sphere LLOs are designed with linearly decreasing Mn and linearly increasing Ni and Co from the particle center to the surface. The gradient-tailored LLOs exhibit noticeably reduced voltage decay, enhanced rate performance, improved cycle stability, and thermal stability. Without any material modifications or electrolyte optimizations, the gradient-tailored LLO with medium-slope shows the best electrochemical performance, with a very low average voltage decay of 0.8 mV per cycle as well as a capacity retention of 88.4% within 200 cycles at 200 mA g –1 . These excellent findings are due to spinel structure suppression, electrochemical stress optimization, and Jahn-Teller effect inhibition. Further investigation shows that the gradient-tailored LLO reduces the thermal release percentage by as much as about 41% when the battery is charged to 4.4 V. This study provides an effective method to suppress the voltage decay of LLOs for further practical utilization in LIBs and also puts forward a bulk-structure design strategy to prepare better electrode materials for different rechargeable batteries.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Peregrine 100-km Sounding Rocket Project

The Peregrine Sounding Rocket Program is a joint basic research program of NASA Ames Research Center, NASA Wallops, Stanford University, and the Space Propulsion Group, Inc. (SPG). The goal is to determine the applicability of this technology to a small launch system. The approach is to design, build, and fly a stable, efficient liquefying fuel hybrid rocket vehicle to an altitude of 100 km. The program was kicked off in October of 2006 and has seen considerable progress in the subsequent 18 months. This research group began studying liquifying hybrid rocket fuel technology more than a decade ago. The overall goal of the research was to gain a better understanding of the fundamental physics of the liquid layer entrainment process responsible for the large increase in regression rate observed in these fuels, and to demonstrate the effect of increased regression rate on hybrid rocket motor performance. At the time of this reporting, more than 400 motor tests were conducted with a variety of oxidizers (N2O, GOx, LOx) at ever increasing scales with thrust levels from 5 to over 15,000 pounds (22 N to over 66 kN) in order to move this technology from the laboratory to practical applications. The Peregrine program is the natural next step in this development. A number of small sounding rockets with diameters of 3, 4, and 6 in. (7.6, 10.2, and 15.2 cm) have been flown, but Peregrine at a diameter of 15 in. (38.1 cm) and 14,000-lb (62.3-kN) thrust is by far the largest system ever attempted and will be one of the largest hybrids ever flown. Successful Peregrine flights will set the stage for a wide range of applications of this technology.

Zilliac, Gregory↗
DOE OSTI2025

Biomass-Derived Carbon and Their Composites for Supercapacitor Applications: Sources, Functions, and Mechanisms

Biomass-derived carbons are eco-friendly and sustainable materials, making them ideal for supercapacitors due to their high surface area, excellent conductivity, cost-effectiveness, and environmental benefits. This review provides valuable insights into biomass-derived carbon and modified carbon for supercapacitors, integrating both experimental results and theoretical calculations. This review begins by discussing the origins of biomass-derived carbon in supercapacitors, including plant-based, food waste-derived, animal-origin, and microorganism-generated sources. Then, this review presents strategies to improve the performance of biomass-derived carbon in supercapacitors, including heteroatom doping, surface functionalization, and hybrid composite construction. Furthermore, this review analyzes the functions of biomass-derived carbon in supercapacitors both in its pure form and as modified materials. The review also explores composites derived from biomass-based carbon, including carbon/MXenes, carbon/MOFs, carbon/graphene, carbon/conductive polymers, carbon/transition metal oxides, and carbon/hydroxides, providing a thorough investigation. Most importantly, this review offers an innovative summary and analysis of the role of biomass-derived carbon in supercapacitors through theoretical calculations, concentrating on four key aspects: energy band structure, density of states, electron cloud density, and adsorption energy. Finally, the review concludes the future research directions for biomass carbon-based supercapacitors, including the discovery of novel biomass materials, tailoring surface functional groups, fabricating high-performance composite materials, exploring ion transfer mechanisms, and enhancing practical applications. In summary, this review offers a thorough exploration of the sources, functions, and mechanisms of biomass-derived carbon in supercapacitors, providing valuable insights for future research.

biomass-derived carbon↗
DOE OSTI2021

Composition-Dependent Photoluminescence Properties and Anti-Counterfeiting Applications of A 2 AgX 3 (A = Rb, Cs; X = Cl, Br, I)

Copper(I) halides are emerging as attractive alternatives to lead halide perovskites for optical and electronic applications. However, blue-emitting all-inorganic copper(I) halides suffer from poor stability and lack of tunability of their photoluminescence (PL) properties. In this work, the preparation of silver(I) halides A 2 AgX 3 (A = Rb, Cs; X = Cl, Br, I) through solid-state synthesis is reported. In contrast to the Cu(I) analogs, A 2 AgX 3 are broad-band emitters sensitive to A and X site substitutions. First-principle calculations show that defect-bound excitons are responsible for the observed main PL peaks in Rb 2 AgX 3 and that self-trapped excitons (STEs) contribute to a minor PL peak in Rb 2 AgBr 3 . This is in sharp contrast to Rb 2 CuX 3 , in which the PL is dominated by the emission by STEs. Moreover, the replacement of Cu(I) with Ag(I) in A 2 AgX 3 significantly improves photostability and stability in the air under ambient conditions, which enables their consideration for practical applications. Thus, luminescent inks based on A 2 AgX 3 are prepared and successfully used in anti-counterfeiting applications. The excellent light emission properties, significantly improved stability, simple preparation method, and tunable light emission properties demonstrated by A 2 AgX 3 suggest that silver(I) halides may be attractive alternatives to toxic lead halide perovskites and unstable copper(I) halides for optical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stable Pentagonal Layered Palladium Diselenide Enables Rapid Electrosynthesis of Hydrogen Peroxide

Electrosynthesis of hydrogen peroxide (H 2 O 2 ) via the two-electron oxygen reduction reaction (2e – ORR) is promising for various practical applications, such as wastewater treatment. However, few electrocatalysts are active and selective for 2e – ORR yet are also resistant to catalyst leaching under realistic operating conditions. Here, a joint experimental and computational study reveals active and stable 2e – ORR catalysis in neutral media over layered PdSe 2 with a unique pentagonal puckered ring structure type. Computations predict active and selective 2e – ORR on the basal plane and edge of PdSe 2 , but with distinct kinetic behaviors. Further, electrochemical measurements of hydrothermally synthesized PdSe 2 nanoplates show a higher 2e – ORR activity than other Pd–Se compounds (Pd 4 Se and Pd 17 Se 15 ). PdSe 2 on a gas diffusion electrode can rapidly accumulate H 2 O 2 in buffered neutral solution under a high current density. The electrochemical stability of PdSe 2 is further confirmed by long device operational stability, elemental analysis of the catalyst and electrolyte, and synchrotron X-ray absorption spectroscopy. This work establishes a new efficient and stable 2e – ORR catalyst at practical current densities and opens catalyst designs utilizing the unique layered pentagonal structure motif.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Enhancements to Linear Stability-Based, CFD-integrated Transition Prediction for High-Speed Flows

Combining linear stability calculations with computational fluid dynamics (CFD) simulations has great potential for the automated modeling of high-speed flows, especially when adequate information about the configuration and the disturbance environment is available. However, a significant impediment to the applicability of this technique is the lack of an efficient method to calculate the crucial amplification ratio corresponding to the onset of transition in hypersonic flows. This ratio, also known as the "transition N-factor," is dependent upon the freestream disturbance environment as well as the surface properties of the test article. In response to the need for an engineering solution to predict the transition N-factor within conventional hypersonic wind tunnels, this paper presents a data-driven correlation that expands the existing correlations from straight circular cones with a narrow range of half angles to a broader array of axisymmetric configurations. Furthermore, when tested against a chosen dataset that was not used in its calibration, the suggested correlation shows good predictive accuracy with an RMS error of only 6.9%. Although similar accuracy may also be achieved via existing correlations based on similar datasets, predictions based on the proposed correlation have the advantage of not requiring an extensive amount of configuration-specific data. Practical applications often have access to the input parameters needed for this correlation, such as the freestream disturbance intensity, Mach number, and body-based slenderness Reynolds number. Additionally, this correlation outperforms the traditional assumption of a constant N-factor, particularly for configurations with blunted nose geometries. The development of this correlation is grounded in an extensive dataset encompassing conical models with body half-angles varying between 5 degrees and 16 degrees, Mach numbers ranging from 5 to 14, and nosetip-based Reynolds numbers approaching the transition reversal limit for blunt-nosed cones.

CFD↗
NASA NTRSDate not supplied

Enhancements to Linear Stability-Based, CFD-integrated Transition Prediction for High-Speed Flows

Combining linear stability calculations with computational fluid dynamics (CFD) simulations has great potential for the automated modeling of high-speed flows, especially when adequate information about the configuration and the disturbance environment is available. However, a significant impediment to the applicability of this technique is the lack of an efficient method to calculate the crucial amplification ratio corresponding to the onset of transition in hypersonic flows. This ratio, also known as the "transition N-factor," is dependent upon the freestream disturbance environment as well as the surface properties of the test article. In response to the need for an engineering solution to predict the transition N-factor within conventional hypersonic wind tunnels, this paper presents a data-driven correlation that expands the existing correlations from straight circular cones with a narrow range of half angles to a broader array of axisymmetric configurations. Furthermore, when tested against a chosen dataset that was not used in its calibration, the suggested correlation shows good predictive accuracy with an RMS error of only 6.9%. Although similar accuracy may also be achieved via existing correlations based on similar datasets, predictions based on the proposed correlation have the advantage of not requiring an extensive amount of configuration-specific data. Practical applications often have access to the input parameters needed for this correlation, such as the freestream disturbance intensity, Mach number, and body-based slenderness Reynolds number. Additionally, this correlation outperforms the traditional assumption of a constant N-factor, particularly for configurations with blunted nose geometries. The development of this correlation is grounded in an extensive dataset encompassing conical models with body half-angles varying between 5 degrees and 16 degrees, Mach numbers ranging from 5 to 14, and nosetip-based Reynolds numbers approaching the transition reversal limit for blunt-nosed cones.

CFD↗
DOE OSTI2020

Spin–orbit torques in structures with asymmetric dusting layers

Current-induced spin–orbit torques (SOTs) in heavy metal/ferromagnet heterostructures have emerged as an efficient method for magnetization switching with applications in nonvolatile magnetic memory and logic devices. However, experimental realization of SOT switching of perpendicular magnetization requires an additional inversion symmetry breaking, calling for modifications of the conventional SOT heterostructures. In this work, we study SOTs and deterministic switching of perpendicular magnetization by inserting different asymmetric dusting layers at the heavy metal/ferromagnet interface. Similar to the previous works with lateral structural asymmetry, we study the emergence of current-induced perpendicular effective magnetic fields (H z eff ). By examining three different material combinations of heavy metal/dusting layers (W/IrMn, Pt/IrMn, and W/Ta), we shed light on the origins of H z eff ; we show that H z eff is generically created in all the studied asymmetric structures, has a close correlation with the interfacial magnetic anisotropy, and is independent of the signs of spin Hall angles of the materials. Furthermore, we show that the induction of H z eff enables field-free deterministic SOT switching of perpendicular magnetization. Our results can be used in designing SOT heterostructures for practical applications in nonvolatile technologies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2004

Model-Based Engineering Design for Trade Space Exploration throughout the Design Cycle

This paper presents ongoing work to standardize model-based system engineering as a complement to point design development in the conceptual design phase of deep space missions. It summarizes two first steps towards practical application of this capability within the framework of concurrent engineering design teams and their customers. The first step is standard generation of system sensitivities models as the output of concurrent engineering design sessions, representing the local trade space around a point design. A review of the chosen model development process, and the results of three case study examples, demonstrate that a simple update to the concurrent engineering design process can easily capture sensitivities to key requirements. It can serve as a valuable tool to analyze design drivers and uncover breakpoints in the design. The second step is development of rough-order- of-magnitude, broad-range-of-validity design models for rapid exploration of the trade space, before selection of a point design. At least one case study demonstrated the feasibility to generate such models in a concurrent engineering session. The experiment indicated that such a capability could yield valid system-level conclusions for a trade space composed of understood elements. Ongoing efforts are assessing the practicality of developing end-to-end system-level design models for use before even convening the first concurrent engineering session, starting with modeling an end-to-end Mars architecture.

models↗
DOE OSTI2021

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗
DOE OSTI2024

The power reliability event simulator tool (PRESTO): A novel approach to distribution system reliability analysis and applications

The growing interest in onsite solar photovoltaic and energy storage systems is partially motivated by customer concerns regarding grid reliability. However, accurately assessing the effectiveness of PVESS in mitigating these interruptions requires a comprehensive understanding of location-specific outage patterns and the ability to simulate realistic scenarios. To address the gap, we introduce the Power Reliability Event Simulation TOol (PRESTO), the first publicly available tool that simulates location-specific power interruptions at the county level. PRESTO allows for a more realistic assessment of system reliability by considering the unpredictability and location-specific patterns of power interruptions. We applied PRESTO in a case study of a single-family home across three U.S. counties, examining the performance of a solar photovoltaic system with 10kWh of battery storage during short-duration power interruptions. Our findings show that this system reliably met 93% of energy demand for essential non-heating and cooling loads, fully serving these loads in 84% of events, despite the constraints of daily time-of-use bill management which limits the battery's state-of-charge reserve. However, when heating and cooling loads were included, system performance decreased significantly, with only 70% of demand met and full service in 43% of events. These results highlight the challenges of using solar photovoltaic and energy storage systems for short-duration outages, emphasizing the need to consider factors like battery size and grid charging strategies to improve reliability. Our study demonstrates the practical applications of PRESTO, providing valuable insights into potential mitigation strategies including grid charging and optimizing battery size.

14 SOLAR ENERGY↗
DOE OSTI2022

Numerical fluid dynamics for FRG flow equations: Zero-dimensional QFTs as numerical test cases. I. The O ( N ) model

The functional renormalization group (FRG) approach is a powerful tool for studies of a large variety of systems, ranging from statistical physics over the theory of the strong interaction to gravity. The practical application of this approach relies on the derivation of so-called flow equations, which describe the change of the quantum effective action under the variation of a coarse-graining parameter. In the present work, we discuss in detail a novel approach to solve such flow equations. This approach relies on the fact that RG equations can be rewritten such that they exhibit similarities with the conservation laws of fluid dynamics. This observation can be exploited in different ways. First of all, we show that this allows to employ powerful numerical techniques developed in the context of fluid dynamics to solve RG equations. In particular, it allows us to reliably treat the emergence of nonanalytic behavior in the RG flow of the effective action as it is expected to occur in studies of, e.g., spontaneous symmetry breaking. Second, the analogy between RG equations and fluid dynamics offers the opportunity to gain novel insights into RG flows and their interpretation in general, including the irreversibility of RG flows. Further, we work out this connection in practice by applying it to zero-dimensional quantum-field theoretical models. The generalization to higher-dimensional models is also discussed. Our findings are expected to help improving future FRG studies of quantum field theories in higher dimensions both on a qualitative and quantitative level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Triggering Anionic Redox Activity in Li 3 NbS 4 Through Cationic Disordering or Substitution

Extensive utilization of Li-ion batteries for varieties of applications necessitates ceaseless improvements of electrode materials for achieving higher energy density. Towards this goal, Li-rich layered oxides exhibiting high capacity due to cumulated cationic and anionic redox activities are under study for nearly a decade. Still, several unanswered questions remain with respect to these Li-driven anionic redox reactions in terms of the activation process and long-term consequences upon cycling. Here, the Li-rich Li 3 NbS 4 phase is focused, and synthesized as two different polymorphs, namely ordered and disordered phases. From analyses of their chemical and electrochemical properties, a crystal-electronic structure relationship is unraveled that triggers the anionic redox activity in these compounds. Moreover, through complementary theoretical calculations, the capability of cationic disorder to trigger anionic redox activity via the hybridization of cationic and non-bonding anionic energy levels is shown. This finding is further supported by the appearance of anionic redox activity by introducing the disorder through cationic substitution. Altogether, the insights derived here can help in designing new anionic redox materials with optimum performances for practical applications.

25 ENERGY STORAGE↗
DOE OSTI2023

Exceptional Thermochemical Stability of Graphene on N-Polar GaN for Remote Epitaxy

In this study, we investigate the thermochemical stability of graphene on the GaN substrate for metal–organic chemical vapor deposition (MOCVD)-based remote epitaxy. Despite excellent physical properties of GaN, making it a compelling choice for high-performance electronic and light-emitting device applications, the challenge of thermochemical decomposition of graphene on a GaN substrate at high temperatures has obstructed the achievement of remote homoepitaxy via MOCVD. Our research uncovers an unexpected stability of graphene on N-polar GaN, thereby enabling the MOCVD-based remote homoepitaxy of N-polar GaN. Our comparative analysis of N- and Ga-polar GaN substrates reveals markedly different outcomes: while a graphene/N-polar GaN substrate produces releasable microcrystals (μCs), a graphene/Ga-polar GaN substrate yields nonreleasable thin films. We attribute this discrepancy to the polarity-dependent thermochemical stability of graphene on the GaN substrate and its subsequent reaction with hydrogen. Evidence obtained from Raman spectroscopy, electron microscopic analyses, and overlayer delamination points to a pronounced thermochemical stability of graphene on N-polar GaN during MOCVD-based remote homoepitaxy. Molecular dynamics simulations, corroborated by experimental data, further substantiate that the thermochemical stability of graphene is reliant on the polarity of GaN, due to different reactions with hydrogen at high temperatures. In conclusion, based on the N-polar remote homoepitaxy of μCs, the practical application of our findings was demonstrated in fabrication of flexible light-emitting diodes composed of p–n junction μCs with InGaN heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗