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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

A high-fidelity batch simulation environment for integrated batch and piloted air combat simulation analysis

A batch air combat simulation environment known as the Tactical Maneuvering Simulator (TMS) is presented. The TMS serves as a tool for developing and evaluating tactical maneuvering logics and to evaluate the tactical implications of perturbations to aircraft performance or supporting systems. The TMS is capable of simulating air combat between any number of engagement participants, with practical limits imposed by computer memory and processing power. Aircraft are modeled using equations of motion, control laws, aerodynamics and propulsive characteristics, and databases representative of a modern high-performance aircraft with and without thrust-vectoring capability are included. A Tactical Autopilot is implemented in the aircraft simulation model to convert guidance commands issued by computerized maneuvering logics in the form of desired angle-of-attack and wind axis-bank angle into inputs to the inner-loop control augmentation system of the aircraft.

Goodrich, Kenneth H.↗
NASA NTRS2020

Multidisciplinary Systems Analysis of a Six Passenger Quadrotor Urban Air Mobility Vehicle Powertrain

There is a high degree of research interest in the design space for electric vertical takeoff and landing (eVTOL) vehicles, because these vehicles are seen as key enablers for urban air mobility (UAM). This work further explores the eVTOL design space, by presenting analysis of a six-passenger eVTOL quadrotor powertrain, with integrated power, propulsion, and thermal management systems modeled using the Numerical Propulsion System Simulation (NPSS) and the NPSS Power System Library. Four architectures are modeled at the same design point and compared over a design mission. Results from an architecture comparison study show that a hybrid architecture performs best in terms of cruise range, however, the hybrid needs batteries with high specific energy and specific power in order to obtain a benefit vs turboelectric architectures. Sensitivity studies are conducted to show correlations between component parameters and system metrics. This data provides useful indicators for further technological improvement. Lastly, an initial TMS model is presented, and sensitivity studies on TMS design parameters are presented as well, to show high level TMS design trends.

electrified propulsion↗
NASA NTRSDate not supplied

Multidisciplinary Systems Analysis of a Six Passenger Quadrotor Urban Air Mobility Vehicle Powertrain

There is a high degree of research interest in the design space for electric vertical takeoff and landing (eVTOL) vehicles, because these vehicles are seen as key enablers for urban air mobility (UAM). This work further explores the eVTOL design space, by presenting analysis of a six-passenger eVTOL quadrotor powertrain, with integrated power, propulsion, and thermal management systems modeled using the Numerical Propulsion System Simulation (NPSS) and the NPSS Power System Library. Four architectures are modeled at the same design point and compared over a design mission. Results from an architecture comparison study show that a hybrid architecture performs best in terms of cruise range, however, the hybrid needs batteries with high specific energy and specific power in order to obtain a benefit vs turboelectric architectures. Sensitivity studies are conducted to show correlations between component parameters and system metrics. This data provides useful indicators for further technological improvement. Lastly, an initial TMS model is presented, and sensitivity studies on TMS design parameters are presented as well, to show high level TMS design trends.

evtol↗
NASA NTRSDate not supplied

Thermal Management System Sizing and Mission Analysis for the SUSAN Electrofan Aircraft

This paper will detail the design, sizing, and mission analysis for the thermal management system (TMS) for the Subsonic Single Aft eNgine (SUSAN) aircraft. Previous work has defined key performance parameters (KPPs) for the electrical power system on SUSAN. These KPPs, efficiency and specific power, were assigned values for each power system component at minimum, nominal, and maximum levels of technology development. The values were based on NASA’s research in Electrified Aircraft Propulsion (EAP) technology. A similar approach was taken in this work, defining and assigning values for KPPs for each component of the TMS. These KPPs are used as inputs to the TMS analysis and sizing and establish targets for future technology development. The minimum level is based on the current state of the art, using available data on commercial off-the-shelf products from suppliers, datasheets, or testing. The nominal level is based on recent published research and on-going NASA-funded work. The maximum level represents a projection of technology performance into the future.

Electrified Aircraft↗
NASA NTRSDate not supplied

Thermal Management Key Performance Parameter Development and System Analysis for the SUSAN Electrofan Aircraft

A set of key performance parameters (KPPs) for thermal management system (TMS) components was developed for use in system sizing and analysis. These KPPs were defined at three different levels of performance corresponding to different ranges of Technology Readiness Levels. KPP values were determined based on a large dataset that includes analysis and testing data from literature, NASA-funded research, and commercial product datasheets. These KPPs were then used to perform a TMS sizing and analysis of the SUbsonic Single Aft eNgine (SUSAN) aircraft. Total TMS mass, power consumption, and drag is quantified at each KPP level, showing decreasing trends as the level of technology improves.

thermal management↗
DOE OSTI2016

On-the-Fly Treatment of Temperature Dependent Cross Sections in the Unresolved Resonance Regions in RMC Code

Monte Carlo method can provide high fidelity neutronics analysis of different nuclear reactors, owing to its advantages of the flexible geometry modeling and the use of continuous-energy nuclear cross sections. It can also be coupled with thermal-hydraulics codes to consider the feedback. For thermal reactors such as PWR and HTGR, two main temperature effects should be considered. The first is the effect of thermal motion of target nuclei in resolved resonance energy regions, which is known as Doppler effect. The second is the thermal scattering and bound effect in thermal energy regions. The traditional approach of pre-generated cross sections has difficulty in memory footprint for detailed temperature modelling in multi-physics calculations. Recently, on-the-fly (OTF) technique has been proposed in order to reduce the memory consumption for both resolved resonance energy and thermal energy. For fast reactors calculations, the temperature dependence of cross sections in the unresolved resonance energy regions is also important. However, less attention was paid to the unresolved resonance regions compared with resolved resonance energy and thermal energy. In this paper, the on-the-fly temperature treatment of cross sections in unresolved resonance regions was proposed and developed in RMC codes. The results show that the on-the-fly treatment has high efficiency and satisfactory fidelity. The on-the-fly treatment of unresolved resonance region was also combined with the target motion sampling (TMS) method for resolved resonance energy. The formats of libraries were changed, in which the probability tables were separated from the cross sections. Then the interpolation of probability table was performed on-the-fly during the transport routine. The results show that the on-the-fly treatment has high efficiency and satisfactory fidelity. The on-the-fly treatment of unresolved resonance region was also combined with the target motion sampling (TMS) method for resolved resonance energy, showing that TMS method is effective and accurate for cross sections treatment in resolved resonance energy regions. The memory saving of the on-the-fly treatment is also considerable. For the high-fidelity 'transport-burnup-thermal-hydraulics' coupling calculation, the memory requirement is 60 Mb. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Fully Exploited Oxygen Redox Reaction by the Inter-Diffused Cations in Co-Free Li-Rich Materials for High Performance Li-Ion Batteries

To meet the growing demand for global electrical energy storage, high-energy-density electrode materials are required for Li-ion batteries. To overcome the limit of the theoretical energy density in conventional electrode materials based solely on the transition metal redox reaction, the oxygen redox reaction in electrode materials has become an essential component because it can further increase the energy density by providing additional available electrons. However, the increase in the contribution of the oxygen redox reaction in a material is still limited due to the lack of understanding its controlled parameters. Here, it is first proposed that Li-transition metals (TMs) inter-diffusion between the phases in Li-rich materials can be a key parameter for controlling the oxygen redox reaction in Li-rich materials. The resulting Li-rich materials can achieve fully exploited oxygen redox reaction and thereby can deliver the highest reversible capacity leading to the highest energy density, ≈1100 Wh kg -1 among Co-free Li-rich materials. The strategy of controlling Li/transition metals (TMs) inter-diffusion between the phases in Li-rich materials will provide feasible way for further achieving high-energy-density electrode materials via enhancing the oxygen redox reaction for high-performance Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Mixed Ionic–Electronic Conductor of Perovskite Li x La y MO 3-δ toward Carbon-Free Cathode for Reversible Lithium–Air Batteries

Mixed ionic–electronic conductors (MIECs) can play a pivotal role in achieving high energies and power densities in rechargeable batteries owing to their ability to simultaneously conduct ions and electrons. In our study, a new strategy is proposed wherein late 3d transition metals (TMs) are substituted into a perovskite Li-ion conductor to transform it into a Li-containing MIEC. First-principles calculations show that perovskite Li x La y MO 3 with late 3d TMs have a low oxygen vacancy formation energy, implying high electron carrier concentrations corresponding to high electronic conductivity. The activation barriers for Li diffusion in Li x La y MO 3 (M = Ti, Cr, Mn, Fe, and Co) are below 0.411 eV, resulting in high Li-ion conductivity. The designed perovskites of Li0.34La 0.55 MnO 3-δ experimentally prove to have high electronic (2.04 × 10 -3 S cm -1 ) and Li-ion (8.53 × 10 -5 S cm -1 ) conductivities, and when applied in a carbon-free cathode of a Li–air cell, they deliver superior reversibility at 0.21 mAh cm -2 over 100 charge/discharge cycles while avoiding the degradation associated with carbonaceous materials. Finally, this strategy enables the effective design of Li-conducting MIEC and reversible Li–air batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Dual–Phase Electrolyte for High–Energy Lithium–Sulfur Batteries

Dissolution of lithium polysulfides (LiPSs) is essential for fast cathode kinetics, but detrimental for anode stability, especially under lean electrolyte conditions. Here in this work, the phase separation phenomenon between solvents with different polarities (tetramethyl sulfone [TMS] and dibutyl ether [DBE]) is utilized to enable the design of a dual-phase electrolyte. High-polarity, high-density TMS–lithium bis(trifluoromethanesulfonyl)imide–ammonium trifluoroacetate as the cathode electrolyte strongly solvates LiPSs, which propel the sulfur redox reaction. Moreover, the composite of DBE and a polymeric ion conductor serves as the anode electrolyte. The addition of DBE in the anode side effectively prevents the crossover of corrosive species (LiPSs and ammonia trifluoroacetate), enabling a significant improvement in Li-metal anode stability. The electrode-specific dual-phase electrolyte design provides electrochemical performance superior to conventional electrolytes. Without additional electrode engineering, pouch cells assemble with the dual-phase electrolyte cycle under a lean electrolyte (4 µL mg –1 ) and low-Li-excess condition (N/P = 3) for 120 cycles.

25 ENERGY STORAGE↗
DOE OSTI2021

Vacancy‐Enabled O3 Phase Stabilization for Manganese‐Rich Layered Sodium Cathodes

Abstract Manganese‐rich layered oxide materials hold great potential as low‐cost and high‐capacity cathodes for Na‐ion batteries. However, they usually form a P2 phase and suffer from fast capacity fade. In this work, an O3 phase sodium cathode has been developed out of a Li and Mn‐rich layered material by leveraging the creation of transition metal (TM) and oxygen vacancies and the electrochemical exchange of Na and Li. The Mn‐rich layered cathode material remains primarily O3 phase during sodiation/desodiation and can have a full sodiation capacity of ca. 220 mAh g −1 . It delivers ca. 160 mAh g −1 specific capacity between 2–3.8 V with >86 % retention over 250 cycles. The TM and oxygen vacancies pre‐formed in the sodiated material enables a reversible migration of TMs from the TM layer to the tetrahedral sites in the Na layer upon de‐sodiation and sodiation. The migration creates metastable states, leading to increased kinetic barrier that prohibits a complete O3‐P3 phase transition.

Xiao, Biwei↗
DOE OSTI2019

The helix⁻inversion mechanism in double₋stranded helical oligomers bridged by rotary cyclic boronate esters

Attracted by the numerous regulatory functions of double-helical biopolymers such as DNA, many researchers have synthesized various double-helical systems. A recently synthesized double-stranded helical oligomer covalently bridged by rotary boronate esters (BBDD) was shown to undergo helix-inversion that might serve as platform to design rotor systems. Yet, the detailed helix-inversion mechanism could not be investigated experimentally. Direct molecular dynamics simulations based on density-functional tight-binding energies and gradients computed on-the-fly reveal that disentanglement to the unraveled form and following exchange of the twisted terminal trimethylsilyl (TMS) groups are prerequisites for the observed helix-inversion. The possibility of mean force confirms that the originally assumed “concurrent” rotation of the boronate esters and the helix-inversion involves shorter time scale “step-wise” processes, triggered by the disentanglement and exchange of the TMS groups. These results suggest that inversion dynamics of double-helical molecules such as BBDD may be controllable by chemical fine-tuning of the terminal groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Corrosion of Magnesium in Multimaterial System

The TMS Magnesium Committee has been actively involved in presenting cutting-edge research and development and the latest trends related to magnesium and its alloys to industry and academia. Topics including magnesium alloy development, applications, mechanism of deformation and corrosion, thermomechanical processing, modelling, etc. have been captured year after year through the Magnesium Technology symposium and conference proceedings at TMS and through special topics in JOM. Every year, based on the unanimous endorsement from the industry and academia, a topic is selected to address the latest developments within this subject in JOM. In continuation with last year’s coverage of Advances and Achievements in In-Situ Analysis of Corrosions and Structure–Property Relationship in Mg Alloys,[1] this year’s topic focuses on the Corrosion of Magnesium in Multimaterial Systems. Magnesium, the lightest of all the structural materials, has garnered much interest in the transportation, electronics packaging, defense equipments and industries alike and are more commonly being incorporated in multimaterial design concepts.[2-4] However, the application of the same is limited due to its highly corrosive nature, and understanding and mitigating the corrosion of magnesium has been a major research challenge.

Joshi, Vineet V.↗
DOE OSTI2021

Effects of Co doping on the structure and physicochemical properties of hausmannite (Mn 3 O 4 ) and its transformation during aging

Hausmannite is a common low-valence manganese oxide mineral with a distorted spinel structure in surficial sediments. Although natural Mn oxides often contain various transition metal (TM) impurities, few studies have addressed the substitution mechanisms of TMs, such as cobalt (Co), with hausmannite and induced changes in the mineral physicochemical properties. In this study, Co-doped hausmannites with final Co/Mn molar ratios of 0.05 and 0.11 were synthesized and characterized by wet chemical analysis, powder X-ray diffraction (XRD), Fourier transformed infrared spectra (FTIR), high resolution transmission electron microscope (HRTEM), X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure spectroscopy (XAFS). Co-doped samples have larger crystallite sizes and smaller specific surface areas than those of the hausmannite without Co. The Co cations exist in a mixed-valence of +3 and + 2. Powder XRD and acid dissolution experiments indicate that Co incorporates into the mineral structures, and increases the mineral structural stability. Co K-edge extended X-ray adsorption fine structure (EXAFS) analysis demonstrates that Co likely substitutes for lattice Mn(III). After aging at room temperature for three years, 14.1 ± 1.9% of pure hausmannite is transformed to manganite while only 2.6 ± 0.7% of manganite appears in the aged Co-doped sample with an initial Co/Mn molar ratio of 0.10. Finally, these results provide new insights into the incorporation mechanisms of TMs into low valence Mn oxides, and the stability of these minerals in natural environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Sulfone-based electrolytes for high energy density lithium-ion batteries

Here, in this work, localized high concentration electrolytes (LHCEs) based on tetramethylene sulfone (TMS) were designed. Similar to LHCEs based on other solvents, TMS-based LHCEs can achieve excellent compatibility with high energy density lithium ion batteries (LIBs) when combined with a proper additive. By comparing LHCEs based on different solvents and additives, it was revealed that the unique solvation structure of LHCEs facilitates the synergetic decomposition of anion, solvent and additive in the solid electrolyte interphase (SEI) formation. Proper combinations of the three constituents of the solvation sheaths in LHCEs can promote the formation of highly effective SEI on graphite negative electrode. The absence of LiPF 6 in LHCEs also suppresses the degradation of positive electrode materials in LIBs. The superior interphasial properties of LHCEs is the key to realizing the long lifespan of high energy density LIBs.

25 ENERGY STORAGE↗
DOE OSTI2022

In Situ 29 Si solid-state NMR study of grafting of organoalkoxysilanes to mesoporous silica nanoparticles

We report that since the catalytic activity and the stability of silica-bound organometallic complexes are affected by their interactions with hydroxyl groups on the surface, isolated hydroxyls are often created prior to the introduction of catalytic species. Here, we investigate a method to remove the indigenous hydroxyls and create new isolated hydroxyls by grafting organo-trimethoxysilane (R-TMS) to generate a silicon T 2 site, (≡SiO-) 2 SiR(-OH). We used in situ 29 Si solid-state NMR experiments to monitor the evolution of T n sites, (≡SiO - ) n SiR(-OH) 3-n (n = 1, 2, 3). The study indicates that i) the grafting proceeds in a consecutive manner as T 1 → T 2 → T 3 , and ii) the kinetics depend on the type of functional groups in the silane. However, the rates of T 1 formation and T 2 → T 3 conversion are also controlled to a significant extent by the entropy loss associated to the initial silane binding and the spatial arrangement of surface hydroxyls, respectively. The grafting of R-TMS with a basic functional group leads to a lower concentration of T 1 sites. The nucleophilicity of the functional group facilitates the grafting process by lowering the enthalpy barrier, while the T 1 formation rate is more influenced by the entropy barrier than the T 1 → T 2 conversion rate. Thus, the basic functional group promotes the T 1 → T 2 conversion more than the T 1 formation, resulting in a lower concentration of T 1 sites.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Stress-sensitivity of fracture conductivity of Tuscaloosa Marine Shale cores

Production decline from wells producing from shale rocks is typically quite rapid. One possible factor responsible for such decline is loss in fracture conductivity. This is true in the case of the Tuscaloosa Marine shale reservoir. In this work, the stress-dependent fracture conductivity of TMS core samples is investigated using five propped cores under varying stress conditions. In addition, the effects of static rock mechanical properties and rock mineralogy on conductivity decline are investigated. The mineralogy of each core sample was determined by X-ray Diffraction analysis. Fracture conductivity was measured using a Hassler-type pressure core holder with a pressure rating of 15,000 psi (103.42 MPa). Estimated rock mechanical properties showed that shale anisotropy could affect fracture conductivity. The time decline in conductivity revealed two possible decline trends, a) decline from the reduction in induced fracture width, and b) decline from the healing of developed micro-cracks. An exponential decline in fracture conductivity with increasing confinement pressure was observed with an average decline rate constant of 3.15 x 10 -10 mPa -1 . While rock mineralogy did not have any clear relationship with conductivity decline, the effects of rock mechanical properties were only important at 10.34 MPa confinement pressure and above. The observation showed that a high Young's modulus correlate to high conductivity, whereas a high Poisson's ratio correlate to low conductivity. This study provides useful observations for optimizing fracture design to enhance well productivity in the TMS.

02 PETROLEUM↗
DOE OSTI2017

Embryotoxic and pharmacologic potency ranking of six azoles in the rat whole embryo culture by morphological and transcriptomic analysis

Differential gene expression analysis in the rat whole embryo culture (WEC) assay provides mechanistic insight into the embryotoxicity of test compounds. In our study, we hypothesized that comparative analysis of the transcriptomes of rat embryos exposed to six azoles (flusilazole, triadimefon, ketoconazole, miconazole, difenoconazole and prothioconazole) could lead to a better mechanism-based understanding of their embryotoxicity and pharmacological action. For evaluating embryotoxicity, we applied the total morphological scoring system (TMS) in embryos exposed for 48 h. The compounds tested showed embryotoxicity in a dose-response fashion. Functional analysis of differential gene expression after 4 h exposure at the ID{sub 10} (effective dose for 10% decreased TMS), revealed the sterol biosynthesis pathway and embryonic development genes, dominated by genes in the retinoic acid (RA) pathway, albeit in a differential way. Flusilazole, ketoconazole and triadimefon were the most potent compounds affecting the RA pathway, while in terms of regulation of sterol function, difenoconazole and ketoconazole showed the most pronounced effects. Dose-dependent analysis of the effects of flusilazole revealed that the RA pathway related genes were already differentially expressed at low dose levels while the sterol pathway showed strong regulation at higher embryotoxic doses, suggesting that this pathway is less predictive for the observed embryotoxicity. A similar analysis at the 24-hour time point indicated an additional time-dependent difference in the aforementioned pathways regulated by flusilazole. In summary, the rat WEC assay in combination with transcriptomics could add a mechanistic insight into the embryotoxic potency ranking and pharmacological mode of action of the tested compounds. - Highlights: • Embryonic exposure to azoles revealed concentration-dependent malformations. • Transcriptomics could enhance the mechanistic knowledge of embryotoxicants. • Retinoic acid gene set identifies early embryotoxic responses to azoles. • Toxic versus pharmacologic potency determines functional efficacy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Influence of Rare-Earth Ion Radius on Metal–Metal Charge Transfer in Trinuclear Mixed-Valent Complexes

We report the synthesis and characterization of a highly conjugated bisferrocenyl pyrrolediimine ligand, Fc 2 PyrDIH (1), and its trinuclear complexes with rare earth ions—(Fc 2 PyrDI)M(N(TMS) 2 ) 2 (2-M, M = Sc, Y, Lu, La). Crystal structures, NMR spectra, and UV/Vis-NIR data are presented. The latter are in good agreement with DFT calculations, illuminating the impact of the rare earth ionic radius on NIR charge transfer excitations. For [2-Sc] + , the charge transfer is at 11500 cm -1 , while for [2-Y] + only a d-d transition at 8000 cm -1 is observed. Lu has an ionic radius in between Sc and Y, and the [2-Lu] + complex exhibits both transitions. From TDDFT analysis we assign the 11500 cm -1 transition as a mixture of MLCT and MMCT, rather than pure metal-to-metal CT, because it has significant ligand character. Typically, the ferrocenes have high rotational freedom in bis-ferrocenyl mixed valent complexes. However, in the present (Fc 2 PyrDI)M(N(TMS) 2 ) 2 complexes, ligand-ligand repulsions lock the rotational freedom, so that rare earth ionic radius-dependent geometric differences increasingly influence orbital overlap as the ionic radius falls. The Marcus-Hush coupling constant HAB trends as: [2-Sc] + >[2-Lu] + >[2-Y] +

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗