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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

A Pseudo-Temporal Multi-Grid Relaxation Scheme for Solving the Parabolized Navier-Stokes Equations

A multi-grid, flux-difference-split, finite-volume code, VULCAN, is presented for solving the elliptic and parabolized form of the equations governing three-dimensional, turbulent, calorically perfect and non-equilibrium chemically reacting flows. The space marching algorithms developed to improve convergence rate and or reduce computational cost are emphasized. The algorithms presented are extensions to the class of implicit pseudo-time iterative, upwind space-marching schemes. A full approximate storage, full multi-grid scheme is also described which is used to accelerate the convergence of a Gauss-Seidel relaxation method. The multi-grid algorithm is shown to significantly improve convergence on high aspect ratio grids.

White, J. A.↗
NASA NTRSDate not supplied

GASP Advancements With Symbolic Computations, Optimization, and Decoupled Numerical Methods

NASA is exploring advancements in hybrid-electric propulsion concepts for aircraft design. A new analysis capability has been deployed at NASA’s Ames Research Center using a new mathematical modeling framework in Python that leverages symbolic representation of mathematical expressions, optimization-based problem formulations, and standalone numerical methods. This capability, called Gascon, has been verified against NASA’s General Aviation Synthesis Program (GASP) results for several vehicles that exercise the analysis capability for a variety of aircraft classes and engine models, including both turbofans and turboprops. We believe this capability will set the stage for more rapid development of novel aircraft models with more flexible design assessments using optimization, and more traceable analysis for reproducibility. Additionally, a novel Pareto optimization-based design space exploration that shows the trade between range flown and fuel burn by manipulating the thrust split during cruise for a true parallel hybrid aircraft was developed by leveraging the unique features of Gascon.

aircraft design↗
NASA NTRS1988

Newton solution of inviscid and viscous problems

The application of Newton iteration to inviscid and viscous airfoil calculations is examined. Spatial discretization is performed using upwind differences with split fluxes. The system of linear equations which arises as a result of linearization in time is solved directly using either a banded matrix solver or a sparse matrix solver. In the latter case, the solver is used in conjunction with the nested dissection strategy, whose implementation for airfoil calculations is discussed. The boundary conditions are also implemented in a fully implicit manner, thus yielding quadratic convergence. Complexities such as the ordering of cell nodes and the use of a far field vortex to correct freestream for a lifting airfoil are addressed. Various methods to accelerate convergence and improve computational efficiency while using Newton iteration are discussed. Results are presented for inviscid, transonic nonlifting and lifting airfoils and also for laminar viscous cases.

Venkatakrishnan, V.↗
NASA NTRS1993

A technique for deriving column-integrated water content using VAS split-window data

An algorithm is examined that uses VISSR Atmospheric Sounder (VAS) 11- and 12-micron (split-window) data to derive column-integrated water content (IWC) at mesoscale resolution. The algorithm is physically based and derives its first-guess information from radiosonde data. The procedure is applied first to a test case data set and then to the 19 June 1986 study day from the Cooperative Huntsville Meteorological Experiment (COHMEX). Ground truth data for verifying results from the technique include IWC from National Weather Service and COHMEX radiosondes, the Multispectral Atmospheric Mapping Sensor (MAMS), and a special set of VAS soundings (12 channel) using an independent retrieval method. Results from the test case show reasonable accuracy with the rms errors as low as +/- 3.8 mm. On the 19 June case study day IWC analyses depict reasonable gradients and exhibit good spatial and temporal continuity. Furthermore, they provide insight into preferred regions for cumulus cloud and thunderstorm formation. On the average, a mean absolute retrieval error of 2.4 mm (an 8.1 percent error) and a rms error of +/- 2.9 mm are obtained on the case study day. These results compare favorably with those from existing VAS IWC techniques. Overall, the findings indicate that the technique has excellent potential to depict mesoscale moisture variations.

Guillory, Anthony R.↗
DOE OSTI2022

Editors’ Choice—Methods—Pressure Control Apparatus for Lithium Metal Batteries

Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably used in rechargeable batteries. Numerous works have been done to study how to regulate the Li growth in electrochemical cycling by using external stacking forces. While it is widely agreed that stack pressure positively affects the lithium plating/stripping process, the optimized pressure range provided by different works varies greatly because of the difference in the pressure control setup. In this work, a pressure control apparatus is designed for Li metal batteries with liquid and solid-state electrolytes (SSE). With considerations of minimizing cell to cell variation, a reusable split cell and pressure load cell are made for testing electrochemical cells with high precision pressure control. The capability of the designed setup is demonstrated by studying the pressure effect on the Li plating/stripping process.

25 ENERGY STORAGE↗
NASA NTRS1993

High accuracy computation of fluid-structure interaction in transonic cascades

A coupling strategy for simulating fluid-structure interaction phenomena is formulated and applied to the prediction of flutter in transonic cascades. The flow is governed by the Euler equations and discretized using a finite volume flux-splitting scheme. The structure is modeled using an isoparametric finite element formulation. The coupling strategy successfully reconciles these two formulations at the fluid-structure interface by enforcing both kinematic and kinetic boundary conditions. In particular, the conservation laws applicable to the combined fluid-structure system are preserved across the interface. Since the primary mechanism driving aeroelastic phenomena involves energy exchange occurring at the interface, this highly accurate coupling mechanism is believed to improve the predictive capability of the scheme. The coupled equations are advanced simultaneously in time using an implicit time integration method. Results obtained using the coupling method are presented for cascade geometries operating in transonic flow.

Boschitsch, Alexander↗
DOE OSTI2023

Neuroevolution Application to Collaborative and Heuristics-Based Connected and Autonomous Vehicle Cohort Simulation at Uncontrolled Intersection

Artificial intelligence is gaining tremendous attractiveness and showing great success in solving various problems, such as simplifying optimal control derivation. This work focuses on the application of Neuroevolution to the control of Connected and Autonomous Vehicle (CAV) cohorts operating at uncontrolled intersections. The proposed method implementation’s simplicity, thanks to the inclusion of heuristics and effective real-time performance are demonstrated. The resulting architecture achieves nearly ideal operating conditions in keeping the average speeds close to the speed limit. It achieves twice as high mean speed throughput as a controlled intersection, hence enabling lower travel time and mitigating energy inefficiencies from stop-and-go vehicle dynamics. Low deviation from the road speed limit is hence continuously sustained for cohorts of at most 50 m long. This limitation can be mitigated with additional lanes that the cohorts can split into. The concept also allows the testing and implementation of fast-turning lanes by simply replicating and reconnecting the control architecture at each new road crossing, enabling high scalability for complex road network analysis. The controller is also successfully validated within a high-fidelity vehicle dynamic environment, showing its potential for driverless vehicle control in addition to offering a new traffic control simulation model for future autonomous operation studies.

Jacquelin, Frederic (ORCID:0000000183154344)↗
NASA NTRS1998

An Object-Oriented Interface to the CCSDS Ground Telecommand Services

The Telecommand Data Routing and Channel Services defined by the Consultative Committee for Space Data Systems (CCSDS) are flexible enough to support a myriad of commanding models. Because the standard is so broad, the traditional approach has been to implement only the portion of the standard needed by the particular spacecraft being tested/operated. Tasked with providing Telecommand Services for an entire class of spacecraft, where each spacecraft may choose any valid CCSDS commanding model, NASA Code 584 designed a common architecture capable of handling the full CCSDS protocol. The solution uses another CCSDS standard - the Standard Formatted Data Unit (SFDU) as the interface to the Telecommand Services. SFDUs provide a consistent way of labelling data objects, as well as allowing data objects to encapsulate other data objects. The resulting interface is: - Flexible: The full Data Routing and Channel Services are available via a single interface. The client (i.e. the command source) may enter commands at any layer within the protocol stack, specify any of the data aggregation or segmentation methods, and dynamically set any configuration parameter defined in the standard. - Object-oriented: Each object specifies both the data and the actions to be performed with the data. An object may contain other objects. - Expandable: New capabilities are added by defining new objects. Objects pass thru the protocol layers until they reach the applicable layer. The resulting design is: - Modular: The logic for each protocol layer is contained in a separate Application Program Interface (API). The objects used for the external interface are also used for communication between layers. - Distributable: The design can be split along any layer boundary for distribution across multiple machines. The objects ensure data consistency across platforms. This paper describes the SFDU-based interface and the resulting protocol implementation. The implementation is currently used by NASA (National Aeronautics and Space Administration) for integration & test of the microwave Anisotropy Probe (MAP) and Earth observer-I (EO-l) spacecraft. It will be used for post-launch operations of these spacecraft as well as the Imager for Magnetopause to Aurora Global Exploration (IMAGE) spacecraft.

Ray, Timothy Joseph↗
NASA NTRS2014

Comptonization in Ultra-Strong Magnetic Fields: Numerical Solution to the Radiative Transfer Problem

We consider the radiative transfer problem in a plane-parallel slab of thermal electrons in the presence of an ultra-strong magnetic field (B approximately greater than B(sub c) approx. = 4.4 x 10(exp 13) G). Under these conditions, the magnetic field behaves like a birefringent medium for the propagating photons, and the electromagnetic radiation is split into two polarization modes, ordinary and extraordinary, that have different cross-sections. When the optical depth of the slab is large, the ordinary-mode photons are strongly Comptonized and the photon field is dominated by an isotropic component. Aims. The radiative transfer problem in strong magnetic fields presents many mathematical issues and analytical or numerical solutions can be obtained only under some given approximations. We investigate this problem both from the analytical and numerical point of view, provide a test of the previous analytical estimates, and extend these results with numerical techniques. Methods. We consider here the case of low temperature black-body photons propagating in a sub-relativistic temperature plasma, which allows us to deal with a semi-Fokker-Planck approximation of the radiative transfer equation. The problem can then be treated with the variable separation method, and we use a numerical technique to find solutions to the eigenvalue problem in the case of a singular kernel of the space operator. The singularity of the space kernel is the result of the strong angular dependence of the electron cross-section in the presence of a strong magnetic field. Results. We provide the numerical solution obtained for eigenvalues and eigenfunctions of the space operator, and the emerging Comptonization spectrum of the ordinary-mode photons for any eigenvalue of the space equation and for energies significantly lesser than the cyclotron energy, which is on the order of MeV for the intensity of the magnetic field here considered. Conclusions. We derived the specific intensity of the ordinary photons, under the approximation of large angle and large optical depth. These assumptions allow the equation to be treated using a diffusion-like approximation.

acceleration of particles↗
DOE OSTI2021

A transmissive concentrator photovoltaic module with cells directly cooled by silicone oil for solar cogeneration systems

Hybrid concentrator photovoltaic-thermal systems can cogenerate electricity and heat by beam-splitting incoming concentrated light onto photovoltaic cells and a thermal receiver to increase total conversion efficiency and potentially reduce system cost. To demonstrate this, we have designed and prototyped a transmissive spectrum-splitting concentrator photovoltaic module that maximizes solar energy conversion by utilizing the entire solar spectrum. Visible light is collected using infrared-transmissive triple-junction photovoltaic cells to achieve an in-band module efficiency of 43.3% for light of wavelength λ < 873 nm, while 44.2% of out-of-band light with λ > 873 nm is transmitted through for collection by a thermal receiver. During testing on a dual-axis tracked parabolic concentrator dish at up to 166 suns, cell temperatures were maintained at 119 °C or below via a novel active cooling method. This cooling system strictly flows silicone oil directly across both sides of the cells, without inhibiting optical transmission, as verified through experimentation and simulation. The module was validated outdoors for 572 sun·hrs, and achieved a maximum thermal receiver temperature of 180 °C. 86.1% of incident solar power is collected at 166 suns average concentration collectively among the electrical, cooling, and thermal receiver subsystems. The remaining 13.9% is lost to mirror reflectivity, dish shadowing, receiver reflection, and thermal losses. The ability to directly cool the cells with an inert silicone oil offers the potential for reduced system cost relative to previous transmissive hybrid concentrator photovoltaic-thermal systems, including microfluidic-cooled designs. This solar cogeneration capability is valuable in a wide range of commercial and industrial applications.

14 SOLAR ENERGY↗
DOE OSTI2019

Protection of GaInP 2 Photocathodes by Direct Photoelectrodeposition of MoS x Thin Films

Catalytic MoS x thin films have been directly photoelectrodeposited on GaInP 2 photocathodes for stable photoelectrochemical hydrogen generation. Specifically, the MoSx deposition conditions were controlled to obtain 8-10 nm films directly on p-GaInP 2 substrates without ancillary protective layers. The films were nominally composed of MoS 2 , with additional MoO x S y and MoO 3 species detected and showed no long-range crystalline order. The as-deposited material showed excellent catalytic activity toward the hydrogen evolution reaction relative to bare p-GaInP 2 . Notably, no appreciable photocurrent reduction was incurred by the addition of the photoelectrodeposited MoSx catalyst to the GaInP 2 photocathode under light-limited operating conditions, highlighting the advantageous optical properties of the film. The MoS x catalyst also imparted enhanced durability toward photoelectrochemical hydrogen evolution in acidic conditions, maintaining nearly 85% of the initial photocurrent after 50 h of electrolysis. In total, this work demonstrates a simple method for producing dual-function catalyst/protective layers directly on high-performance, planar III-V photoelectrodes for photoelectrochemical energy conversion.

14 SOLAR ENERGY↗
DOE OSTI2023

g-factor engineering with InAsSb alloys toward zero band gap limit

Band gap is known as an effective parameter for tuning the Landé g factor in semiconductors and can be manipulated in a wide range through the bowing effect in ternary alloys. In this work, using the recently developed virtual substrate technique, high-quality InAsSb alloys throughout the whole Sb composition range are fabricated and a large g factor of g≈-90 at the minimum band gap of ~0.1 eV, which is almost twice that in bulk InSb, is found. Further analysis to the zero gap limit reveals a possible gigantic g factor of g≈-200 with a peculiar relativistic Zeeman effect that disperses as the square root of magnetic field. Such a g-factor enhancement toward the narrow gap limit cannot be quantitatively described by the conventional Roth formula, as the orbital interaction effect between the nearly triply degenerated bands becomes the dominant source for the Zeeman splitting. These results may provide insights into realizing large g factors and spin-polarized states in semiconductors and topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ab Initio Structure and Vibration Properties of Oxyanionic Crystalline Hydrates

Structural parameters and IR spectra of hydrates of lithium and sodium perchlorates, calcium sulfate hydrate (gypsum), and lithium nitrate hydrate are calculated ab initio using the density functional theory. The bond lengths in the water molecules are established as functions of length and energy of hydrogen bonds. The relationship between lengths of intra-anionic and hydrogen bonds is considered. The splitting of intramolecular vibrations of water is highlighted. The stretching vibration frequency of water is determined as a function of length and energy of hydrogen bonds. The combined (mixed) vibrations of anions and molecules of water with frequencies below 1400 cm{sup –1} are feasible as well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction

In this paper, time-dependent electronic structure methods are growing in popularity as tools for modeling ultrafast and/or nonlinear processes, for computing spectra, and as the electronic structure component of mean-field molecular dynamics simulations. Time-dependent configuration interaction (TD-CI) offers several advantages over the widely used real-time time-dependent density functional theory: namely, that it correctly models Rabi oscillations; it offers a spin-pure description of open-shell systems; and a hierarchy of TD-CI methods can be defined that systematically approach the exact solution of the time-dependent Schrodinger equation (TDSE). In this work, we present a novel TD-CI approach that extends TD-CI to large complete active-space configuration expansions. Such extension is enabled by use of a direct configuration interaction approach that eliminates the need to explicitly build, store, or diagonalize the Hamiltonian matrix. Graphics processing unit (GPU) acceleration enables fast solution of the TDSE even for large active spaces—up to 12 electrons in 12 orbitals (853776 determinants) in this work. A symplectic split operator propagator yields long-time norm conservation. We demonstrate the applicability of our approach by computing the response of a large molecule with a strongly correlated ground state, decacene (C 42 H 24 ), to various pulses (δ-function, transform limited, chirped). Our simulations predict that chirped pulses can be used to induce dipole-forbidden transitions. Simulations of decacene using the 6-31G(d) basis set and a 12 electrons/12 orbitals active space took 20.1 h to propagate for 100 fs with a 1 attosecond time step on a single NVIDIA K40 GPU. Convergence with respect to time step is found to depend on the property being computed and the chosen active space.

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

EPR of Photoexcited Triplet-State Acceptor Porphyrins

The photoexcited triplet states of porphyrin architectures are of significant interest in a wide range of fields including molecular wires, nonlinear optics, and molecular spintronics. Electron paramagnetic resonance (EPR) is a key spectroscopic tool in the characterization of these transient paramagnetic states singularly well suited to quantify spin delocalization. Previous work proposed a means of extracting the absolute signs of the zero-field splitting (ZFS) parameters, D and E, and triplet sublevel populations by transient continuous wave, hyperfine measurements, and magnetophotoselection. Here, we present challenges of this methodology for a series of mesoperfluoroalkyl-substituted zinc porphyrin monomers with orthorhombic symmetries, where interpretation of experimental data must proceed with caution and the validity of the assumptions used in the analysis must be scrutinized. The EPR data are discussed alongside quantum chemical calculations, employing both DFT and CASSCF methodologies. Despite some success of the latter in quantifying the magnitude of the ZFS interaction, the results clearly provide motivation to develop improved methods for ZFS calculations of highly delocalized organic triplet states.

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

Deconvolution of Water-Splitting on the Triple-Conducting Ruddlesden–Popper-Phase Anode for Protonic Ceramic Electrolysis Cells

Triple-conducting materials have been proved to improve the performance of popular protonic ceramic electrolysis cells. However, partially because of the complexity of the water splitting reaction involving three charge carriers, that is, oxygen (O 2– ), proton (H + ), and electron (e – ), the triple-conducting reaction mechanism was not clear, and the reaction conducting pathways have seldom been addressed. In this study, the triple conducting Ruddlesden–Popper phase Pr 1.75 Ba 0.25 NiO 4+δ as an anode on the BaCe 0.7 Zr 0.1 Y 0.1 Yb 0.1 O 3–δ electrolyte was fabricated and its electroresponses were characterized by electrochemical impedance spectroscopy with various atmospheres and temperatures. The impedance spectra are deconvoluted by means of the distribution of the relaxation time method. The surface exchange rate and chemical diffusivity of H + and O 2– are characterized by electrical conductivity relaxation. The physical locations of electrochemical processes are also identified by atomic layer deposition with a surface inhibitor. A microkinetics model is proposed toward conductivities, triple-conducting pathways, reactant dependency, surface exchange and bulk diffusion capabilities, and other relevant properties. Lastly, the rate-limiting steps and suggestions for further improvement of electrode performance are presented.

25 ENERGY STORAGE↗
DOE OSTI2024

The physical chemistry of solar fuels catalysis

The demonstration of effective light-driven electrochemical water splitting at the surface of a TiO 2 electrode in the seminal 1972 Honda–Fujishima publication spurred global research efforts to understand this effect and design advanced systems for solar H 2 generation from water as a carbon-free and sustainable fuel. In the 50+ years since that discovery, research investigating approaches toward the catalytic generation of the so-called “solar fuels,” i.e., not only H 2 from water but also CO 2 reduction products and NH 3 from N 2 , has expanded dramatically in scope and scale. The development of new experimental and computational methods and construction and commissioning of large-scale facilities have paved the way for important insights into the machinery of natural photosynthesis, leading to a greater understanding of the complexity of light-to-chemical energy conversion with an exquisite temporal and spatial resolution. Finally, these studies have provided the foundation for biologically inspired molecular and hybrid designs with the goal to promote the photochemical steps critical to solar fuels generation while avoiding unproductive or unnecessary pathways.

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

GANISP (GAN-assisted Importance SPlitting)

Genealogical importance splitting marches towards a rare event by iteratively selecting and replicating realizations that are headed towards a rare event. The replication step is made difficult when applied to deterministic systems as the initial conditions of the offspring realizations need to be adjusted. Typically, a random perturbation is applied to the offspring. For some cases, this cloning technique may not be adequate and prevent variance reduction in the probability estimate. A GAN-based replication process is proposed to address this limitation. The perturbations applied to the clones are physically consistent instead of being randomly chosen. The proposed method allows reducing the variance in the probability estimation.

Hassanaly, Malik↗