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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 433 records · Page 24

High‐Performance Rechargeable Lithium‐Chlorine Batteries with ALD Conformal Starburst Porous Graphene Positive Electrodes

Abstract Rechargeable alkali metal‐chlorine batteries are emerging as a promising high‐energy‐density solution. However, they confront significant challenges, including the primary issue stemming from the weak binding affinity of cathode materials for Cl 2 , which leads to a sluggish and inadequate supply of Cl 2 during the redox reactions, resulting in a shortened cycle life and low Coulombic efficiency (CE), particularly when operating at ultrahigh specific capacity outputs. Herein, an Al 2 O 3 ‐skinned heterostructured starburst porous graphene with conformal metasurfaces (Al 2 O 3 @rGO) is reported, crafted from a hierarchical porous starburst graphene arranged in a unique layered structure by the PTFE microemulsion skin effect, leveraging subsequent fluidized bed atomic layer deposition (FBALD) of Al 2 O 3 groups. Al 2 O 3 @rGO features superhydrophilicity, effective adsorption, fast kinetics from stable dynamic respiratory interface, high electrical and thermal conductivity anisotropy, intelligent thermal management and safe operation over a wide temperature range. Consequently, the Li‐Cl 2 @Al 2 O 3 @rGO battery achieves an ultrahigh discharge specific capacity of 5000 mAh g −1 at ≈100% CE, and even delivers stable cycling over 200 cycles with 2000 mAh g −1 at an average CE of 99.8% under low temperature environment of ‐40 °C. The scalable heterostructure approach offers a sustainable perspective of the development of functionalized metamaterials and metasurfaces for next‐generation safe and energy‐dense batteries and broader applications.

Chemistry↗

Evaluation of RANS vs. LES simulation of fluid flow through 3 × 3 rod bundle with a simple spacer grid as a precursor to coupled fluid–structure interaction simulations

The research literature on Computational Fluid Dynamics (CFD) of coolant flow through rod bundles with spacer-grids and mixing vanes is replete, ranging from high fidelity Large Eddy Simulation (LES)/Direct Numerical Simulation (DNS) simulations to Reynolds-Averaged Navier–Stokes (RANS) modeled studies. The mixing of flow between subchannels and the pressure drop through the bundle are fundamental quantities useful for comparing and evaluating CFD methods. Less commonly observed and compared are the forces exerted onto the structure by the fluid. The present study seeks to evaluate the use of RANS simulations for predicting the structural response to fluid flow. Wall resolved RANS simulations are benchmarked against LES simulations of fluid flow at a Reynolds number of 15,000 through a 3 × 3 fuel rod bundle with a simple spacer grid. Velocity line-plots are compared showing good agreement between RANS and LES results, ascertaining that the former is capable of capturing the essential time-averaged velocity profile. Additionally, the distribution of forces on the spacer grid and fuel rods are collected as a function of time and space. The RANS methods are evaluated using the frequency and magnitude of the fluctuating forces on various portions of the structure as compared to LES. In conclusion, the power spectral density evaluation of the models reveal underprediction of force amplitude on the rod walls by RANS and also discrepancy in the prediction of high frequency spectra, especially in the immediate vicinity of spacer-grid structure, which may be attributed to the lack of random turbulence fluctuation or insufficient modeling of small-scale eddies in RANS simulation.

FIV↗

Modeling and simulation of multiphase flows

This presentation provides an overview of the National Energy Technology Laboratory’s (NETL) multiphase computational fluid dynamics codes. The highly successful Multiphase Flows with Interphase eXchanges (MFIX) suite has been used to model a wide range of applications including post-combustion carbon capture, bioreactor optimization, and bio-FCC regeneration. MFIX-Exa, a state-of-the-art CFD code, developed under DOE’s Exascale Computing Project, is built on the AMReX software framework (https://amrex-codes.github.io/) and is designed to leverage modern accelerator-based compute architectures. This presentation further reviews the underlying physical models of both MFIX and MFIX-Exa and contrasts their similarities and differences. Examples of past and present CFD simulations will illustrate how scientific computing at NETL is being used not only for scientific exploration but also for design, optimization and scale-up of multiphase flow devices.

Musser, Jordan [NETL]↗

Investigations of Mars dynamics and geodesy via the Viking spacecraft

Results are reported for analyses of Doppler, ranging, and tracking data from the Viking landers and orbiters of relevance to the dynamics and geodesy of Mars. Highly improved numerical results are given for the orientation of the spin axis of Mars, the planet's sidereal rotation rate, and the earth-Mars ephemeris. A refined definition of the global gravitational field of Mars is discussed, a local gravitational survey based on Viking Orbiter 2 tracking data is described, and a mass anomaly near Olympus Mons is noted. Radius data are examined which suggest an asymmetry in the figure of Mars characterized by generally higher topography in the southern than in the northern hemisphere. The mass of Phobos is determined on the basis of Orbiter 1 orbital perturbations, and the mean density of this Martian satellite is found to be approximately 2.0 g/cu cm, which is suggestive of primitive carbonaceous chondrites and, if true, implies that Phobos was formed in the asteroid belt.

Michael, W. H., Jr.↗

Bennett ion mass spectrometers on the Pioneer Venus Bus and Orbiter

Identical Bennett radio-frequency ion mass spectrometer instruments on the Pioneer Venus Bus and Orbiter have provided the first in-situ measurements of the detailed composition of the planet's ionosphere. The sensitivity, resolution, and dynamic range are sufficient to provide measurements of the solar-wind-induced bow-shock, the ionopause, and highly structured distributions of up to 16 thermal ion species within the ionosphere. The use of adaptive scan and detection circuits and servo-controlled logic for ion mass and energy analysis permits detection of ion concentrations as low as 5 ions/cu cm and ion flow velocities as large as 9 km/sec for O(+). A variety of commandable modes provides ion sampling rates ranging from 0.1 to 1.6 sec between measurements of a single constituent. A lightweight sensor and electronics housing are features of a compact instrument package.

Taylor, H. A., Jr.↗

Imaging MAMA detector systems

Imaging multianode microchannel array (MAMA) detector systems with 1024 x 1024 pixel formats have been produced for visible and UV wavelengths; the UV types employ 'solar blind' photocathodes whose detective quantum efficiencies are significantly higher than those of currently available CCDs operating at far-UV and EUV wavelengths. Attention is presently given to the configurations and performance capabilities of state-of-the-art MAMA detectors, with a view to the development requirements of the hybrid electronic circuits needed for forthcoming spacecraft-sensor applications. Gain, dark noise, uniformity, and dynamic range performance data are presented for the curved-channel 'chevron', 'Z-plate', and helical-channel high gain microchannel plate configurations that are currently under evaluation with MAMA detector systems.

Slater, David C.↗

Dynamic analysis of spur gears using computer program DANST

DANST is a computer program for static and dynamic analysis of spur gear systems. The program can be used for parametric studies to predict the effect on dynamic load and tooth bending stress of spur gears due to operating speed, torque, stiffness, damping, inertia, and tooth profile. DANST performs geometric modeling and dynamic analysis for low- or high-contact-ratio spur gears. DANST can simulate gear systems with contact ratio ranging from one to three. It was designed to be easy to use, and it is extensively documented by comments in the source code. This report describes the installation and use of DANST. It covers input data requirements and presents examples. The report also compares DANST predictions for gear tooth loads and bending stress to experimental and finite element results.

Oswald, Fred B.↗

Dynamic analysis of spur gears using computer program DANST

DANST is a computer program for static and dynamic analysis of spur gear systems. The program can be used for parametric studies to predict the effect on dynamic load and tooth bending stress of spur gears due to operating speed, torque, stiffness, damping, inertia, and tooth profile. DANST performs geometric modeling and dynamic analysis for low- or high-contact-ratio spur gears. DANST can simulate gear systems with contact ratio ranging from one to three. It was designed to be easy to use, and it is extensively documented by comments in the source code. This report describes the installation and use of DANST. It covers input data requirements and presents examples. The report also compares DANST predictions for gear tooth loads and bending stress to experimental and finite element results.

Oswald, Fred B.↗

Laser ranging data analysis

Center for Space Research efforts have focused on the near real-time analysis of Lageos laser ranging data and on the production of predictive ephemerides. The data are analyzed in terms of range bias, time bias, and internal precision, and estimates for the Earth orientation parameters X(sub p), Y(sub p) and UT1 are obtained. The results of these analyses are reported in a variety of formats. In addition several additional stations began sending not only quick-look observations but also normal points created on-site with new software. These normal points are transmitted in a new standard format different from either current quick-look or MERIT-II full-rate formats. Thus new preprocessing software was written and successfully tested on these data. Inspection of the Bendix produced Lageos full-rate normal points continued, with detailed analyses and filtering of all 1991 A and B release normal points for Lageos through the beginning of 1992. A summary of the combined full-rate and quick-look normal point data set created for 1991 is provided. New long-term ephemerides for Lageos satellite, as well as for Etalon-1 and Etalon-2 (the so-called high satellites used for laser ranging) were produced and distributed to the network stations in cooperation with the Crustal Dynamics Project and Eurolas. These predictions are used by essentially every laser ranging site obtaining regular returns from any of these three satellites.

Source record↗

Dynamic Analysis of Spur Gear Transmissions (DANST). PC Version 3.00 User Manual

DANST is a FORTRAN computer program for static and dynamic analysis of spur gear systems. The program can be used for parametric studies to predict the static transmission error, dynamic load, tooth bending stress and other properties of spur gears as they are influenced by operating speed, torque, stiffness, damping, inertia, and tooth profile. DANST performs geometric modeling and dynamic analysis for low- or high-contact-ratio spur gears. DANST can simulate gear systems with contact ratios ranging from one to three. It was designed to be easy to use and it is extensively documented in several previous reports and by comments in the source code. This report describes installing and using a new PC version of DANST, covers input data requirements and presents examples.

Oswald, Fred B.↗

Application of CART3D to Complex Propulsion-Airframe Integration with Vehicle Sketch Pad

Vehicle Sketch Pad (VSP) is an easy-to-use modeler used to generate aircraft geometries for use in conceptual design and analysis. It has been used in the past to generate metageometries for aerodynamic analyses ranging from handbook methods to Navier-Stokes computational fluid dynamics (CFD). As desirable as it is to bring high order analyses, such as CFD, into the conceptual design process, this has been difficult and time consuming in practice due to the manual nature of both surface and volume grid generation. Over the last couple of years, VSP has had a major upgrade of its surface triangulation and export capability. This has enhanced its ability to work with Cart3D, an inviscid, three dimensional fluid flow toolset. The combination of VSP and Cart3D allows performing inviscid CFD on complex geometries with relatively high productivity. This paper will illustrate the use of VSP with Cart3D through an example case of a complex propulsion-airframe integration (PAI) of an over-wing nacelle (OWN) airliner configuration.

Hahn, Andrew S.↗

Predicting nonequilibrium Green’s function dynamics and photoemission spectra via nonlinear integral operator learning

Understanding the dynamics of nonequilibrium quantum many-body systems is an important research topic in a wide range of fields across condensed matter physics, quantum optics, and high-energy physics. However, numerical studies of large-scale nonequilibrium phenomena in realistic materials face serious challenges due to intrinsic high-dimensionality of quantum many-body problems and the absence of time-invariance. The nonequilibrium properties of many-body systems can be described by the dynamics of the correlator, or the Green's function of the system, whose time evolution is given by a high-dimensional system of integro-differential equations, known as the Kadanoff–Baym equations (KBEs). The time-convolution term in KBEs, which needs to be recalculated at each time step, makes it difficult to perform long-time numerical simulation. In this paper, we develop an operator-learning framework based on recurrent neural networks (RNNs) to address this challenge. We utilize RNNs to learn the nonlinear mapping between Green's functions and convolution integrals in KBEs. By using the learned operators as a surrogate model in the KBE solver, we obtain a general machine-learning scheme for predicting the dynamics of nonequilibrium Green's functions. Besides significant savings per each time step, the new methodology reduces the temporal computational complexity from $O(N_t^3)$ to $O(N_t)$ where N t is the number of steps taken in a simulation, thereby making it possible to study large many-body problems which are currently infeasible with conventional KBE solvers. Through various numerical examples, we demonstrate the effectiveness of the operator-learning based approach in providing accurate predictions of physical observables such as the reduced density matrix and time-resolved photoemission spectra. Moreover, our framework exhibits clear numerical convergence and can be easily parallelized, thereby facilitating many possible further developments and applications.

97 MATHEMATICS AND COMPUTING↗

Design and Analysis of an Isokinetic Sampling Probe for Submicron Particle Measurements at High Altitude

An isokinetic dilution probe has been designed with the aid of computational fluid dynamics to sample sub-micron particles emitted from aviation combustion sources. The intended operational range includes standard day atmospheric conditions up to 40,000-ft. With dry nitrogen as the diluent, the probe is intended to minimize losses from particle microphysics and transport while rapidly quenching chemical kinetics. Initial results indicate that the Mach number ratio of the aerosol sample and dilution streams in the mixing region is an important factor for successful operation. Flow rate through the probe tip was found to be highly sensitive to the static pressure at the probe exit. Particle losses through the system were estimated to be on the order of 50% with minimal change in the overall particle size distribution apparent. Following design refinement, experimental testing and validation will be conducted in the Particle Aerosol Laboratory, a research facility located at the NASA Glenn Research Center to study the evolution of aviation emissions at lower stratospheric conditions. Particle size distributions and number densities from various combustion sources will be used to better understand particle-phase microphysics, plume chemistry, evolution to cirrus, and environmental impacts of aviation.

Heath, Christopher M.↗

Modeling Dust Production, Growth, and Destruction in Reionization-era Galaxies with the CROC Simulations. II. Predicting the Dust Content of High-redshift Galaxies

Abstract We model the interstellar dust content of the reionization era with a suite of cosmological, fluid-dynamical simulations of galaxies with stellar masses ranging from ∼10 5 to 10 9 M ⊙ in the first 1.2 Gyr of the Universe. We use a post-processing method that accounts for dust creation and destruction processes, allowing us to systematically vary the parameters of these processes to test whether dust-dependent observable quantities of galaxies at these epochs could be useful for placing constraints on dust physics. We then forward model observable properties of these galaxies to compare to existing data. We find that we are unable to simultaneously match existing observational constraints with any one set of model parameters. Specifically, the models that predict the largest dust masses D / Z ≳ 0.1 at z = 5—because of high assumed production yields and/or efficient growth via accretion in the interstellar medium—are preferred by constraints on total dust mass and infrared (IR) luminosities, but these models produce far too much attenuation in the ultraviolet (UV), preventing them from matching observations of β UV . To investigate this discrepancy, we analyze the relative spatial distribution of stars and dust as probed by IR and UV emission, which appear to exhibit overly symmetric morphologies compared to existing data, likely due to the limitations of the stellar feedback model used in the simulations. Our results indicate that the observable properties of the dust distribution in high redshift galaxies are a particularly strong test of stellar feedback.

79 ASTRONOMY AND ASTROPHYSICS↗

Classical dynamics of the antiferromagnetic Heisenberg spin ladder

We employ a classical limit grounded in SU(4) coherent states to investigate the temperature-dependent dynamical spin structure factor of the S = 1/2 ladder consisting of weakly coupled dimers. By comparing the outcomes of this classical approximation with density matrix renormalization group and exact diagonalization calculations in finite size ladders, we demonstrate that the classical dynamics offers an accurate approximation across the entire temperature range when the interdimer coupling is weak and a good approximation in the high temperature regime even when the interdimer coupling is strong. This agreement is achieved after appropriately rescaling the temperature axis and renormalizing expectation values to satisfy a quantum sum rule. Here, we anticipate the method will be particularly effective when applied to 2D and 3D lattices composed of weakly-coupled dimers, situations that remain challenging for alternative numerical methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ultra-high efficiency hydrogen production using a large-scale solid oxide electrolysis cell system

Efficient and cost-effective production of clean hydrogen is key to decarbonizing the production of hard-to-abate industries, such as chemicals, fuels, steel, cement and many other commodities that form the basis of modern societies. High-temperature steam electrolysis (HTSE) has recently become commercially available and offers opportunities for producing hydrogen at higher efficiency and lower cost than competing low temperature technologies. In this work, we report world record setting hydrogen production efficiency from large-scale prototype HTSE systems based on solid oxide electrolysis cell (SOEC) technology. Independent tests performed at Idaho National Laboratory (INL) employed a Bloom Energy 100 kW SOEC system to achieve a hydrogen production direct current specific electric energy consumption as low as 36.7 kWh per kilogram of hydrogen. Remarkably, similar high efficiencies in the range of 36–39 kW/kg-H2 were obtained over a wide range of hydrogen production rates and even during dynamic ramping as the hydrogen production and electric power consumption of the system were varied between 20 % and 100 % of nominal conditions. Furthermore, these test results validate previous projections that commercial SOEC systems can produce clean hydrogen at efficiencies approaching 100 % for less than 2 U S. dollars per kilogram when located near sources of inexpensive, low-grade heat and clean electricity.

08 HYDROGEN↗

NASA Tech Briefs, April 2007

Topics include: Wearable Environmental and Physiological Sensing Unit; Broadband Phase Retrieval for Image-Based Wavefront Sensing; Filter Function for Wavefront Sensing Over a Field of View; Iterative-Transform Phase Retrieval Using Adaptive Diversity; Wavefront Sensing With Switched Lenses for Defocus Diversity; Smooth Phase Interpolated Keying; Maintaining Stability During a Conducted-Ripple EMC Test; Photodiode Preamplifier for Laser Ranging With Weak Signals; Advanced High-Definition Video Cameras; Circuit for Full Charging of Series Lithium-Ion Cells; Analog Nonvolatile Computer Memory Circuits; JavaGenes Molecular Evolution; World Wind 3D Earth Viewing; Lithium Dinitramide as an Additive in Lithium Power Cells; Accounting for Uncertainties in Strengths of SiC MEMS Parts; Ion-Conducting Organic/Inorganic Polymers; MoO3 Cathodes for High-Temperature Lithium Thin-Film Cells; Counterrotating-Shoulder Mechanism for Friction Stir Welding; Strain Gauges Indicate Differential-CTE-Induced Failures; Antibodies Against Three Forms of Urokinase; Understanding and Counteracting Fatigue in Flight Crews; Active Correction of Aberrations of Low-Quality Telescope Optics; Dual-Beam Atom Laser Driven by Spinor Dynamics; Rugged, Tunable Extended-Cavity Diode Laser; Balloon for Long-Duration, High-Altitude Flight at Venus; and Wide-Temperature-Range Integrated Operational Amplifier.

Source record↗

Modeling graphene sheet growth and dynamical matrix calculations using molecular dynamics

Molecular dynamics (MD) has been an incredibly useful tool to model physical processes that were synthesized experimentally but not fully understood. MD, through the use of semi-empirical inter-atomic potentials, has allowed understanding of different physical processes in materials science. Yet as well as providing useful insights into materials science, molecular dynamics has a wider range of usability. In this report, I will be detailing how MD can be used to study graphene formation from a carbon liquid which requires high temperatures and pressures. Beyond this, I will describe the usefulness of MD for understanding the physics for phonon transport quantum sensors. To do this, MD was employed to determine the dynamical matrix by treating atoms as coupled oscillators. An accurate understanding of the dynamical matrix of a system is required to calculate the non-equilibrium Green’s function used to describe the phonon transport within phonon wave-guides. I found that, across multiple pressures and temperatures, randomly placed carbon atoms will show evidence of pent-first formation with semi-empirical models. Density functional theory (DFT), on the other hand, was too computationally expensive to use for full scale MD simulations, but we have the possibility of training a machine learned interatomic potential to approximate DFT for carbon in the environments being studied for pent-first graphene sheet formation.

36 MATERIALS SCIENCE↗