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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 OSTI2023

Architector for high-throughput cross-periodic table 3D complex building

Abstract Rare-earth and actinide complexes are critical for a wealth of clean-energy applications. Three-dimensional (3D) structural generation and prediction for these organometallic systems remains a challenge, limiting opportunities for computational chemical discovery. Here, we introduce Architector , a high-throughput in-silico synthesis code for s-, p-, d-, and f-block mononuclear organometallic complexes capable of capturing nearly the full diversity of the known experimental chemical space. Beyond known chemical space, Architector performs in-silico design of new complexes including any chemically accessible metal-ligand combinations. Architector leverages metal-center symmetry, interatomic force fields, and tight binding methods to build many possible 3D conformers from minimal 2D inputs including metal oxidation and spin state. Over a set of more than 6,000 x-ray diffraction (XRD)-determined complexes spanning the periodic table, we demonstrate quantitative agreement between Architector-predicted and experimentally observed structures. Further, we demonstrate out-of-the box conformer generation and energetic rankings of non-minimum energy conformers produced from Architector , which are critical for exploring potential energy surfaces and training force fields. Overall, Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.

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

Towards Multilayered Coatings of 304L Stainless Steels Using Friction Surfacing

Abstract The objective of this work is to study friction surfacing process variability when depositing multilayered coatings. This is motivated by the need to maintain deposition quality when depositing multiple friction surfacing layers, whether for repair, remanufacturing, or new part creation using this solid-state metal additive manufacturing process. In this study, 10-mm-diameter 304L stainless steel rods were used to create up to five layers of 40-mm-long coatings on 304L substrates using a constant set of processing parameters. In-process measurement of forces (X, Y, Z), flash temperature, flash geometry, layer temperature, and post-process measurement of layer geometry, microhardness, and microstructure are used to characterize changes in the friction surfacing process as more layers are deposited. It was observed that with increasing layers: layer thickness and deposition efficiency decrease; offsetting of the deposition towards the retreating side, and temperature in the deposited layer increase; and flash temperature does not change. Metallurgical analyses of friction-surfaced cross-sections revealed fine grain refinement and transformation of base austenite to strain-induced martensite. It is concluded that the process parameters need to be adjusted even after the second or third layer is deposited, corrections to the tool path are required after a couple of layers, and the measured process forces, as well as deposited layer temperature, may be useful to monitor and control the process and its instabilities.

Engineering↗
DOE OSTI2022

Design principles for heterointerfacial alloying kinetics at metallic anodes in rechargeable batteries

How surface chemistry influences reactions occurring thereupon has been a long-standing question of broad scientific and technological interest. Here, we consider the relation between the surface chemistry at interfaces and the reversibility of electrochemical transformations at rechargeable battery electrodes. Using Zn as a model system, we report that a moderate strength of chemical interaction between the deposit and the substrate—neither too weak nor too strong—enables highest reversibility and stability of the plating/stripping redox processes. Focused ion beam and electron microscopy were used to directly probe the morphology, chemistry, and crystallography of heterointerfaces of distinct natures. Analogous to the empirical Sabatier principle for chemical heterogeneous catalysis, our findings arise from competing interfacial processes. Using full batteries with stringent negative electrode–to–positive electrode capacity (N:P) ratios, we show that such knowledge provides a powerful tool for designing key materials in highly reversible battery systems based on Earth-abundant, low-cost metals such as Zn and Na.

25 ENERGY STORAGE↗
NASA NTRS1975

Early detection of disease program: Evaluation of the cellular immune response

Surfaces of normal, cultured, and mitogen-stimulated mouse lymphoid cells were examined by scanning electron microscopy (SEM). Lymphocytes with smooth, highly villous and intermediate surfaces were observed in cell suspensions from both spleens and thymuses of normal mice and from spleens of congenitally athymic (nude) mice. Several strain-specific surface features were noted, including the spine-like appearance of microvilli on C57B1/6 lymphocytes. Although thymus cell suspensions contained somewhat more smooth cells than did spleen cell preparations, lymphocyte derivation could not be inferred from SEM examination. Studies of cells stimulated with mitogenic agents for thymus-derived lymphocytes (concanavalin A) or for bone marrow-derived lymphocytes (lipopolysaccharide) suggested that, in the mouse, development of a complex villous surface is a general concomitant of lymphocyte activation and transformation.

Criswell, B. S.↗
NASA NTRS1981

An alternating-direction implicit algorithm for unsteady potential flow

An implicit finite-difference scheme is presented for the efficient computation of unsteady potential flow about airfoils. The formulation uses density and the velocity potential as dependent variables and is cast in conservation form to assure the theoretically correct determination of shockwave location and speed. To enable boundary conditions to be imposed directly on the airfoil surface, a time-varying sheared-rectilinear coordinate transformation is employed. Calculated time-history solutions on a pulsating airfoil are compared with the results of other unsteady transonic codes, including a previous method of the authors. The present method is demonstrated to be unconditionally stable and to give accurate solutions with sharply resolved shocks.

Chipman, R.↗
NASA NTRS1982

Gas-Jet Levitation Furnace

Gas jet levitates solid and viscous liquid spheroids at high temperatures in new contactless processing system. System can be used to observe high temperature transformations (for example, crystallization without contact with another solid surface) or in containerless studies to eliminate contamination by crucible.

Ethridge, E. C.↗
NASA NTRS1981

Glass shell manufacturing in space

Highly-uniform, hollow glass spheres (shells), which are used for inertial confinement fusion targets, were formed from metal-organic gel powder feedstock in a vertical furnace. As a result of the rapid pyrolysis caused by the furnace, the gel is transformed to a shell in five distinct stages: (a) surface closure of the porous gel; (b) generation of a closed-cell foam structure in the gel; (c) spheridization of the gel and further expansion of the foam; (d) coalescence of the closed-cell foam to a single-void shell; and (e) fining of the glass shell. The heat transfer from the furnace to the falling gel particle was modeled to determine the effective heating rate of the gel. The model predicts the temperature history for a particle as a function of mass, dimensions, specific heat, and absorptance as well as furnace temperature profile and thermal conductivity of the furnace gas. A model was developed that predicts the gravity-induced degradation of shell concentricity in falling molten shells as a function of shell characteristics and time.

Downs, R. L.↗
NASA NTRS1984

Finite-difference fluid dynamics computer mathematical models for the design and interpretation of experiments for space flight

Numerical methods are used to design a spherical baroclinic flow model experiment of the large scale atmosphere flow for Spacelab. The dielectric simulation of radial gravity is only dominant in a low gravity environment. Computer codes are developed to study the processes at work in crystal growing systems which are also candidates for space flight. Crystalline materials rarely achieve their potential properties because of imperfections and component concentration variations. Thermosolutal convection in the liquid melt can be the cause of these imperfections. Such convection is suppressed in a low gravity environment. Two and three dimensional finite difference codes are being used for this work. Nonuniform meshes and implicit iterative methods are used. The iterative method for steady solutions is based on time stepping but has the options of different time steps for velocity and temperature and of a time step varying smoothly with position according to specified powers of the mesh spacings. This allows for more rapid convergence. The code being developed for the crystal growth studies allows for growth of the crystal as the solid-liquid interface. The moving interface is followed using finite differences; shape variations are permitted. For convenience in applying finite differences in the solid and liquid, a time dependent coordinate transformation is used to make this interface a coordinate surface.

Roberts, G. O.↗
NASA NTRS1986

Constraints on lithospheric structure from satellite potential field data: Africa and Asia. Analysis and interpretation of MAGSAT anomalies over North Africa

Crustal anomaly detection with MAGSAT data is frustrated by the inherent resolving power of the data and by contamination from the external and core fields. The quality of the data might be tested by modeling specific tectonic features which produce anomalies that fall within the proposed resolution and crustal amplitude capabilities of the MAGSAT fields. To test this hypothesis, the north African hotspots associated with Ahaggar, Tibestia and Darfur have been modeled as magnetic induction anomalies due solely to shallower depth to the Curie isotherm surface beneath these features. The MAGSAT data were reduced by subtracting the external and core fields to isolate the scalar and vertical component crustal signals. The predicted model magnetic signal arising from the surface topography of the uplift and the Curie isotherm surface was calculated at MAGSAT altitudes by the Fourier transform technique modified to allow for variable magnetization. In summary it is suggested that the region beneath Ahaggar is associated with a strong thermal anomaly and the predicted anomaly best fits the associated MAGSAT anomaly if the African plate is moving in a northeasterly direction.

Phillips, R. J.↗
NASA NTRS1986

Turbulence in a convective marine atmospheric boundary layer

The structure and kinetic energy budget of turbulence in the convective marine atmospheric boundary layer as observed by aircraft during a cold air outbreak have been studied using mixed layer scaling. The results are significantly different from those of previous studies under conditions closer to free convection. The normalized turbulent kinetic energy and turbulent transport are about twice those found during the Air Mass Transformation Experiment (AMTEX). This implies that for a given surface heating the present case is dynamically more active. The difference is mainly due to the greater importance of wind shear in the present case. This case is closer to the roll vortex regime, whereas AMTEX observed mesoscale cellular convection which is closer to free convection. Shear generation is found to provide a significant energy source, in addition to buoyancy production, to maintain a larger normalized turbulent kinetic energy and to balance a larger normalized dissipation. The interaction between turbulent pressure and divergence (i.e., pressure scrambling) is also found to transfer energy from the vertical to the horizontal components, and is expected to be stronger in roll vortices than in m esoscale cells. The sensible heat flux is found to fit well with a linear vertical profile in a clear or subcloud planetary boundary layer (PBL), in good agreement with the results of Lenschow et al., (1980). The heat flux ratio between the PBL top and the surface, derived from the linear fitted curve, is approximately -0.14, in good agreement with that derived from the lidar data for the same case. Near the PBL top, the heat flux profiles are consistent with those of Deardoff (1979) and Deardorff et al. (1980).

Chou, S.-H.↗
NASA NTRS1991

Effects of long-duration exposure on optical system components

The optical materials and UV detectors experiment (SOO50-1) was a set of 18 optical windows, filters, and ultraviolet detectors. The optical specimens were all retrieved in excellent condition. No delamination or blistering of the filters occurred. No discoloration of the optical window materials occurred, but the MgF2 window did experience roughing. The most notable degradation of the optics were the deposition of an organic film on the exposed surfaces. The film absorption was measured using a Fourier transform infrared spectrometer and a UV spectrometer. The 6 percent absorption at 3.4 microns corresponds to about 100 mgm/sq ft of organic film. The UV absorption was almost 100 percent at 200 nm and about 50 percent at 380 nm.

Harvey, Gale A.↗
NASA NTRS1992

Effects of long-duration exposure on optical system components

The optical materials and UV detectors experiment (SOO50-1) was a set of 15 optical windows, filters, and ultraviolet detectors. The optical specimens were all retrieved in excellent condition. No discoloration of the bulk optical window materials occurred, but the optical windows did experience several types of contamination. The most notable degradation of the optics were the deposition of an organic film on both surfaces. The films' absorptions were measured using a Fourier Transform Infrared Spectrometer and UV spectrometers. The UV absorptions were almost 100 percent at 200 nm and about 50 percent at 380 nm.

Gale A Harvey↗
NASA NTRS1999

An Experimental Study of a Stitched Composite with a Notch Subjected to Combined Bending and Tension Loading

A series of tests was conducted to measure the strength of stitched carbon/epoxy composites containing through-thickness damage in the form of a crack-like notch. The specimens were subjected to three types of loading: pure bending, pure tension, and combined bending and tension loads. Measurements of applied loads, strains near crack tips, and crack opening displacements (COD) were monitored in all tests. The transverse displacement at the center of the specimen was measured using a Linear Variable Differential Transformer (LVDT). The experimental data showed that the outer surface of the pure tension specimen failed at approximately 6,000 microstrain, while in combined bending and tension loads the measured tensile strains reached 10,000 microstrain.

Palmer, Susan O.↗
NASA NTRS2000

Observations and Modeling of the Transient General Circulation of the North Pacific Basin

Because of recent progress in satellite altimetry and numerical modeling and the accumulation and archiving of long records of hydrographic and meteorological variables, it is becoming feasible to describe and understand the transient general circulation of the ocean (i.e., variations with spatial scales larger than a few hundred kilometers and time scales of seasonal and longer-beyond the mesoscale). We have carried out various studies in investigation of the transient general circulation of the Pacific Ocean from a coordinated analysis of satellite altimeter data, historical hydrographic gauge data, scatterometer wind observations, reanalyzed operational wind fields, and a variety of ocean circulation models. Broadly stated, our goal was to achieve a phenomenological catalogue of different possible types of large-scale, low-frequency variability, as a context for understanding the observational record. The approach is to identify the simplest possible model from which particular observed phenomena can be isolated and understood dynamically and then to determine how well these dynamical processes are represented in more complex Oceanic General Circulation Models (OGCMs). Research results have been obtained on Rossby wave propagation and transformation, oceanic intrinsic low-frequency variability, effects of surface gravity waves, pacific data analyses, OGCM formulation and developments, and OGCM simulations of forced variability.

McWilliams, James C.↗
NASA NTRS2003

Two Paths from the Same Place: Task Driven and Human Centered Evolution of a Group Information Surface

This is the tale of two different implementations of a collaborative information tool, that started from the same design source. The Blueboard, developed at IBM Research, is a tool for groups to use in exchanging information in a lightweight, informal collaborative way. It began as a large display surface for walk-by use in a corporate setting and has evolved in response to task demands and user needs. At NASA, the MERBoard is being designed to support surface operations for the upcoming Mars Exploration Rover Missions. The MERBoard is a tool that was inspired by the Blueboard design, extending this design to support the collaboration requirements for viewing, annotating, linking and distributing information for the science and engineering teams that will operate two rovers on the surface of Mars. The ways in which each group transformed the system reflects not only technical requirements, but also the needs of users in each setting and embedding of the system within the larger socio-technical environment. Lessons about how task requirements, information flow requirements and work practice drive the evolution of a system are illustrated.

Russell, Daniel M.↗
NASA NTRS2005

Analysis of Black Bearing Balls from a Space Shuttle Body Flap Actuator

A significantly deteriorated ball bearing mechanism from a body flap actuator on Space Shuttle OV-103 was disassembled and the balls submitted for analysis in conjunction with Return to Flight activities. The OV-103 balls, referred to as the "black balls", were subjected to X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FT-IR) and Raman micro spectroscopy, surface profilometry, and optical and electron microscopy. The spectroscopic results in combination with microscopy analysis allowed a determination of the lubricant degradation pathway. The chemical attack mechanism does not adequately explain the unique visual appearance of the black balls. Numerous efforts have unsuccessfully focused on duplication of the phenomena causing this unique surface structure and appearance of the black balls. Further detail will be presented supporting these conclusions along with plausible explanations of the unique black appearance to the balls.

Sovinski, Marjorie F.↗
NASA NTRS2018

Dynamic Modeling using Output-Error Parameter Estimation based on Frequency Responses Estimated with Multisine Inputs

A method is developed for estimating model parameters, such as nondimensional stability and control derivatives, by fitting transfer function or state-space models to empirical frequency response data using the output-error approach. The frequency response data were computed using Fourier transforms of measured input and output data. The control surfaces were excited with periodic multisine inputs which facilitated time-ecient estimation of multiple-input multiple-output frequency responses. The method was applied to lateral data from a nonlinear flight dynamics simulation of the F-16 aircraft, and to longitudinal data from multiple repeated flight test maneuvers of the NASA T-2 subscale aircraft. Results using simulation data showed the frequency response method compared well to other standard methods for parameter estimation. In addition to including all the available inputs, outputs, and harmonic frequencies in the estimation, relatively small subsets of the measured data could also be used to focus on identifying specific parts of the model. Results from flight test data showed that parameter estimates and uncertainties determined from repeated maneuvers were accurate and in statistical agreement with each other.

Grauer, Jared A.↗
NASA NTRS2020

An Introduction to the NASA GMAO Coupled Atmosphere-Ocean System - GEOS-S2S Version 3

Recently NASA's Global Modeling and Assimilation Office (GMAO) has developed a new Subseasonal to Seasonal Prediction system Version 3 (GEOS-S2S-3). This upgrade replaces the GEOS-S2S-2 which is NASA's current contribution to the North American Multi-Model Experiment seasonal prediction project (Kirtman et al., 2014). The main improvements for our S2S-3 system include 1) a higher resolution MOM5 (Griffies et al., 2005) ocean model (now 0.25o x 0.25o x 50 layers), 2) an improved atmospheric/ocean interface layer (Akella and Suarez, 2018), and 3) assimilation of a long-track satellite salinity into the ocean model (Hackert et al, 2019). Atmospheric forcing is provided by the NASA MERRA-2 reanalysis (Gelaro et al., 2017). Initialization for the ocean relies on the GMAO ocean reanalysis system which assimilates all available in situ temperature and salinity, satellite sea surface salinity, and sea level using the Local Ensemble Transform Kalman Filter (LETKF) implementation of (Penny et al., 2013) on a 5 day assimilation cycle with 20 fixed ensemble members.In this presentation, we will authenticate our new S2S-3 ocean reanalysis using standard GODAE validation metrics. For example, we will compare gridded fields of mean and standard deviation of the ocean reanalysis versus observed fields. We will show correlation/RMS of model versus observations and temperature and salinity mean profiles for the various basins and latitude bands. Basin-scale volume transports, such as the Atlantic Meridional Overturning Circulation and the Indonesian Throughflow will be validated. Equatorial ocean waves will be compared by decomposing sea level into Kelvin and Rossby components. For each of these metrics, we plan to validate the results and then compare our new S2S-3 against the current production version, S2S-2. Finally, we will compare 9-month seasonal forecasts initialized from these two systems for the tropical Pacific NINO3.4 region over the period 1981-present.

Molod, Andrea↗