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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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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators Using Micro and Macro-Scale Modeling

Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.

Thermal Protection Systems↗
NASA NTRS1985

STS-51G Mission Highlights Resource Tape

The STS-51G flight crew, Commander Daniel C. Brandenstein, Pilot John O. Creighton, Mission Specialists Shannon W. Lucid, John M. Fabian, and Steven R Nagel, and Payload Specialists Patrick, Baudry, and Sultan Salman Al-Saud are seen performing pre-launch activities such as eating of the traditional breakfast, ride out to the launch pad, and crew suit-up for an early morning launch. Also, included are various panoramic views of Discovery on the pad. The main objective of this mission is to deploy three communication satellites. The satellites being deployed are MORE LOS-A, for Mexico; ARABSAT-A, for the Arab Satellite Communications Organization; and TELSTAR-3D, for AT&T. The crew also retrieve the SPARTAN-1 satellite. Scenes include the crew in the mess deck via video link with Mission Control Center in celebration of the 100th American in space. Al-Saud also spoke with his father in Saudi Arabia via video link. Views of certain experiments are also seen. Al-Saud is seen conducting the postural experiment, and Baudry is seen conducting the equilibrium experiments. Panoramic views of the Hawaiian Island Archipelago, and Wadi Habawnah, Saudi Arabia are also visible from the shuttle. Live footage ends with the re-entry of the vehicle into the Earth's Atmosphere, an early morning touchdown at Edwards Air Force Base and crew departure from the craft.

Source record↗
NASA NTRS1991

The boundary value problem of magnetotail equilibrium

The earth magnetotail equilibrium problem is examined by expressing it as a 2D boundary value problem for a prescribed tail boundary, which may be considered as an idealized magnetopause. A general solution of this problem is derived for the 2D case, where the dependence on the y coordinate and the presence of By are neglected. These solutions are further generalized by including the y dependence and an open magnetosphere. Then, a general solution of a 3D boundary problem is derived.

Birn, Joachim↗
NASA NTRS1991

Simulation of 3-D shear flows around a nozzle-afterbody at high speeds

3D, compressible, unsteady, Reynolds-averaged Navier-Stokes equations are presently solved by a finite-volume and alternating-direction-implicit method in order to simulate supersonic and hypersonic turbulent shear flows. The effect of turbulence is incorporated via a modified Baldwin-Lomax eddy viscosity model which reflects the influence of high-speed compressibility, multiple walls, near-wall vortices, and turbulent memory effects, as well as local equilibrium effects. Attention is given to the simulation of the flow around the nozzle-afterbody of a generic, scramjet-propelled hypersonic vehicle; computed pressure distributions are consonant with experimental surface and off-surface flow surveys.

Baysal, Oktay↗
NASA NTRS2020

Inverse Compton Cooling in the Coronae of Simulated Black Hole Accretion Flows

We present a formulation for a local cooling function to be employed in the diffuse, hot corona region of 3D GRMHD simulations of accreting black holes. This new cooling function calculates the cooling rate due to inverse Compton scattering by considering the relevant microphysics in each cell in the corona and approximating the radiation energy density and Compton temperature there by integrating over the thermal seed photon flux from the disk surface. The method either assumes ion and electron tem- peratures are equal (1T), or calculates them separately (2T) using an instantaneous equilibrium approach predicated on the actual relevant rate equations (Coulomb and Compton). The method is shown to be consistent with a more detailed ray-tracing calculation where the bulk of the cooling occurs, but is substantially less costly to per- form. As an example, we apply these methods to a harm3d simulation of a 10M⊙, non-spinning black hole, accreting at nominally 1% the Eddington value. Both 1T and 2T approaches lead to increased radiative efficiency and a larger fraction of total cooling in the corona as compared to the original target-temperature cooling function used by harm3d, especially in the 1T case. Time-averaged post-processing reveals that the continuum spectral observations predicted from these simulations are qualitatively similar to actual X-ray binary data, especially so for the 1T approach which yields a harder power-law component (Γ = 2.25) compared to the 2T version (Γ = 2.53).

Brooks E. Kinch↗
NASA NTRS1987

Ultraviolet Al III emission lines and the physics of the solar transition region

Two lines of the solar UV spectrum were identified as due to 3p-3d Al III transitions near 1612 A; the ratios of these lines to the 3s-3p Al III doublet near 1855 A were found to be very sensitive to temperature. Thus, the temperatures of formation of the Al III lines could be determined by using one of the line ratios in two quiet sun regions, a coronal hole, and an active region. The results were found to be consistent with expectations based on the assumption of ionization equilibrium for Al III. It is suggested that S III lines near 1350 A and 1200 A may also serve as a temperature diagnostic.

Doschek, G. A.↗
NASA NTRS2004

Atomic Data and Spectral Line Intensities for Ar XII

Electron impact collision strengths; energy levels; oscillator strengths and spontaneous radiative decay rates are calculated for Ar XII. The configurations used are 2s(exp 2)2p(exp 3), 2s2p(exp4), 2p(exp 5), 2s22p23s, 2s(exp 2)2p(exp 2)3p, and 2s(exp 2)2p(exp 2)3d giving rise to 72 fine-structure levels in intermediate coupling. Collision strengths are calculated at five incident energies: 35,70, 105, 140 and 175 Ry. They are complemented by Coulomb-Born limits towards infinite collision energy for forbidden transitions and line strengths for optically allowed transitions. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10(exp 8)-101(exp 14) cm(exp -3) at an electron temperature of log T(sub e)/K = 6.4, corresponding to maximum abundance of Ar XII. Relative spectral line intensities are calculated.

Eissner, W.↗
NASA NTRS2004

Atomic Data and Spectral Line Intensities for Ar XII

Electron impact collision strengths, energy levels, oscillator strengths and spontaneous radiative decay rates are calculated for Ar XII. The configurations used are 2s(sup 2)p(sup 3), 2s(sup 2)p(sup 4), 2p(sup 5), 2s(sup 2)2p(sup 2)3s, 2s(sup 2)2p(sup 2)3p, and 2s(sup 2)2p(sup 2)3d giving rise to 72 fine-structure levels in intermediate coupling. Collision strengths are calculated at five incident energies: 35, 70, 105, 140 and 175 Ry. They are complemented by Coulomb-Born limits towards infinite collision energy for forbidden transitions and line strengths for optically allowed transitions. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10(exp 8)-10(exp 14)/cm(exp 3) at an electron temperature of log T(sub e)/K = 6.4, corresponding to maximum abundance of AR-XII. Relative spectral line intensities are calculated.

Eissner, W.↗
NASA NTRS2002

Phase-Field Methods for Structure Evolution in Sheared Multiphase Systems

A homogeneous disordered phase separates into ordered structures when quenched into a broken-symmetry phase. The competition of broken-symmetry phases to select an equilibrium state may be studied in terms of coarse-grained order parameters described by a suitable Landau free-energy function. A network of equilibrium-phase domains develops on quenching and coarsens with time with a topology that may be controlled by shear. We use three-dimensional simulations, in which time-dependent models for conserved-order parameters coupled to Navier-Stokes fluid models are solved, to investigate the evolution of such domains, e.g. spinodal decompositions of polymeric materials under shear. The numerical problems are formidable because of the strong nonlinearities inherent in the coupled model, and these are amongst the first 3D calculations undertaken. In linear shear fields we find stable nanostrings, also recently seen in experiments. The affinity of the ordered phases to boundaries plays a role in the form of the structures that develop, with stacked plate-like phase distributions emerging under certain conditions. Such methods appear quite promising for design and analysis of multiphase and complex fluid formulations. The behavior of foams in such conditions is of particular interest in microgravity environments. Additional information can be found in the original extended abstract.

Badalassi, Vittorio↗
NASA NTRS1990

Numerical solution of 3D Navier-Stokes equations with upwind implicit schemes

An upwind MUSCL type implicit scheme for the three-dimensional Navier-Stokes equations is presented. Comparison between different approximate Riemann solvers (Roe and Osher) are performed and the influence of the reconstructions schemes on the accuracy of the solution as well as on the convergence of the method is studied. A new limiter is introduced in order to remove the problems usually associated with non-linear upwind schemes. The implementation of a diagonal upwind implicit operator for the three-dimensional Navier-Stokes equations is also discussed. Finally the turbulence modeling is assessed. Good prediction of separated flows are demonstrated if a non-equilibrium turbulence model is used.

Marx, Yves P.↗
NASA NTRS1993

Three-dimensional magnetotail equilibria by numerical relaxation techniques

Consideration is given to a numerical method to iteratively approach 3D magnetostatic force equilibria, with modeling emphasis on the development of a suitable model of the earth's magnetotail, including a portion of the inner magnetosphere, i.e., on models which violate the 'tail approximation' commonly employed in analytical models. The numerical approach is compared to methods developed for laboratory plasma physics. The method is applied to the magnetotail outside of 10 R(E), using Tsyganenko's (1987) model for the quiet magnetosphere as an initial condition. The changes of the magnetic field necessary to yield an equilibrium configuration and the resulting distribution of the self-consistently derived pressure are discussed. It is shown that a self-consistent magnetotail equilibrium based on a close approximation to Tsyganenko's requires a region 1 type current system, which is not present in the initial configuration.

Hesse, Michael↗
NASA NTRS1974

Improved curve fits for the thermodynamic properties of equilibrium air suitable for numerical computation using time-dependent or shock-capturing methods, part 1

Simplified curve fits for the thermodynamic properties of equilibrium air were devised for use in either the time-dependent or shock-capturing computational methods. For the time-dependent method, curve fits were developed for p = p(e, rho), a = a(e, rho), and T = T(e, rho). For the shock-capturing method, curve fits were developed for h = h(p, rho) and T = T(p, rho). The ranges of validity for these curves fits were for temperatures up to 25,000 K and densities from 10 to the minus 7th power to 10 to the 3d power amagats. These approximate curve fits are considered particularly useful when employed on advanced computers such as the Burroughs ILLIAC 4 or the CDC STAR.

Tannehill, J. C.↗
NASA NTRS1994

Analysis of the 3d(sup 6)4s((sup 6)D)4f-5g supermultiplet of Fe I in laboratory and solar infrared spectra

The combined laboratory and solar analysis of the highly excited subconfigurations 3d(sup 6)4s((sup 6)D)4f and 3d(sup 6)4s((sup 6)D)5g of Fe I has allowed us to classify 87 lines of the 4f-5g supermultiplet in the spectral region 2545-2585 per cm. The level structure of these JK-coupled configurations is predicted by semiempirical calculations and the quardrupolic approximation. Semiempirical gf-values have been calculated and are compared to gf-values derived from the solar spectrum. The solar analysis has shown that these lines, which should be much less sensitive than lower excitation lines to departures from Local Thermal Equilibrium (LTE) and to temperature uncertanties, lead to a solar abundance of iron which is consistent with the meteoritic value (A(sub Fe) = 7.51).

Johansson, S.↗
NASA NTRS2006

Geometrically Nonlinear Static Analysis of 3D Trusses Using the Arc-Length Method

Rigorous analysis of geometrically nonlinear structures demands creating mathematical models that accurately include loading and support conditions and, more importantly, model the stiffness and response of the structure. Nonlinear geometric structures often contain critical points with snap-through behavior during the response to large loads. Studying the post buckling behavior during a portion of a structure's unstable load history may be necessary. Primary structures made from ductile materials will stretch enough prior to failure for loads to redistribute producing sudden and often catastrophic collapses that are difficult to predict. The responses and redistribution of the internal loads during collapses and possible sharp snap-back of structures have frequently caused numerical difficulties in analysis procedures. The presence of critical stability points and unstable equilibrium paths are major difficulties that numerical solutions must pass to fully capture the nonlinear response. Some hurdles still exist in finding nonlinear responses of structures under large geometric changes. Predicting snap-through and snap-back of certain structures has been difficult and time consuming. Also difficult is finding how much load a structure may still carry safely. Highly geometrically nonlinear responses of structures exhibiting complex snap-back behavior are presented and analyzed with a finite element approach. The arc-length method will be reviewed and shown to predict the proper response and follow the nonlinear equilibrium path through limit points.

Hrinda, Glenn A.↗
NASA NTRS2002

Surface Processes of Faceted Growth

Atomic force microscopy and high precision optical interferometry allow to analyze the processes that are in the core of our present understanding of faceted crystal growth. Some of these processes will be reviewed. Recent experiments suggest that the Gibbs-Thomson Law (GTL) may not be applicable to the weakly fluctuating strongly polygonized steps, with low kink density. Propagation rate of a straight short step segment changes with the segment length much steeper than predicted by GTL. If the step fluctuations are still well developed, the typical transition length may be determined just by the radius of rounded comers of the polygonized step. If fluctuations do not have enough time to develop, the kinetic effects may be essential. Indeed, 'communications' between comers of a short straight step segment may occur and, thus, the GTL may be implemented only via kink exchange. E.g., dissolutions of this short segment at macroscopic equilibrium occurs as follows: The kinks are split from one comer as a result of fluctuations, and annihilate with kinks of the opposite sign generated by another comer. Similarly, an exchange via chain of kinks on a rough step is the mechanism to implement the GT Law. If there is a supersaturation with respect to a large crystal, the kinks not only diffuse along the step, but move back the generating comers. This 'wind' prevents communication between the comers and places upper limit supersaturation only below which GTL is applicable. Steps replace kinks in the 3D case, though, of course, another dimensionality brings about another physics. Another specific problem to think about is if fluctuations are always fast enough to provide enough kinks for linear dependence of step rate on supersaturation. Increasing azimuthal polygonization of growth hillocks is a sign of insufficient fluctuation rate. Morphological stability of vicinal faces is usually considered on the basis of mutually parallel steps. Azimuthal anisotropy and interlacing of step bunches inducing the well known bunch splitting is another challenge. Among other challenging problems are: existence of surface diffusion on the crystal/so1ution interface, step interaction in solutions, achievement of step flow modes from liquids, impurity effects. New phenomena essential in biomacromolecular crystallization is another interesting area.

Chernov, A.↗
NASA NTRSDate not supplied

Open-source Numerical Modeling of Solidification Cracking Susceptibility: Application to Refractory Alloy Systems

Introduction. Alloys such as aluminum, nickel-base, and austenitic stainless steels are susceptible to solidification cracking during welding and 3D printing. Compositional optimization is one method used to effectively mitigate solidification cracking of those alloy systems. With the surge in hypersonic and in-space propulsion activities, refractory metals (Nb, Mo, Ta, W, and Re) and their alloy derivatives are increasing in importance due to their extreme high melting point and retention of high-temperature strength; however, their chemistry was most typically optimized to promote ductility during mechanical operations such as drawing and forming. Welding of such alloys has been a challenge due to a number of issues including solidification cracking, atmospheric contamination (O, C, and N), as well as a shift in ductile-to-brittle transition to higher temperature following grain growth induced by welding. Compositional optimization of refractory alloys for solidification cracking resistance in particular is desirable as their usage increases with the advent of advanced manufacturing methods such as 3D printing. This work evaluates the effect of compositional variation in refractory metal systems on the solidification cracking susceptibility with the goals of optimizing existing alloys and joining process techniques, and formulating new alloys with increased solidification cracking resistance. Experimental Procedures. A python code was developed in a Jupyter notebook environment (Michael and Sowards, 2023) to facilitate the calculation of crack susceptibility index proposed by Kou (2015). Composition is entered as a single point, or as a 1-D or 2-D array. The notebook calls pycalphad (Otis and Liu, 2017 and Bocklund et al, 2020) to calculate the evolution of fraction solid as a function of temperature (under either Scheil or equilibrium assumptions) and then evaluates steepness of the fraction solid curve near the terminal stage of solidification to predict solidification cracking resistance. Open source thermodynamic databases available at online repositories are used (van de Walle). The process is setup in an automated fashion to generate plots that show variation in solidification cracking susceptibility according to composition on 1-D line plots or 2-D contour plots. The Jupyter notebook and crack susceptibility algorithm was also integrated with a widely used commercial CALPHAD code for validation and alloy exploration. Results and Discussion. The crack susceptibility model was first validated against a series of refractory alloy compositions evaluated in past work which utilized a specialized Varestraint test built inside a vacuum chamber environment (Lessman and Gold, 1971). The alloys tested in the Varestraint apparatus included T-111 (Ta-8W-2Hf), ASTAR-811C (Ta-8W-1Re-0.7Hf-0.025C), FS-85 (Nb-27Ta-10W-1Zr), T-222 (Ta-9.6W-2.4Hf-0.01C), Ta-10W, B-66 (Nb-5Mo-5V-1Zr), and SCb-291 (Nb-10W-10Ta). The initial test of the model showed a strong correlation with empirical Varestraint data, i.e., a Spearman rank correlation between model predictions and hot cracking measurements was observed to be greater than 0.8. Following the validation, a set of refractory metal binary mixtures was investigated to evaluate sensitivity of Nb, Mo, W, and Ta to C, N, and O content. A series of plots were produced that suggest ppmw ranges of C, N, and O where solidification cracking increases significantly and reaches a maximum. Also comparative ranking of each primary refractory metal to each interstitial was produced. For example C produces greater cracking response in Mo whereas O produces greater cracking response in Ta and Nb. Such compositional values have utility in setting limits on pickup of these interstitial elements during welding and printing rather than using a one-size-fits-all approach. Furthermore, the results have use in determining additive powder recycling requirements, which is especially pertinent for refractory metal powders due to their high cost compared to conventional alloys. Another application created thousands of hypothetical alloys within the nominal specified composition range of two widely used refractory alloys C103 (Nb-10Hf-1Ti) and TZM (Mo-0.5Ti-0.1Zr). The cracking index was calculated for the alloys and results were fed into machine learning regression techniques including Multiple Linear Regression, Ridge Regression, and Lasso Regression to determine relative potency each alloying element had on computed solidification cracking index. A series of linear equations were produced that relate composition of C103 and TZM to solidification cracking index. The crack susceptibility of C103 for example is described by an equation of the form: cracking index ~ O + 0.667*C + 0.635*N + 0.00037*Ta – 0.0008*Hf (in wt.%) From that equation, it is clear that O has strong propensity to induce solidification cracking. Interestingly, Hf is shown to reduce calculated cracking response. Finally, realizing the potential of this method to discover new refractory alloy formulations across the period table that have low solidification cracking sensitivity, the code was applied to new untested alloy systems including W-Zr-C, W-Ta-C, and others. Conclusions. In summary, an open source numerical method has been developed using Python code to calculate Kou’s crack susceptibility index. The method was applied to refractory metals which are inherently difficult to study from a weldability testing standpoint since inert shielding gas is not sufficient and welding is typically done in vacuum, especially in light of findings presented here where oxygen has profound influence on solidification cracking. This work revealed the effect of compositional variations on a series of refractory metals and showed the framework defined here will be useful in 1) the development of new alloys that have improved weldability and 3D printability, 2) placing compositional limits on existing alloys, and 3) ensuring adequate controls of manufacturing processes such as 3D printing where powder reuse is critical. Keywords. pycalphad; Python; refractory metals; solidification cracking. References. B. Bocklund et. al. (2020) http://doi.org/10.5281/zenodo.3630657. S. Kou. (2015) https://doi.org/10.1016/j.actamat.2015.01.034. G.G. Lessmann and R.E. Gold. Welding Journal, issue 1, pp. 1-s – 8-s (1971). F.N. Michael and J.W. Sowards. NASA/TM-20230002218 (2023). R. Otis and Z.-K. Liu. (2017) http://doi.org/10.5334/jors.140. A. Van de Wallle et. al. (2018) https://doi.org/10.1016/j.calphad.2018.04.003.

pycalphad↗
NASA NTRSDate not supplied

Wall-modeled LES of the Three-dimensional Speed Bump Experiment

We evaluate the performance of wall-modeled large eddy simulation (WMLES) in predicting smooth-body turbulent flow separation for a three-dimensional Gaussian-shaped speed bump geometry. The Reynolds number based on the bump length is 2 million, and an unstructured compressible finite-volume solver is used with an equilibrium wall model and dynamic subgrid scale model. Spanwise periodic simulations of the centerline two-dimensional bump were used to assess grid resolution requirements, and resolving the thin internal layer in the accelerating region was found to be necessary to correctly capture the downstream separated flow region. Based on these insights, an optimized grid that was smaller by a factor of two provided comparable accuracy to a finer grid that has been used by us and other researchers in past studies. Using insights gained from the spanwise periodic simulation, an unstructured polyhderal grid with about 250 million cells was used for the three-dimensional (3D) configuration with inviscid tunnel side and top walls. Detailed comparisons of wall skin-friction coefficient, wall pressure, velocity and turbulent stresses with available experimental data indicated excellent agreement. While the low-Reynolds Number Spalart-Allmaras RANS model with rotation/curvature correction gave qualitatively good agreement with experiments, WMLES showed significantly more accurate quantitative predictions of the flowfield. The 3D WMLES showed good agreement with experiments in the separated region, and the centerplane results indicated a different separation topology compared to the spanwise periodic simulation.

Computational Fluid Dynamics↗
NASA NTRS1991

Application of program LAURA to thermochemical nonequilibrium flow through a nozzle

Program LAURA (Langley Aerothermodynamic Upwind Relaxation Algorithm) is an upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3D viscous hypersonic flows in chemical and thermal nonequilibrium. The algorithm is derived using a finite-volume formulation in which the inviscid components of flux across cell walls are described with a modified Roe's averaging and with second-order corrections based on Yee's Symmetric Total Variation Diminishing scheme. The code has been applied to Problem 8.2 of this workshop for the case of thermochemical nonequilibrium flow through a nozzle. Chemical reaction rates are defined with the model of Park (1987). Thermal nonequilibrium is modeled using a two-temperature approximation in which the vibrational energies of all molecules are assumed to be in equilibrium at a single temperature which is generally different from the translational-rotational temperature. Two grids were used to define the flow for the original problem, with a stagnation temperature of 6500 K. A third case with a stagnation temperature of 10,000 K is also presented. The solution domain includes the converging nozzle, subsonic flow domain in which the gas is substantially in thermochemical equilibrium and the diverging nozzle, hypersonic flow domain in which the gas is substantially in thermochemical nonequilibrium.

Gnoffo, Peter A.↗