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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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The ALMA (axi-symmetrical lateral momentum analyzer) program is concerned with the computation of two dimensional coaxial jets with large lateral pressure gradients. The jets may be free or confined, laminar or turbulent, reacting or non-reacting. Reaction chemistry is equilibrium.
Non-neutral ionized chemical equilibrium subroutine for use with general viscous shock layer program
A computer program was developed to describe the performance of ramjet and scramjet cycles. The program performs one dimensional calculations of the equilibrium, real-gas internal flow properties of the engine. The program can be used for the following: (1) preliminary design calculation and (2) design analysis of internal flow properties corresponding to stipulated flow areas. Only the combustion of hydrogen in air is considered in this case.
Stimuli-responsive “smart” polymers have generated significant interest for introducing dynamic control into the properties of antifouling coatings, smart membranes, switchable adhesives and cell manipulation substrates. Switchable surface morphologies formed by confining stimuli-responsive gels to topographically structured substrates have shown potential for a variety of interfacial applications. Beyond patterning the equilibrium swelling behavior of gels, subjecting stimuli-responsive gels to topographical confinement could also introduce spatial gradients in the various timescales associated with gel deformation, giving rise to novel non-equilibrium morphologies. In this work, we show how by curing poly(N-isopropylacrylamide) (pNIPAAm)-based gel under confinement to a rigid, bumpy substrate, we can not only induce the surface curvature to invert with temperature, but also program the transient, non-equilibrium morphologies that emerge during the inversion process through changing the heating path. Finite element simulations show that the emergence of these transient morphologies is correlated with confinement-induced gradients in polymer concentration and position-dependent hydrostatic pressure within the gel. To illustrate the relevance of such morphologies in interfacial applications, we show how they enable us to control the gravity-induced assembly of colloidal particles and microalgae. Finally, we show how more complex arrangements in particle assembly can be created through controlling the thickness of the temperature-responsive gel over the bumps. Patterning stimuli-responsive gels on topographically-structured surfaces not only enables switching between two invertible topographies, but could also create opportunities for stimuli ramp-dependent control over the local curvature of the surface and emergence of unique transient morphologies. Harnessing these features could have potential in the design of multifunctional, actuatable materials for switchable adhesion, antifouling, cell manipulation, and liquid and particle transport surfaces.
TAB II computer program provides values of thermodynamic and transport properties of hydrogen in useful format. Also, provides values for equilibrium hydrogen and para-hydrogen. Program fast, moderately accurate, and operates over wide ranges of input variables. Written in FORTRAN 77.
A computer program framework, YAHFC, to model low-energy nuclear reactions is presented. The framework allows for reactions with incident particles ranging from protons/neutrons to alphas and is designed to address reactions that ultimately lead to the formation of compound nuclear systems that then decay statistically as outlined in concepts of Hauser and Feshbach. Additionally, instead of a reaction, it is also possible to model the decay of a nuclear system with an initial excitation and population. The code models nuclear decays with a Monte Carlo process that tracks the decay of each state. This allows for an exact representation of the spectra for all emitted particles in each of the final exit channels and the possibility of generating reaction data for simulation purposes. The program is interfaced with the optical model code system FRESCOX to calculate transmission coefficients as well as the effects of coupled channels and other direct excitations via the distorted wave Born approximation (DWBA). Modules are included to account for nuclear processes such as width corrections, pre-equilibrium emission, and fission. The program is controlled by a series of input commands and while a set of input parameters exists for each projectile and target, the input commands allow for complete control over each input parameter. Extensive data files are produced and a program is provided that converts YAHFC data files into nuclear data library entries in the generalized nuclear data structure (GNDS).
Equilibrium Air Shock Interference, EASI, program takes account of dissociation of air molecules. Revives and updates older computational methods for calculating inviscid flow field and maximum heating from interference of shock waves. Expands methods to solve problems involving six shock-wave interference patterns on two-dimensional cylindrical leading edge with equilibrium, chemically-reacting gas mixture. Written in FORTRAN 77.
This presentation will describe the numerical techniques, programming paradigms, verification, and performance of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures. Our plasma fluid model solves the conservation equations for self-consistent electrostatic Poisson, electron and heavy species transport, and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive mesh management library, AMReX (Zhang et al., JOSS, 4 (37) 1370, 2019), and can be built and run on widely available vendor specific GPU architectures (NVIDIA/AMD/Intel). We utilize a non-subcycled second order semi-implicit time-stepping method where all adaptive mesh refinement (AMR) levels are advanced with the same time step. The composite multi-level multigrid solver from within AMReX is used for each of the governing equations that are cast into a Helmholtz equation form. We have also developed a python based chemical mechanism parser framework that uses a similar format as CANTERA (Goodwin et al., Zenodo, 2018) yaml files as input. Our custom parser reads the yaml file and provides C++ files with transport and production rate functions that can be executed on both host (CPU) and device (GPU). We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on low-pressure capacitive and high-pressure streamer discharges. Our initial performance studies indicate 10X speed-up using 20 NVIDIA GPUs versus 200 CPUs for an atmospheric streamer discharge problem solved on a 512 x 1024 x 512 grid.
We propose an approach to directly estimate the moments or marginals for a high-dimensional equilibrium distribution in statistical mechanics by solving the high-dimensional Fokker–Planck equation in terms of low-order cluster moments or marginals. With this approach, we bypass the exponential complexity of estimating the full high-dimensional distribution and directly solve the simplified partial differential equations for low-order moments/marginals. Moreover, the proposed moment/marginal relaxation is fully convex and can be solved via off-the-shelf solvers. We further propose a time-dependent version of the convex programs to study non-equilibrium dynamics. In a specific setting, we show the proposed method can recover a mean-field-type equilibrium density. Numerical results are provided to demonstrate the performance of the proposed algorithm for high-dimensional systems.
An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.
Data reduction procedures for determining free-stream and post-normal-shock flow conditions are presented. These procedures are applicable to flows of CO2, N2, O2, Ar, or mixtures of these gases and include the effects of dissociation and ionization. The assumption of thermochemical equilibrium free-stream and post-normal-shock flow is made. Although derived primarily to meet the immediate needs of an expansion tube of a hot gas radiation research facility, these procedures are applicable to any supersonic or hypersonic test facility using these gases or mixtures thereof. The data reduction procedures are based on combinations of three of the following flow parameters measured in the immediate vicinity of the test section: (1) stagnation pressure behind normal shock, (2) free-stream static pressure, (3) stagnation-point heat-transfer rate, (4) free-stream velocity, and (5) free-stream density. Thus, these procedures do not depend explicitly upon measured or calculated upstream flow parameters. The procedures are incorporated into a single computer program written in FORTRAN IV language. A listing of this computer program is presented, along with a description of the inputs required and a sample of the data printout.
Nonlinear structural solution methods in the current research literature are classified according to order of the solution scheme, and it is shown that the analytical tools for these methods are uniformly derivable by perturbation techniques. A new perturbation formulation is developed for treating an arbitrary nonlinear material, in terms of a finite-difference generated stress-strain expansion. Nonlinear geometric effects are included in an explicit manner by appropriate definition of an applicable strain tensor. A new finite-element pilot computer program PANES (Program for Analysis of Nonlinear Equilibrium and Stability) is presented for treatment of problems involving material and geometric nonlinearities, as well as certain forms on nonconservative loading.
Recently, Ida et al. made an N-body simulation of lunar accretion from a protolunar disk formed by a giant impact. One of their important conclusions is that the accretion time of the Moon is as short as one month. Such rapid accretion is a necessary consequence of the high surface density of a lunar mass disk accreting just beyond the Roche limit (about 3Re); the Safronov accretion time (a few days) is even shorter. The energy of accretion always exceeds the gravitational binding energy of newly arriving matter. Hence, without an energy sink, the accreting body is thermally unstable. For the Earth and other planets, radiation acts as the sink. However, in such a short accretion time, the Moon cannot radiate the accretional energy. Even radiating at a silicate cloudtop temperature of roughly 2000 K, it would take more than 100 yr to radiatively cool the Moon. The plausible alternative heat sinks are heat capacity, latent heat of vaporization, and thermal escape of the gas to space (i.e., hydrodynamic blowoff). The latter becomes plausible for the Moon because the scale height at 2000 K (about 300 km) is a significant fraction of the lunar radius. The early stages of lunar (or "lunatesimal") growth release relatively little energy and can occur simply by heating the material, especially if the accreting material is originally cold. However, the material is unlikely to be cold, because the disk itself is hot and cooling time is long, while the lunar accretion time iss very short. Therefore, the moon is likely to accrete condensed material just after it condenses. Accordingly, the newly accreted material will be on the verge of vaporization and will have very little heat capacity to spare. The immediate heat sink is the latent heat of vaporization. Most of the vapor will escape from the moon, because the thermal energy in the gas can be used to drive escape. However, vaporization is generally incomplete. the latent heat of vaporization exceeds the energy of accretion. Viewed globally, the accretional energy is about half the energy required to vaporize the entire Moon. Thus to first approximation, half of the Moon-forming material can be vaporized and lost during accretion. During this process, we would expect preferential loss of relatively volatile elements. Escape will retard the rate of accretion. To test these ideas, we computed detailed models of the thermal state of the Moon during accretion. We pay special attention to the structure of the silicate atmosphere and its loss rate by calculating the chemical species at equilibrium. We used the PHEQ program which includes 12 elements (H,O,C,Mg,Si,Fe,Ca, Al, Na,Ti, and N.) and 272 compounds (including ionic compounds). Because of the large heats of vaporization and ionization, the adiabatic atmosphere is nearly isothermal and massive escape is expected. The pressure of the atmosphere is determined by the balance between vaporization of a accreting material and escape. If the accretion time is one month, a 0.3 bar atmosphere is expected. Elemental fractionation depends strongly on the temperature of the accreting material. The initial temperature of the material can be estimated from the condition of gravitational instability in the protolunar disk. As shown by Ida et al, accretion starts when gravitational instability occurs when more than 99% of the material condenses. At this point, all of Ca, Al, Si, Mg, and Fe, and 95% of Na (probably K also), are in condensed phases. If the moon is formed from the accretion of such material, volatile elements such as Na, and K are retained by the moon only early in accretion. At later times, K and Na are lost and a fraction of the MG, Si and Fe is lost. However, refractory elements such as Ca and Al are retained and so achieve a mild degree (factor 2) of superabundance.
Coal slurries are "clean" pulverized coal mixed with oil or water. Significant fuel savings can be realized when using coal slurries. Advanced Fuels Technology (AFT) utilized a COSMIC program, (Calculation of Complex Chemical Equilibrium Compositions), which provides specific capabilities for determining combustion products. The company has developed a cleaning process that removes much of the mineral sulphur and ash from the coals.
Free atom fractions (Beta) of nine elements are calculated in the exhaust plume of CH4- oxygen and RP-1-oxygen fueled rocket engines using free energy minimization method. The Chemical Equilibrium and Applications (CEA) computer program developed by the Glenn Research Center, NASA is used for this purpose. Data on variation of Beta in both fuels as a function of temperature (1600 K - 3100 K) and oxygen to fuel ratios (1.75 to 2.25 by weight) is presented in both tabular and graphical forms. Recommendation is made for the Beta value for a tenth element, Palladium. The CEA computer code was also run to compare with experimentally determined Beta values reported in literature for some of these elements. A reasonable agreement, within a factor of three, between the calculated and reported values is observed. Values reported in this work will be used as a first approximation for pilot rocket engine testing studies at the Stennis Space Center for at least six elements Al, Ca, Cr, Cu, Fe and Ni - until experimental values are generated. The current estimates will be improved when more complete thermodynamic data on the remaining four elements Ag, Co, Mn and Pd are added to the database. A critique of the CEA code is also included.
Computer program calculates the inviscid one-dimensional equilibrium, frozen, and nonequilibrium nozzle expansion of gaseous propellant exhaust mixtures containing the elements - carbon, hydrogen, oxygen, nitrogen, fluorine and chlorine. The program performs calculations for conical nozzles only.
An experimental program was conducted with the pendular platform of the Oto-Rhino-Laryngology Clinic, which was developed for the investigation of disturbances of the equilibrium. The equilibrium sense of the glider pilot was emphasized. Results are presented.
Computer program calculates the inviscid one-dimensional equilibrium, frozen, and nonequilibrium nozzle expansion of propellant exhaust mixtures containing carbon, hydrogen, oxygen, nitrogen, fluorine, chlorine and either aluminum, beryllium, boron or lithium. This program performs calculations for conical nozzles only.