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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 289 records · Page 16

Parallelization of Lower-Upper Symmetric Gauss-Seidel Method for Chemically Reacting Flow

Development of technologies for exploration of the solar system has revived an interest in computational simulation of chemically reacting flows since planetary probe vehicles exhibit non-equilibrium phenomena during the atmospheric entry of a planet or a moon as well as the reentry to the Earth. Stability in combustion is essential for new propulsion systems. Numerical solution of real-gas flows often increases computational work by an order-of-magnitude compared to perfect gas flow partly because of the increased complexity of equations to solve. Recently, as part of Project Columbia, NASA has integrated a cluster of interconnected SGI Altix systems to provide a ten-fold increase in current supercomputing capacity that includes an SGI Origin system. Both the new and existing machines are based on cache coherent non-uniform memory access architecture. Lower-Upper Symmetric Gauss-Seidel (LU-SGS) relaxation method has been implemented into both perfect and real gas flow codes including Real-Gas Aerodynamic Simulator (RGAS). However, the vectorized RGAS code runs inefficiently on cache-based shared-memory machines such as SGI system. Parallelization of a Gauss-Seidel method is nontrivial due to its sequential nature. The LU-SGS method has been vectorized on an oblique plane in INS3D-LU code that has been one of the base codes for NAS Parallel benchmarks. The oblique plane has been called a hyperplane by computer scientists. It is straightforward to parallelize a Gauss-Seidel method by partitioning the hyperplanes once they are formed. Another way of parallelization is to schedule processors like a pipeline using software. Both hyperplane and pipeline methods have been implemented using openMP directives. The present paper reports the performance of the parallelized RGAS code on SGI Origin and Altix systems.

Yoon, Seokkwan↗

A Massively Parallel Hybrid Dusty-Gasdynamics and Kinetic Direct Simulation Monte Carlo Model for Planetary Applications

In order to understand the global structure, dynamics, and physical and chemical processes occurring in the upper atmospheres, exospheres, and ionospheres of the Earth, the other planets, comets and planetary satellites and their interactions with their outer particles and fields environs, it is often necessary to address the fundamentally non-equilibrium aspects of the physical environment. These are regions where complex chemistry, energetics, and electromagnetic field influences are important. Traditional approaches are based largely on hydrodynamic or magnetohydrodynamic (MHD) formulations and are very important and highly useful. However, these methods often have limitations in rarefied physical regimes where the molecular collision rates and ion gyrofrequencies are small and where interactions with ionospheres and upper neutral atmospheres are important. At the University of Michigan we have an established base of experience and expertise in numerical simulations based on particle codes which address these physical regimes. The Principal Investigator, Dr. Michael Combi, has over 20 years of experience in the development of particle-kinetic and hybrid kinetichydrodynamics models and their direct use in data analysis. He has also worked in ground-based and space-based remote observational work and on spacecraft instrument teams. His research has involved studies of cometary atmospheres and ionospheres and their interaction with the solar wind, the neutral gas clouds escaping from Jupiter s moon Io, the interaction of the atmospheres/ionospheres of Io and Europa with Jupiter s corotating magnetosphere, as well as Earth s ionosphere. This report describes our progress during the year. The contained in section 2 of this report will serve as the basis of a paper describing the method and its application to the cometary coma that will be continued under a research and analysis grant that supports various applications of theoretical comet models to understanding the inner comae of comets (grant NAGS- 13239 from the Planetary Atmospheres program).

Combi, Michael R.↗

Gradient Driven Fluctuations

We have worked with our collaborators at the University of Milan (Professor Marzio Giglio and his group-supported by ASI) to define the science required to measure gradient driven fluctuations in the microgravity environment. Such a study would provide an accurate test of the extent to which the theory of fluctuating hydrodynamics can be used to predict the properties of fluids maintained in a stressed, non-equilibrium state. As mentioned above, the results should also provide direct visual insight into the behavior of a variety of fluid systems containing gradients or interfaces, when placed in the microgravity environment. With support from the current grant, we have identified three key systems for detailed investigation. These three systems are: 1) A single-component fluid to be studied in the presence of a temperature gradient; 2) A mixture of two organic liquids to be studied both in the presence of a temperature gradient, which induces a steady-state concentration gradient, and with the temperature gradient removed, but while the concentration gradient is dying by means of diffusion; 3) Various pairs of liquids undergoing free diffusion, including a proteidbuffer solution and pairs of mixtures having different concentrations, to allow us to vary the differences in fluid properties in a controlled manner.

Cannell, David↗

Towards Measurement of the Time-resolved Heat Release of Protein Conformation Dynamics

We present a way to observe time-resolved heat release using a laminar flow diffusional mixer coupled with a highly sensitive infrared camera which measures the temperature change of the solvent. There are significant benefits to the use of laminar flow mixers for time-resolved calorimetry: (1) The thermal signal can be made position and time- stationary to allow for signal integration; (2) Extremely small volumes (nl/s) of sample are required for a measurement; (3) The same mixing environment can be observed spectroscopically to obtain state occupation information; (4) The mixer allows one to do out of equilibrium dynamic studies. The hope is that these measurements will allow us probe the non-equilibrium thermodynamics as a protein moves along a free energy trajectory from one state to another.

Puchalla, Jason↗

Modeling Chemical and Isotopic Variations in Lab Formed Hydrothermal Carbonates

Chemical and mineralogical data (e.g. [1]) from Mars suggest that the history of liquid water on the planet was more sporadic in nature than long-lived. The non-equilibrium chemical and isotopic compositions of the carbonates preserved in the martian meteorite ALH84001 are direct evidence of ancient secondary minerals that have not undergone significant diagenesis or stabilization processes typical of long-lived aqueous systems on Earth. Thus secondary minerals and sediments on Mars may primarily record the characteristics of the aqueous environment in which they formed without being significantly overprinted by subsequent diagenetic processes during burial.

Niles, P. B.↗

A Comparative Study Using CFD to Predict Iced Airfoil Aerodynamics

WIND, Fluent, and PowerFLOW were used to predict the lift, drag, and moment coefficients of a business-jet airfoil with a rime ice (rough and jagged, but no protruding horns) and with a glaze ice (rough and jagged end has two or more protruding horns) for angles of attack from zero to and after stall. The performance of the following turbulence models were examined by comparing predictions with available experimental data. Spalart-Allmaras (S-A), RNG k-epsilon, shear-stress transport, v(sup 2)-f, and a differential Reynolds stress model with and without non-equilibrium wall functions. For steady RANS simulations, WIND and FLUENT were found to give nearly identical results if the grid about the iced airfoil, the turbulence model, and the order of accuracy of the numerical schemes used are the same. The use of wall functions was found to be acceptable for the rime ice configuration and the flow conditions examined. For rime ice, the S-A model was found to predict accurately until near the stall angle. For glaze ice, the CFD predictions were much less satisfactory for all turbulence models and codes investigated because of the large separated region produced by the horns. For unsteady RANS, WIND and FLUENT did not provide better results. PowerFLOW, based on the Lattice Boltzmann method, gave excellent results for the lift coefficient at and near stall for the rime ice, where the flow is inherently unsteady.

Chi, x.↗

Afterbody Heating Predictions for a Mars Science Laboratory Entry Vehicle

The Mars Science Laboratory mission intends to deliver a large rover to the Martian surface within 10 km of its target site. One candidate entry vehicle aeroshell consists of a 3.75-m diameter, 70-deg sphere-cone forebody and a biconic afterbody similar to that of Viking. This paper presents computational fluid dynamics predictions of laminar afterbody heating rates for this configuration and a 2010 arrival at Mars. Computational solutions at flight conditions used an 8-species Mars gas model in chemical and thermal non-equilibrium. A grid resolution study examined the effects of mesh spacing on afterbody heating rates and resulted in grids used for heating predictions on a reference entry trajectory. Afterbody heating rate reaches its maximum value near 0.6 W/sq cm on the first windward afterbody cone at the time of peak freestream dynamic pressure. Predicted afterbody heating rates generally are below 3% of the forebody laminar nose cap heating rate throughout the design trajectory. The heating rates integrated over time provide total heat load during entry, which drives thermal protection material thickness.

Edquist, Karl T.↗

Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

Kharchenko, Vasili↗

Ultra-Low-Temperature Homoepitaxial Growth of Sb-Doped Silicon

An ultra-low-temperature process for homoepitaxial growth of high-quality, surface-confined, Sb-doped silicon layers is presented. Non-equilibrium growth by molecular beam epitaxy (MBE) is used to achieve dopant incorporation in excess of 2x10(exp 14) per sq cm in a thin, surface-confined layer. Sb surface segregation larger than expected from theoretical models was observed, in agreement with other experimental works. Furthermore, this work details an entirely low-temperature process (less than 450 degree C) that can be applied to fully processed and aluminum-metallized silicon devices. One application of this process is the formation of a back-surface electrode for back-illuminated high-purity silicon imaging arrays.

Molecular beam epitaxy↗

Estimating Aeroheating of a 3D Body Using a 2D Flow Solver

A method for rapidly estimating the aeroheating, shear stress, and other properties of hypersonic flow about a three-dimensional (3D) blunt body has been devised. First, the geometry of the body is specified in Cartesian coordinates. The surface of the body is then described by its derivatives, coordinates, and principal curvatures. Next, previously relatively simple equations are used to find, for each desired combination of angle of attack and meridional angle, a scaling factor and the shape of an equivalent axisymmetric body. These factors and equivalent shapes are entered as inputs into a previously developed computer program that solves the two-dimensional (2D) equations of flow in a non-equilibrium viscous shock layer (VSL) about an axisymmetric body. The coordinates in the output of the VSL code are transformed back to the Cartesian coordinates of the 3D body, so that computed flow quantities can be registered with locations in the 3D flow field of interest. In tests in which the 3D bodies were elliptic paraboloids, the estimates obtained by use of this method were found to agree well with solutions of 3D, finite-rate-chemistry, thin-VSL equations for a catalytic body.

Scott, Carl D.↗

A Technique for Determining the Nozzle-Flow Properties of Air in an Equilibrium, Nonequilibrium, or Frozen State

One of the problems associated with the development of high-enthalpy hypersonic test facilities hos been the determination of nozzle flow properties. This note presents a technique for determining the flow properties of air in an equilibrium, non-equilibrium, or frozen state using two test section measurements. A knowledge of two stagnation properties is required before the technique can be applied. The stagnation pressure can be measured, and reference 1 offers a method for determining stagnation enthalpy. Results of the calculations using the method of reference 1 are presented in reference 2 in a chart (chart 21) which can be readily used to determine the stagnation enthalpy from measurements of stagnation pressure, mass flow of air through the tunnel, and throat diameter.

Hayman, Lovick O.↗

"Genetically Engineered" Nanoelectronics

The Nanoelectronic Modeling Tool (NEMO) is a general-purpose quantum device design and analysis tool based on a fundamental non-equilibrium electron transport theory.

genetics↗

Trajectory Engineering with Modular Patched Conics for Entry Systems and TPS (TEMPEST)

Brief Presenter Biography (35 word limit): Bohdan Wesely is an Aerospace Engineer in the Entry Systems and Technology Division at Ames. He has worked on a variety of projects for NASA including integrated TPS (thermal protection system) flight hardware deliveries and testing services for commercial partners. Introduction: TEMPEST is a new trajectory analysis framework that is designed to fill the gap between dedicated flight mechanics tools and aerothermal and TPS sizing tools. The project started as an SJSU master’s thesis and has since evolved into a general conceptual design tool capable of studying a wide variety of entry problems. Development is ongoing in the Entry Systems and Technology Division at NASA ARC. Why TEMPEST: Space missions involving entry into a planetary atmosphere involve a series of unique requirements across multiple disciplines. Whether it is traditional entry descent and landing (EDL), or aerocapture, the vehicle must navigate to its target landing location or orbit state, and the TPS must protect the payload during entry. The design process typically involves iterative handoffs between various flight mechanics, flow solver, and material response level tools. During the early conceptual phase, a wide variety of feasible trajectories are simulated in a Monte Carlo scenario which broadly satisfy the mission or landing requirements. Next, computational fluid dynamics (CFD), direct simulation Monte Carlo (DSMC), and other flow solver analyses are performed at various key trajectory points to generate an aero-database, heating and TPS design requirements also emerge at this stage. At this point, with updated aerodynamics from the various flow solvers, trajectories can be re-run, this in turn can change the required freestream conditions for the CFD tools, and as a project progresses, these analyses converge, and uncertainty is reduced. However, there is always a “hand-off” occurring between two inherently coupled phenomena. Analysis Description: One of the goals with TEMPEST is to use a variety of first principles estimation methods coupled with an atmosphere model to predict vehicle aerothermodynamics across the entire flight regime while propagating a 3 or 6 degree of freedom (DoF) trajectory. Aerodynamics methods include modified Newtonian, Maxwell and Cercignani- Lampis-Lord (CLL) for continuum, transitional, and free molecular flow regimes. Aerothermodynamics include boundary layer and reference enthalpy methods, and Mutation++ for non-equilibrium chemistry modeling. TEMPEST is also capable of stitching multiple trajectory segments together to study mission scenarios like multi-pass aerocapture and aero-gravity assists. Most of the program is implemented in MATLAB using modern system objects, it relies on several C++ shared libraries for supporting tools like Gmsh, the Global Reference Atmospheric Model (GRAM), and Mutation++. The various first principles aerothermal estimation methods are discretized across either a structured axisymmetric panel mesh or an unstructured tri-mesh generated from an open-source tool such as Gmsh, this allows solutions on the same mesh to be compared across tools such as CB-Aero. CFD Coupling. A physics-aware, gaussian process CFD anchoring scheme is proposed to adjust the various first principles methods as a CFD database is populated. One goal for this anchoring module is to inform the project where CFD should be run. Full knowledge of the entire trajectory, atmosphere, and aerothermodynamics allows for easier identification of high sensitivity areas and uncertainty quantification. While the first principles effects are well known and proven accurate in existing tools such as CB- Aero and Cart3D, a physics aware CFD anchoring scheme increases tool credibility across a project lifecycle. Material Response Modeling. Correct TPS sizing is critical for optimizing mass for science payloads and ensuring mission success. The process typically involves a thermal analysis along the trajectory with surface heating environments as a boundary condition. Several design constraints are maximum bondline temperature and maximum recession with various margining techniques. The material response tool FIAT, developed out of NASA Ames, is currently being integrated into the TEMPEST environment. TPS recession, shape change, mass loss, and mass property alteration are all factors that can perturb an entry trajectory. For missions like Mars 2020, recession was minimal and was safely handled separately as a post process. For missions such as Jupiter Galileo with a high TPS mass fraction or asteroid entries, recession plays a major role. The proposed fully coupled scheme is to use an epoch-based approach where the trajectory integration is halted after a recession threshold, the energy balance and FIAT are solved at each panel, the mesh, aerodynamics, and mass properties are updated, and the trajectory continues. Several computational tradeoffs have been made during the development of TEMPEST to limit the cost of a single trajectory and preserve its utility as a conceptual, rapid iteration tool. Conclusion: Development of TEMPEST is ongoing and the project is still in its infancy. This talk aims to showcase its unique capabilities to support future NASA entry systems missions.

Bohdan O Wesely↗

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

stagnation heat flux↗

A Machine Learning Framework for Error Compensation in Radiative Transfer Calculations

Radiative heat transfer influences the amount of heat flux transferred to the surface of the hypersonic vehicle, which is essential to evaluate the performance of thermal protection systems. The radiative heat flux is found to be computationally prohibitive while accounting for the variation in spatial, angular, and spectral domains. A new methodology has been recently developed to alleviate the cost of computation in the spectral domain by constructing flow-agnostic reduced-order models (ROMs). The developed spectral ROM databases provide grouping strategies that account for non-equilibrium absorption and emission as well as interaction between disparate species due to spectral overlap in associated radiative processes. However, the developed ROMs need to be optimized for a specific combination of interacting gas species and would need to re-calibrated in case individual species are added/omitted. In this work, we use various machine learning (ML) techniques to approximate the radiative intensities determined by a ROM optimized for a specific gas mixture. The ML model relies on the ROM databases developed for a single species which ignores any spectral overlap. Thus, radiation evaluation starts with a simple summation of radiative intensities predicted using these non-calibrated ROMs for the contributing species. The ML framework then provides a correction to account for the interplay in the frequency, i.e., emission of photons by one species and absorption by another, and yields mixture-specific radiation fields. Once trained on the individual ROM databases, the ML framework offers instantaneous corrections that serves as a time/cost effective alternative to the optimization of ROMs for a specific gas mixture. The ML framework is trained on both the high fidelity and ROM evaluated line of sight (LOS) data from Orion, Stardust, and FIRE II cases to obtain a general purpose correction model for earth re-entry scenarios when radiation contributions from both atomic nitrogen and atomic oxygen are considered. A geometric length scale parameter is used in the training process to account for errors introduced in the ROM databases as a consequence of high optical thickness. The efficacy of the ML framework is underscored through extensive analysis of train and test errors with respect to all the re-entry scenarios. The applicability of such an ML framework was further corroborated by embedding it in a state-of-the-art US3D - NERO system for determining the radiative heat flux transferred to the hypersonic vehicle surface.

Radiation↗

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

Accurate prediction of aerothermodynamic loads in thermal non-equilibrium flows requires precise modeling of internal energy exchange. While previous direct simulation Monte Carlo frameworks have successfully implemented discrete rotational energy models for diatomic species, the treatment of polyatomic molecules has traditionally relied on continuous energy assumptions that break down at low temperatures and neglect critical high-temperature corrections. This study extends the discrete rotational energy models of Boyd and Gimelshein to fully encompass polyatomic molecules. The proposed framework implements quantized rotational energy level sampling for linear, spherical, and symmetric/asymmetric top rotors. Crucially, the model incorporates centrifugal distortion to address the limitations of the rigid-rotor assumption at hypersonic temperatures, and accounts for nuclear spin parity, which dictates the permissible rotational states and macroscopic specific heats at low temperatures. The model is verified through equilibrium sampling procedures, demonstrating agreement with theoretical quantum Boltzmann distributions and accurately reproducing thermophysical properties across a wide range of temperatures.

DSMC↗