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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Chemical Thermodynamics and the Mathematical Integration of Reaction Kinetics

Key advances in the development of numerical methods for non-reacting compressible flows have been enabled by translating physical requirements into concrete numerical guidelines, such as the satisfaction of entropy inequalities for shock-capturing techniques [Lax, Contributions to Nonlinear Functional Analysis (1971) 603-634]. In the present work, we present nonlinear numerical analysis tools that draw from Chemical Thermodynamics , the branch of Nonequilibrium Thermodynamics that deals with chemical reactions. Through Gibbs formalism, chemical thermodynamics provides a well-known theoretical expression for the chemical equilibrium constant of a reaction in terms of reduced chemical potentials. A less-known, yet extremely valuable result, due to [Krambeck, Arch. Ration. Mech. Anal. , 38 (1970) 317], states that when this expression is implemented, mass-action kinetic models are consistent with the dynamical prescriptions of the 2nd law of thermodynamics. For fixed-temperature ordinary differential equations modeling constant-volume reacting gas mixtures, this leads to a decreasing Helmholtz free energy. If the temperature is allowed to vary in accordance with conservation of energy (1st law), this leads to the statement of increasing entropy. These nonlinear prescriptions can, and should be, used to further develop temporal integration techniques for reaction kinetics. We demonstrate that Krambeck's result holds even when the equilibrium constants are approximated from data. We prove this result by constructing the implicit free energy and the implicit entropy inherent to a given approximation. This is first done for a 5-species, 17-reaction model problem for air. With this structure established, elements of discrete entropy-stability theory [Tadmor, Acta Numer. , 12 (2003) 451] are leveraged to examine the consistency of time-integration schemes with these prescriptions. Using chemical potentials, one can compute the respective contributions of the kinetics model and of the temporal scheme to free energy/entropy variations. We introduce a nonlinear-stable version of the Discontinuous-Galerkin (DG) scheme in time which shows robustness improvements over the standard linearly-stable version. Most notably, the maximum timestep that can be resolved with the nonlinearly-stable variant tends to grow with polynomial order, in contrast to the linearly-stable variant. We generalize our constructions to arbitrary systems of reversible chemical reactions, ultimately showing that the compressible reacting Euler system admits the opposite of the implicitly constructed thermodynamic entropy as a mathematical entropy . This lays important theoretical foundations towards robust scheme development [Harten, J. Comput. Phys. 49 (1983) 151-164].

STMD↗
NASA NTRSDate not supplied

First-Principles Investigation of Phase Transitions in RuNb, RuTa, and Ru-Nb-Ta Ultrahigh Temperature Shape Memory Alloys

Ultrahigh temperature shape memory alloys (UHT-SMAs) have transition temperatures above 600 C, and they have found applications for sensing and actuating devices in aerospace industry. Among very few such UHT-SMAs currently known are Ru-based alloys such as RuNb and RuTa, whose martensite structures and phase transitions are totally different from those of NiTi-based SMAs and were poorly understood. In this work, we carried out a systematical study of RuNb using first-principles total energy calculations and molecular dynamics (MD) simulations. The transition paths and mechanisms in cubic → tetragonal →monoclinic transitions are revealed. and the transition sequence and martensitic transition temperatures are determined (MTTs) by evaluating the Gibbs free energies using thermodynamic integration. The calculated MTTs are in very good agreement with the experimental data. We found that the monoclinic phase at the second transition has the 𝑃21/m symmetry instead of experimentally identified 𝑃2/m. Our calculations demonstrate that RuTa has very similar phase transitions to those of RuTa. Furthermore, we studied the Ru0.5Nb0.25Ta0.25 ternary. Our results can explain the measured significant drop of MTT (~ 200 C) in the second transition for Ru0.5Nb0.25Ta0.25 compared with those of RuNb and RuTa, while in the first transition its MTT is between MTTs of RuNb and RuTa. The insights gained by this study and the verified ab initio methods for accurate MTT calculations can be applied to fast screen and quantitatively design novel UHT-SMAs having similar properties with desirable MTTs and much reduced cost.

Zhigang Wu↗
NASA NTRS1961

X-15 propulsion subsystem component development

The X-15 rocket-powered research aircraft was developed by the integrated effort of various areas such as aerodynamics, thermodynamics, and structures. The propulsion subsystem development at the onset of the program was handicapped for varied causes. As a result, early in the flight testing phase, many time-consuming and costly delays were encountered as a result of individual component failures. A review of the X-15 propulsion subsystem components is presented, with a discussion of some of the development problems, how they were alleviated, and how they may be reduced or avoided in future programs. In order to avoid these problems in the future, a program is recommended in the hope that it will increase component reliability commensurate with vehicle objectives.

Robert L. Wiswell↗
NASA NTRS1972

Some textures in Apollo 12 lunar igneous rocks and in terrestrial analogs.

The interpretation of immature crystallization and some lunar textures characterized by it are the principal objectives of this investigation. A comparative and selective approach is adopted, and particular reference is made to the form and textural relations of olivine in 12009 and of pyroxenes and plagioclase in 12021, and to terrestrial analogs. The optic orientation of the olivines in 12009 is determined, and their skeletal crystallization is illustrated and evaluated. Microprobe and optical data are associated in a textural analysis of an analog from the upper contact of a minor intrusion in Skye. The optic orientation of pyroxene enclosed in plagioclase cores is determined, and the results are plotted stereographically. The need for greater precision in the use of textural terms is stressed, and a new term - intrafasciculate - is introduced for textures in which pyroxene has crystallized within hollow, skeletal plagioclase. Apollo 12 pyroxene-phyric basalts are texturally reviewed, and the crystallization of the phenocrysts is discussed, emphasis being placed on size-independence of skeletal growth.

Drever, H. I.↗
NASA NTRS1973

Space Shuttle Orbiter ECLSS.

The Orbiter Environmental Control and Life Support System (ECLSS) provides the functions of atmosphere revitalization, crew life support, active thermal conditioning, and airlock support for EVA and docking activities. The ECLSS must satisfy the requirements of orbital missions with four to ten crewmembers and mission duration of a few hours to 30 days and the requirements associated with an atmospheric horizontal flight test program and ferry flight missions. The ECLSS development plan utilizes an ECLSS ground test article and thermal/vacuum testing to support the first horizontal flight test at the end of 1976. The ground testing and horizontal flight test program certify the Orbiter ECLSS for the first orbital flight in early 1978.

Stoll, O. T.↗
NASA NTRS1973

Solid state power controllers

The rationale, analysis, design, breadboarding and testing of the incremental functional requirements are reported that led to the development of prototype 1 and 5 Amp dc and 1 Amp ac solid state power controllers (SSPC's). The SSPC's are to be considered for use as a replacement of electro-mechanical relays and circuit breakers in future spacecraft and aircraft. They satisfy the combined function of both the relay and circuit breaker and can be remotely controlled by small signals, typically 10 mA, 5 to 28 Vdc. They have the advantage over conventional relay/circuit breaker systems in that they can be located near utilization equipment and the primary ac or dc bus. The low level control, trip indication and status signals can be circuited by small guage wire for control, computer interface, logic, electrical multiplexing, unboard testing, and power management and distribution purposes. This results in increased system versatility at appreciable weight saving and increased reliability.

Gibbs, R. S.↗