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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 NTRS1982

A mathematical model of post-instability in fluid mechanics

Postinstability of fluids is eliminated in numerical models by introducing multivalued velocity fields after discarding the principle of impenetrability. Smooth functions are shown to be incapable of keeping the derivatives from going towards infinity when iterating solutions for the governing equations such as those defined by Navier-Stokes. Enlarging the class of functions is shown to be necessary to eliminate the appearance of imaginary characteristic roots in the systems of arbitrary partial differential equations, a condition which leads to physically impossible motions. The enlarging is demonstrated to be achievable by allowing several individual particles with different velocities to appear at the same point of space, and the subsequent multivaluedness of the solutions is purely a mathematical concern, rather than one of actual physical existence. Applications are provided for an inviscid fluid and for turbulence.

Zak, M. A.↗
NASA NTRS1996

Controlled Quantum Packets

We look at time evolution of a physical system from the point of view of dynamical control theory. Normally we solve motion equation with a given external potential and we obtain time evolution. Standard examples are the trajectories in classical mechanics or the wave functions in Quantum Mechanics. In the control theory, we have the configurational variables of a physical system, we choose a velocity field and with a suited strategy we force the physical system to have a well defined evolution. The evolution of the system is the 'premium' that the controller receives if he has adopted the right strategy. The strategy is given by well suited laboratory devices. The control mechanisms are in many cases non linear; it is necessary, namely, a feedback mechanism to retain in time the selected evolution. Our aim is to introduce a scheme to obtain Quantum wave packets by control theory. The program is to choose the characteristics of a packet, that is, the equation of evolution for its centre and a controlled dispersion, and to give a building scheme from some initial state (for example a solution of stationary Schroedinger equation). It seems natural in this view to use stochastic approach to Quantum Mechanics, that is, Stochastic Mechanics [S.M.]. It is a quantization scheme different from ordinary ones only formally. This approach introduces in quantum theory the whole mathematical apparatus of stochastic control theory. Stochastic Mechanics, in our view, is more intuitive when we want to study all the classical-like problems. We apply our scheme to build two classes of quantum packets both derived generalizing some properties of coherent states.

DeMartino, Salvatore↗
NASA NTRS1986

Excitation of O(1D) atoms in aurorae and emission of the forbidden OI 6300-A line

The electron aurora leads to six processes capable of exciting the O(1D2) metastable state of the atomic-oxygen ground-state configuration, the parent state of the 6300-A red line. Altitude profiles of the volume emission rate resulting from each process are computed for Maxwellian electron spectra with characteristic energies between 0.1 and 2.0 keV. Since each process peaks at a different altitude, the sum or total volume emission rate extends over a wide altitude range. Measurements of 6300-A emission obtained by rocket and satellite-borne instruments are summarized, and it is shown that the chemical reaction of N(2D) with O2 is the major source of O(1D) atoms in the electron aurora. New calculations of the 6300-A:4728-A column emission-rate ratio are presented for a range of characteristic energies in an assumed Maxwellian electron spectrum. An approximate equation for the red-line emission per unit energy input is given as a function of electron-spectrum characteristic energy.

Rees, M. H.↗
NASA NTRS1982

An efficient full potential implicit method based on characteristics for analysis of supersonic flows

A nonlinear aerodynamic prediction technique based on the full potential equation in conservation form has been developed for the treatment of supersonic flows. The method uses the theory of characteristic signal propagation to accurately simulate the flow structure, which includes shock waves and mixed elliptic-hyperbolic crossflow. An implicit approximate factorization scheme is employed to solve the finite-differenced equation. The necessary body-fitted grid system in every marching plane is generated numerically, using an elliptic grid solver. Results are shown for conical and nonconical wing-body combinations and compared with experimental data and Euler calculations. The method demonstrates an enormous savings in execution time and memory requirements over Euler methods.

Shankar, V.↗
NASA NTRS2003

Connecting Atmospheric Science and Atmospheric Models for Aerocaptured Missions to Titan and the Outer Planets

Many atmospheric measurement systems, such as the sounding instruments on Voyager, gather atmospheric information in the form of temperature versus pressure level. In these terms, there is considerable consistency among the mean atmospheric profiles of the outer planets Jupiter through Neptune, including Titan. On a given planet or on Titan, the range of variability of temperature versus pressure level due to seasonal, latitudinal, and diurnal variations is also not large. However, many engineering needs for atmospheric models relate not to temperature versus pressure level but atmospheric density versus geometric altitude. This need is especially true for design and analysis of aerocapture systems. Aerocapture drag force available for aerocapture is directly proportional to atmospheric density. Available aerocapture "corridor width" (allowable range of atmospheric entry angle) also depends on height rate of change of atmospheric density, as characterized by density scale height. Characteristics of hydrostatics and the gas law equation mean that relatively small systematic differences in temperature-versus-pressure profiles can integrate at high altitudes to very large differences in density-versus-altitude profiles. Thus a given periapsis density required to accomplish successful aerocapture can occur at substantially different altitudes (approx. 150 - 300 km) on the various outer planets, and significantly different density scale heights (approx. 20 - 50 km) can occur at these periapsis altitudes. This paper will illustrate these effects and discuss implications for improvements in atmospheric measurements to yield significant impact on design of aerocapture systems for future missions to Titan and the outer planets. Relatively small- scale atmospheric perturbations, such as gravity waves, tides, and other atmospheric variations can also have significant effect on design details for aerocapture guidance and control systems. This paper will also discuss benefits that would result from improved understanding of Titan and outer planetary atmospheric perturbation characteristics. Details of recent engineering-level atmospheric models for Titan and Neptune will be presented, and effects of present and future levels of atmospheric uncertainty and variability characteristics will be examined.

Justus, C. G.↗
NASA NTRS1984

Boolean difference equations. I - Formulation and dynamic behavior

In many biological and physical systems, feedback mechanisms depend on a set of thresholds associated with the state variables. Each feedback has a characteristic time scale. It is suggested that delay-difference equations for Boolean-valued variables are an appropriate mathematical framework for such situations: the feedback thresholds result in the discrete, on-off character of the variables, and the interaction time scales of the feedbacks are expressed as delays. The initial-value problem for Boolean delay equations (B-Delta-Es) is formulated, and shown to have unique solutions for all times. Examples of periodic and aperiodic solutions are given. Aperiodic solutions have increasing complexity which depends on time t roughly as t to the l-1 power, l being the number of delays. Stability of solutions is defined, and some examples of stability analysis are given; additional stability questions are raised. The present formulation of (B-Delta-Es) is compared with related work and generalizations are suggested.

Dee, D.↗
NASA NTRS1980

Characterization of acoustic disturbances in linearly sheared flows

Inviscid fluctuations in a compressible linearly sheared, but otherwise homogeneous, parallel two-dimensional flow are considered. The equation describing the plane wave propagation (PWP), the stability, or the rectangular duct mode characteristics in such a flow is shown to be reducible to Whittaker's equation. The exact solutions are applied to problems of PWP and stability in linearly sheared flows as limiting cases in which the speed of sound goes to infinity (incompressible limit) or the shear layer thickness, or wave number, goes to zero (vortex sheet limit). With respect to the PWP it is shown that the shear layer possesses no resonances and no Brewster angles, while with regard to the problem of the stability of a finite thickness shear layer with a linear velocity profile, it is shown that the thin layer is unstable to long wavelength disturbances for all Mach numbers.

Koutsoyannis, S. P.↗
NASA NTRS1987

Investigation of hypersonic rarefied flow on a spherical nose of the AOTV

The Navier-Stokes (NS) equations were integrated numerically for investigating the flow characteristics on the forepart of the spherical nose of a space vehicle such as the AOTV or AFE by a modified Accelerated Successive Replacement (ASR) scheme under hypersonic rarefied conditions. Technical feasibility of the mathematical approach was demonstrated by computing the flowfield on a spherical nose under conditions that the AFE encounters at times t = 15 and 20 seconds after its reentry into the atmosphere. Local similar solutions for the merged layer flow along the stagnation line of the sphere were developed. These are correct to the same degree of accuracy as the NS equations. These solutions provided stagnation line boundary conditions for the domain of integration on the spherical noise. Also, a parametric study of the stagnation line solution was made with a view to understand the flow characteristics in tunnels with different ambient fluids. Analytical expressions for surface slip temperature, jump conditions, and concentration level in the presence of the real gas effects at the top of the Knudsen layer were derived and used to calculate the stagnation line flowfield with nonequilibrium dissociation and ionization. A number of graphics were drawn to illustrate the basic physics of the flowfields. The present analysis can be extended to include real gas effects and to bodies of arbitrary shapes. It can further provide boundary conditions for integrating the NS equations in the near wake region.

Jain, Amolak C.↗
NASA NTRS1985

The method of complex characteristics for transonic airfoil design, with an application to compressors

The use of mathematical models to study physical problems of current interest to aeronautical engineers has been made possible by the development of numerical techniques to compute solutions of the differential equations of transonic aerodynamics. These advances have encouraged the improvement of supercritical wing technology. A method to determined steady, shockless flow of an inviscid, compressible fluid past a cascade of airfoils in the (x,y)-plane is considered, taking into account also the case of an isolated airfoil. The method of complex characteristics solves the equations in the hodograph plane by extending all variables into the complex domain, where the notion of type is no longer significant. Attention is given to the mathematical background, the method of complex characteristics, and numerical calculations.

Bledsoe, M.↗
NASA NTRS2018

An Interplay between Photons, Canopy Structure, and Recollision Probability: A Review of the Spectral Invariants Theory of 3D Canopy Radiative Transfer Processes

Earth observations collected by remote sensors provide unique information to our ever-growing knowledge of the terrestrial biosphere. Yet, retrieving information from remote sensing data requires sophisticated processing and demands a better understanding of the underlying physics. This paper reviews research efforts that lead to the developments of the stochastic radiative transfer equation (RTE) and the spectral invariants theory. The former simplifies the characteristics of canopy structures with a pair-correlation function so that the 3D information can be succinctly packed into a 1D equation. The latter indicates that the interactions between photons and canopy elements converge to certain invariant patterns quantifiable by a few wavelength independent parameters, which satisfy the law of energy conservation. By revealing the connections between plant structural characteristics and photon recollision probability, these developments significantly advance our understanding of the transportation of radiation within vegetation canopies. They enable a novel physically-based algorithm to simulate the “hot-spot” phenomenon of canopy bidirectional reflectance while conserving energy, a challenge known to the classic radiative transfer models. Therefore, these theoretical developments have a far-reaching influence in optical remote sensing of the biosphere.

vegetation remote sensing; stochastic radiative tr↗
NASA NTRS2020

Asteroid (101955) Bennu’s Weak Boulders and Thermally Anomalous Equator

Thermal inertia and surface roughness are proxies for the physical characteristics of planetary surfaces. Global maps of these two propertiesdistinguish the boulder population on near-Earth asteroid (NEA) (101955)Bennuinto two typesthat differ in strength,andboth havelower thermal inertiathan expectedfor boulders and meteorites. Neither has strongly temperature-dependent thermal properties. The weakerbouldertypeprobably would not survive atmospheric entry and thus may not berepresented in the meteorite collection. The maps also show ahigh-thermal-inertia band at Bennu’s equator, which might be explained by processes such as compaction or strength sorting during mass movement, but these explanations are not wholly consistent with other data. Our findings imply that other C-complex NEAs likely have boulderssimilar to those on Bennu,rather than finer-particulate regoliths.A tentative correlation between albedo and thermal inertia of C-complex NEAs may be due to relative abundances of boulder types.

B Rozitis↗
NASA NTRS1973

Hypersonic aerodynamic characteristics of a family of power-law, wing body configurations

The configurations analyzed are half-axisymmetric, power-law bodies surmounted by thin, flat wings. The wing planform matches the body shock-wave shape. Analytic solutions of the hypersonic small disturbance equations form a basis for calculating the longitudinal aerodynamic characteristics. Boundary-layer displacement effects on the body and the wing upper surface are approximated. Skin friction is estimated by using compressible, laminar boundary-layer solutions. Good agreement was obtained with available experimental data for which the basic theoretical assumptions were satisfied. The method is used to estimate the effects of power-law, fineness ratio, and Mach number variations at full-scale conditions. The computer program is included.

Townsend, J. C.↗
DOE OSTI2026

Third-body stabilization of supercritical CO 2 in CO oxidation: development and application of a ReaxFF force field for the CO/O/CO 2 system

Supercritical CO 2 (scCO 2 ) plays a crucial role as a solvent in separation processes, advanced power cycles, and materials processing. Nonetheless, the atomistic comprehension of how the dense scCO 2 matrix influences the fundamental reaction of carbon monoxide (CO) is still insufficiently explored. Experimental studies and molecular dynamics (MD) simulations frequently fail to detect the highly reactive, transient intermediates, such as atomic oxygen (O), that drive these reactions. Here, to address this issue, we have developed a novel ReaxFF reactive force field for the CO 2 /CO/O system. The force field parameters were calibrated using density functional theory and second-order Møller-Plesset calculations to model CO 2 crystal properties, intermolecular interactions, bond dissociation curves, and reaction energy barriers. The force field reproduces the cohesive energy of the CO 2 crystal, the pressure characteristics of bulk scCO 2 , the equation-of-state behavior over a wide pressure–density range, the pressure dependence of the C–O bond length under compression, and the structural properties of liquid and scCO 2 , as documented by experiments, ab-initio MD, and prominent non-reactive models. The force field was subsequently applied to study the CO + O → CO 2 reaction. In a dilute environment, the reaction is inefficient as the newly formed CO 2 rapidly dissociates due to excess kinetic and potential energy acquired from the exothermic reaction. Conversely, in a dense scCO 2 environment, the surrounding matrix acts as an efficient third body, stabilizing the emerging CO2 product via molecular collisions. Statistical analysis confirms an average excess energy dissipation of 133.9 ± 3.6 kcal/mol over 112.4 ± 17.9 ps. Kinetic energy decomposition reveals that ∼ 92% of the excess kinetic energy is stored in internal (rotational and vibrational) degrees of freedom. This ReaxFF force field establishes a mechanistic foundation for third-body stabilization in dense reactive environments.

Chowdhury, Emdadul Haque [Pennsylvania State Univ.↗
DOE OSTI2023

Complementing a continuum thermodynamic approach to constitutive modeling with symbolic regression

Here, an interpretable machine learning method, physics-informed genetic programming-based symbolic regression (P-GPSR), is integrated into a continuum thermodynamic approach to developing constitutive models. The proposed strategy for combining a thermodynamic analysis with P-GPSR is demonstrated by generating a yield function for an idealized material with voids, i.e., the Gurson yield function. First, a thermodynamic-based analysis is used to derive model requirements that are exploited in a custom P-GPSR implementation as fitness criteria or are strongly enforced in the solution. The P-GPSR implementation improved accuracy, generalizability, and training time compared to the same GPSR code without physics-informed fitness criteria. The yield function generated through the P-GPSR framework is in the form of a composite function that describes a class of materials and is characteristically more interpretable than GPSR-derived equations. The physical significance of the input functions learned by P-GPSR within the composite function is acquired from the thermodynamic analysis. Fundamental explanations of why the implemented P-GPSR capabilities improve results over a conventional GPSR algorithm are provided.

42 ENGINEERING↗
DOE OSTI2021

A small heterocyclic molecule as a multistate transistor: a quantum many-body approach

Weakly coupled molecular junctions are an active and important field of research due to their non-linear charge carrier transport. In this study, we investigate transport properties in a weakly coupled molecule, B 2 C 2 N 2 H 6 , using a combined quantum many-body approach and kinetic (master) equations. Various non-linear current–voltage characteristics such as negative differential conductance (NDC), rectifications, and Coulomb staircase, which are the hallmarks of multistate transport devices, have been obtained. We further explore the effect of different perturbations such as gate voltage and perpendicular magnetic field on molecular transport. Depending on the strength of the applied perturbing field, several phenomena such as current switching, and suppression of NDC, have been realized in the device. This study demonstrates small molecules as promising components in next-generation nano-devices.

36 MATERIALS SCIENCE↗