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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A stress-sensitive precipitate nucleation model beyond classical nucleation theory

The dynamic evolution of precipitates and second phases dictates the strength and stability of most engineering alloys. By design, or as a consequence of thermo-mechanical aging, engineering metals and alloys often form precipitates of second phases when subjecting to diverse thermal and mechanical loads. Precipitation is governed by several factors, including the alloy’s composition, processing/operating temperature, and stresses — either as a result of external loads or from residual stresses. However, state-of-the-art models for precipitate nucleation (i.e., classical nucleation theory) typically lacks consistent method to capture the effects of externally applied and/or internal stresses on nucleation; thereby severely limiting the applicability of these models to complex materials systems and to representative loading scenarios. Here, in this work, we extend upon classical nucleation theory to account for the effect of stresses on precipitation kinetics and thermodynamics. This is achieved via the use of an Eshelbian micromechanics framework keeping track of (i) the stress build up resulting from second phase formation as a function of mechanical load and, (ii) the effects of dislocations on precipitate formation. This new model is applied to σ precipitate in Fe–Cr binary alloys and M 23 C 6 precipitate in 316H stainless steel (SS). Simulations demonstrate the important role of both the remotely applied loads and dislocation pile ups on precipitate nucleation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Dark Matter-Induced Nuclear De-Excitation at SBND with Ab Initio Nuclear Theory

We explore the sensitivity of the Short-Baseline Near Detector (SBND) experiment to light dark matter using MeV-scale electromagnetic activity. Inelastic scattering of dark matter with argon nuclei can excite nuclear states that subsequently de-excite via the emission of MeV-scale photons, producing localized low-energy "blip" signatures in a liquid argon time projection chamber. We perform state-of-the-art ab initio nuclear calculations, including all relevant argon excited states with energies up to 18 MeV, to provide reliable predictions for these signals. After accounting for relevant backgrounds, we find that SBND can probe previously unexplored regions of parameter space for light dark matter.

Dutta, Bhaskar [Bucharest, IFIN-HH; Texas A-M] (OR↗
DOE OSTI2024

Comparing ab initio and quantum-kinetic approaches to electron transport in warm dense matter

Accurate knowledge of the electronic transport properties of warm dense matter is one of the main concerns of research in high-energy-density physics. Three modern approaches with vastly different levels of fidelity are reviewed and compared: the Kubo–Greenwood (KG) approach based on density-functional-theory molecular dynamics simulations (QMD), quantum kinetic theory based on average-atom models, and time-dependent density functional theory. Throughout, emphasis is placed on the connection between static properties of the electrons (e.g., density of states) and transport properties. Overall, it is found that whenever the conduction electrons can be modeled as being nearly free, fair to excellent agreement is found between QMD and kinetic theory approaches. Such a circumstance is required for modeling warm dense matter as a plasma of ions and free electrons, which is assumed in most kinetic theory approaches. The sensitivity of transport properties to the electronic structure is further highlighted by comparing different exchange–correlation approximations in QMD and KG calculations. It is found that the inclusion of exact exchange via thermal hybrid functionals can make a pronounced impact on electrical and thermal conduction in warm dense matter. We also investigate dynamic screening physics via kinetic theory and time-dependent density functional theory calculations of the mean free path of an electron in a hot dense plasma. In sum, we identify three axes along which to make progress in predicting electron transport in warm dense matter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Radhakrishnan, Krishnan↗
DOE OSTI2022

Statistical uncertainty of fission matrix eigenvalues using perturbation theory

Eigenvalue search of high dominance ratio systems may be slow to converge. The fission matrix element is defined by its element (FM){sub ij}, which are the probability for a neutron born in cell i to create a fission in cell j for a spatial mesh of n{sub i}*n{sub j} elements. Fission matrices are used in Monte Carlo criticality simulations to enhance computing speed, but also to find higher order eigenvalues. However, few studies have been made on the link between statistical uncertainties of fission matrix elements and eigenvalues uncertainties. Thus, dominance ratio statistical uncertainties remain unknown. This paper uses a new generalized perturbation theory (GPT) method to estimate sensitivities of eigenvalues to fission matrix elements and then to calculate dominance ratio uncertainties.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1995

On treatments of fetch and stability sensitivity in large-area estimates of sensible heat flux over sea ice

Bulk transfer coefficients estimated as a function of atmospheric stability and sea-ice lead width are combined with Arctic meteorological observations and ice thickness data to calculate the sensitivity of turbulent flux estimates to changes in lead width, wind speed, air temperature, and ice thickness for a high-concentration ice pack. These results are considered in terms of bulk transfer parameterizations that use a fixed transfer coefficient r that address atmospheric stability only. On the basis of the fetch-sensitive parameterizations considered here, differences in lead width for widths up to about 200 m can exert a substantial influence on sensible heat transfer coefficients and heat flux from leads under typical Arctic conditions. Fluxes from an open water lead decrease by 34% if fetch increases from 10 m to 100 m. This effect is greatest for open water leads, decreases considerably as leads refreeze, and is negligible for ice thicker than about 0.3 m. If open or newly refrozen leads make up 2% of the ice cover, than an increase in mean fetch from 10 m to 100 m yields a decrease of about 2 W/sq m in areally averaged flux from the ice pack. Calculations using observed and theoretical lead width distributions suggest that parameterizing lead widths in a sea ice model can be done effectively using a single, representative lead width rather than requiring a full distribution of widths. When coupled to the lowest atmospheric boundary layer using a bulk similarity theory model, this sensitivity of heat transfer to fetch results in substantially higher near-surface air temperatures over narrow leads, with equilibrium air temperatures decreasing by about 50% as fetch increases from 10 to 100 m.

Maslanik, J. A.↗
DOE OSTI2023

High-Level Reverse Intersystem Crossing and Molecular Rigidity Improve Spin Statistics for Triplet–Triplet Annihilation Upconversion

The structural factors affecting triplet−triplet annihilation (TTA) at the molecular level are not well-understood. Here, our steady-state photoluminescence and transient absorption results demonstrate that the spin statistical factor, η, decreases from 0.60 to 0.46 and 0.14 going from 9,10-diphenylanthracene (DPA) to the 1,5-DPA and 2,6-DPA isomers, respectively, during photon upconversion with a platinum octaethylporphyrin sensitizer. Density functional theory (DFT) shows that η depends on the energetics of hot triplet states and molecular rigidity. The significantly high conical intersection energy between the S 0 and T 1 states for 9,10-DPA gives its longer triplet lifetime. Time-dependent DFT calculations show that 9,10-DPA and 1,5-DPA can undergo high-level reverse intersystem crossing from their T 2 and T 3 states, respectively, to the bright S 1 state, increasing the limit of the spin statistical factor. Both factors ultimately serve to enhance the TTA efficiency. Furthermore, this work provides insight into designing molecules for efficient light-emitting and photon upconversion applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bridging reaction theory and nuclear structure in $π^±-$ 48 Ca scattering

Here, we extend the pion-nucleus multiple-scattering framework to include detailed second-order rescattering dynamics for nuclei with nonzero isospin. To account for intermediate charge-exchange and nucleon spin-flip effects, we develop a scattering potential that depends on the one- and two-body densities of the target nucleus. We compute one-body densities from coupled-cluster theory and two-body densities within the Hartree-Fock approximation. To estimate theoretical uncertainties, we employ modern nuclear Hamiltonians derived from chiral effective field theory. While the sensitivity to nuclear structure details is mild, second-order corrections are found to be sizable and essential for accurately reproducing differential cross sections measured in 𝜋 ± − 48 Ca elastic scattering within the Δ⁡(1232)-resonance region.

cluster models↗
DOE OSTI2023

Test of Causal Nonlinear Quantum Mechanics by Ramsey Interferometry with a Trapped Ion

Quantum mechanics requires the time evolution of the wave function to be linear. While this feature has been associated with the preservation of causality, a consistent causal nonlinear theory was recently developed. Interestingly, this theory is unavoidably sensitive to the full physical spread of the wave function, rendering existing experimental tests for nonlinearities inapplicable. Here, in this work, using well-controlled motional superpositions of a trapped ion, we set a stringent limit of 5.4×10 –12 on the magnitude of the unitless scaling factor $\tilde{ε}_γ$ for the predicted causal nonlinear perturbation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1977

Inversion of solar aureole measurements for determining aerosol characteristics

Solar aureole radiance is very sensitively dependent on the aerosol size distributions. The photographic solar aureole isophote (PSAI) measurement technique for determining the aerosol size distribution and other characteristics takes advantage of this sensitivity. Single scattering theory of the solar aureole is given. The assumptions and conditions imposed on the single scattering theory to make it tractable to inversion are discussed. The important role of the almucantar measurements is also discussed.

Deepak, A.↗
NASA NTRS1979

A simplified computer program for the prediction of the linear stability behavior of liquid propellant combustors

A program for predicting the linear stability of liquid propellant rocket engines is presented. The underlying model assumptions and analytical steps necessary for understanding the program and its input and output are also given. The rocket engine is modeled as a right circular cylinder with an injector with a concentrated combustion zone, a nozzle, finite mean flow, and an acoustic admittance, or the sensitive time lag theory. The resulting partial differential equations are combined into two governing integral equations by the use of the Green's function method. These equations are solved using a successive approximation technique for the small amplitude (linear) case. The computational method used as well as the various user options available are discussed. Finally, a flow diagram, sample input and output for a typical application and a complete program listing for program MODULE are presented.

Mitchell, C. E.↗
NASA NTRS1982

RF model of the distribution system as a communication channel, phase 2. Volume 2: Task reports

Based on the established feasibility of predicting, via a model, the propagation of Power Line Frequency on radial type distribution feeders, verification studies comparing model predictions against measurements were undertaken using more complicated feeder circuits and situations. Detailed accounts of the major tasks are presented. These include: (1) verification of model; (2) extension, implementation, and verification of perturbation theory; (3) parameter sensitivity; (4) transformer modeling; and (5) compensation of power distribution systems for enhancement of power line carrier communication reliability.

Rustay, R. C.↗
NASA NTRS1986

Comment on 'Convergence characteristics of a vortex-lattice method for nonlinear configuration aerodynamics'

It is proposed that the study of Rusak et al. (1985), which reports numerical modeling sensitivities on longitudinal force/moment properties for a vortex-lattice method incorporating free vortex filaments to represent the leading-edge vortex separation, employs a formula that is strongly affected by the particular points of analysis chosen. This results in a narrowly applicable curve fit, where numerical sensitivities of the theory are inappropriately traded off against physical effects that are not modeled in that theory. Attention is also given to questionable drag estimate computations.

Luckring, J. M.↗
NASA NTRS1991

Solar and stellar radio spikes - Limits on the saturation of the electron-cyclotron maser

The solar millisecond radio 'spikes' have been explained in terms of X-mode radiation generated by a maser near the electron gyrofrequency, acting on fast coronal electrons with a loss cone. This maser is a phenomenon described by quasi-linear theory. It is sensitive to the small first-relativistic correction to the gyrofrequency. Thus, it might be disrupted rather easily by nonlinear effects. The maximum radiation density that can be reached before the radiation entrains (phase-locks) the electrons and saturates the maser is discussed. If the observed durations of solar radio spikes are a measure of the rate of scattering into the loss-cone, then the inferred energy density is at least two orders of magnitude less than the energy density at which entrainment sets in. Also, maser emission from auroral kilometric radiation does not reach wave energies critical for electron entrainment. Maser emissions from flare stars, however, show 3-4 orders of magnitude higher radio fluxes and brightness temperatures than for the solar case and are likely to be saturated by entrainment.

Wentzel, Donat G.↗
NASA NTRS2010

Strategic Technology Investment Analysis: An Integrated System Approach

Complex technology investment decisions within NASA are increasingly difficult to make such that the end results are satisfying the technical objectives and all the organizational constraints. Due to a restricted science budget environment and numerous required technology developments, the investment decisions need to take into account not only the functional impact on the program goals, but also development uncertainties and cost variations along with maintaining a healthy workforce. This paper describes an approach for optimizing and qualifying technology investment portfolios from the perspective of an integrated system model. The methodology encompasses multi-attribute decision theory elements and sensitivity analysis. The evaluation of the degree of robustness of the recommended portfolio provides the decision-maker with an array of viable selection alternatives, which take into account input uncertainties and possibly satisfy nontechnical constraints. The methodology is presented in the context of assessing capability development portfolios for NASA technology programs.

decision support↗
NASA NTRS1962

Sequential Phenomena in Psychophysical Judgments: A Theoretical Analysis

This paper deals with an analysis of psychophysical detection experiments designed to assess the limit of a human observer's level of sensitivity. A mathematical theory or the detection process is introduced that, in contrast to previous theories, provides an analysis of the sequential effects observed in psychophysical data. Two variations of the detection task are considered: information feedback and no-information feedback. In the feedback situation the subject is given information concerning the correctness of his responses, whereas in the no-feedback situation he is not. Data from a visual detection experiment with no-information feedback, and from an auditory detection experiment with information feedback are analyzed in terms of the theory. Finally, some general results are derived concerning the relationship between performance in the feedback situation and the no-feedback situation.

Atkinson, R. C.↗
NASA NTRS1998

Orbital Processing of Eutectic Rod-Like Arrays

The eutectic is one of only three solidification classes that exist. The others are isostructural and peritectic-class reactions, respectively. Simplistically, in a binaryeutectic phase diagram, a single liquid phase isothermally decomposes to two solid phases in a cooperative manner. The melting point minimum at the eutectic composition, isothermal solidification temperature, near-isocompositional solidification and refined solidification microstructure lend themselves naturally to such applications as brazing and soldering; industries that eutectic alloys dominate. Interest in direct process control of microstructures has led, more recently, to in-situ eutectic directional solidification with applications in electro-magnetics and electro-optics. In these cases, controlled structural refinement and the high aspect ratio and regularity of the distributed eutectic phases is highly significant to the fabrication and application of these in-situ natural composites. The natural pattern formation and scaling of the dispersed phase on a sub-micron scale has enormous potential application, since fabricating bulk materials on this scale mechanically has proven to be particularly difficult. It is thus of obvious importance to understand the solidification of eutectic materials since they are of great commercial significance. The dominant theory that describes eutectic solidification was derived for diffusion-controlled growth of alloys where both solid eutectic phases solidify metallically, i.e. without faceting at the solidification interface. Both high volume fraction (lamellar) and low volume fraction (rod-like) regular metallic arrays are treated by this theory. Many of the useful solders and brazements, however, and most of the regular in-situ composites are characterized by solidification reactions that are faceted/non-faceted in nature, rather than doubly non-faceted (metallic). Further, diffusion-controlled growth conditions are atypical terrestrially since gravitationally-driven convection is pervasive. As a consequence, it is important to determine whether these faceted/non-faceted composites behave in the same manner as their doubly non-faceted counterparts, particularly in the presence of convection. Prior analytical convective sensitivity testing of this theory predicted insensitivity. Prior experimental testing of this theory offered broad-based agreement between theory and experiment, though most results were for high volume fraction lamellar eutectics that solidified without faceting at the solidification interface. Directional solidification experiments of low volume fraction rod eutectics under damped (microgravity or magnetic field) conditions, however, have demonstrated significant sensitivity, challenging this fundamental theory. More recent theories have been proposed which introduce kinetic undercooling, faceting, fluid shear of the solute redistribution zone and the possibility that the interface composition is not the same as the bulk liquid composition. This program tests the established and proposed analytical theories and addresses the origins of discrepancies between the experimental and analytical results.

Larson, David J., Jr.↗