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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Planetary Boundary-Layer Height (PBLHT) Value-Added Product: Remote-Sensing Retrievals

The planetary boundary layer (PBL) is fundamental to numerous atmospheric processes, including aerosol mixing and transport, cloud evolution, and precipitation formation. A critical parameter in these studies is the PBL height (PBLHT). This vertical depth is essential for characterizing PBL structures in numerical simulations and serves as a primary metric for estimating flux exchanges between the Earth’s surface and the atmosphere. Radiosonde (SONDE) observations provide high-vertical-resolution measurements of temperature and moisture profiles and are widely used to estimate PBLHT (Liu and Liang 2010, Seidel et al. 2010). The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s PBLHT value-added product (VAP) for radiosonde measurements, known as PBLHTSONDE, applies three commonly used methods—the Heffter (1980) method, the Liu and Liang (2010) method, and the bulk Richardson number approach (Seibert et al. 2000)—to derive PBLHT. The PBLHTSONDE VAP operates routinely at ARM observatories and mobile facilities, with data available from the ARM Data Center shortly after sounding observations are collected (Sivaraman et al. 2013). However, radiosonde observations are limited by their low temporal resolution. Most stations launch soundings only twice daily, which constrains the ability to investigate and characterize the temporal evolution of the PBL using radiosonde data alone. The use of continuous remote-sensing observations provides high temporal resolution of PBLHT estimates. These observations include aerosol lidars (Dang et al. 2019, Su et al. 2020), Doppler lidar (DL; Tucker et al. 2009, Krishnamurthy et al. 2021), and water vapor and/or temperature lidars and radiometers (Turner et al. 2014). These observations provide valuable data on the PBL’s thermodynamic properties (e.g., water vapor and/or temperature lidars and radiometers), dynamic properties (e.g., DL), and distribution of tracer substances (e.g., aerosol lidars), all of which can be used to estimate PBLHT. ARM developed PBLHT estimates from the micropulse lidar (MPL; PBLHTMPL), Doppler lidar (PBLHTDL), and combined Raman lidar (RL)/atmospheric emitted radiance interferometer (AERI) thermodynamic profiles (PBLHTTHERMO). Each estimate captures different physical characteristics of the boundary layer—aerosol tracers, vertical velocity turbulence, and thermodynamic structure—and exhibits distinct strengths and limitations depending on the PBL regime and time of day. In addition, the ARM ceilometer (CEIL) provides three potential PBLHT candidates derived from the vendor's built-in algorithm. Building on these individual retrievals, ARM developed the PBLHTBEML VAP, which combines the four remote-sensing-based estimates with ancillary meteorological variables using the machine learning approach of Zhang et al. (2025) to produce a best-estimate PBLHT at 10-minute resolution.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1979

Concepts for reference frames in geodesy and geodynamics - The reference directions

The paper discusses a study that establishes a reference frame, moving with the earth (in some average sense), in which the geometric and dynamical behavior of the earth can be monitored, and whose motion with respect to inertial space can also be determined. Emphasis is placed on the fact that the reference directions at an observation point on the earth surface, are defined by fundamental vectors for both space and time. The interrelationships between this space- and time-variant angular parameter are illustrated in a commutative diagram and tower of triads. Although the model tower is also space- and time-variant, its variations are described by adopted parameters using our current knowledge of the earth.

Grafarend, E. W.↗
NASA NTRS1984

Magnetohydrodynamic modelling of interplanetary disturbances between the sun and earth

A time-dependent, nonplanar, two-dimensional magnetohydrodynamic computer model is used to simulate a series, separately examined, of solar flare-generated shock waves and their subsequent disturbances in interplanetary space between the sun and the earth's magnetosphere. The 'canonical' or ansatz series of shock waves include initial velocities near the sun over the range 500 to 3500 km/s. The ambient solar wind, through which they propagate, is taken to be a steady state homogeneous plasma (that is, independent of heliolongitude) with a representative set of plasma and magnetic field parameters. Complete sets of solar wind plasma and magnetic field parameters are presented and discussed. Particular attention is addressed to the MHD model's ability to address fundamental operational questions vis-a-vis the long-range forecasting of geomagnetic disturbances. These questions are: (1) will a disturbance (such as the present canonical series of solar flare shock waves) produce a magnetospheric and ionospheric disturbance, and, if so, (2) when will it start, (3) how severe will it be, and (4) how long will it last? The model's output is used to compute various solar wind indices of current interest as a demonstration of the model's potential for providing 'answers' to these questions.

Dryer, M.↗
NASA NTRS1987

Random loading fatigue crack growth: Crack closure considerations

The prediction of fatigue crack growth is an important element of effective fracture control for metallic structures and mechanical components, especially in the aerospace industry. The prediction techniques available and applied today are mostly based on fatigue crack growth measurements determined in constant amplitude testing. However, while many service loadings are constant amplitude, many more loadings are random amplitude. An investigation to determine which statistics of random loadings are relevant to fatigue crack closure was conducted. The fundamentals of random processes and crack closure are briefly reviewed, then the relevance of certain random process parameters to the crack closure calculation are discussed qualitatively. A course for further research is outlined.

Ortiz, Keith↗
NASA NTRS1988

Convective effects on directional solidification of a simulated metal alloy

The first significant results of a ground-based experimental program which supports a low gravity space processing Spacelab experiment are reported. The phenomena which precipitate pluming and thus freckling in a metal alloy analog (ammonium chloride and water) are studied in detail and the sequential events leading to massive channeling and convection are optically documented. The pluming is shown to be other than a random burst of unstable fluid from a preferred channel but rather a natural occurrence resulting from a fundamental (Rayleigh-Benard) fluid dynamic instability at the density inversion interface. This extrapolates to critical size parameters appropriate to processing of actual metal alloys.

Mccay, T. D.↗
NASA NTRS1997

Microgravity Foam Structure and Rheology

To exploit rheological and multiple-light scattering techniques, and ultimately microgravity conditions, in order to quantify and elucidate the unusual elastic character of foams in terms of their underlying microscopic structure and dynamics. Special interest is in determining how this elastic character vanishes, i.e. how the foam melts into a simple viscous liquid, as a function of both increasing liquid content and shear strain rate. The unusual elastic character of foams will be quantified macroscopically by measurement of the shear stress as a function of static shear strain, shear strain rate, and time following a step strain; such data will be analyzed in terms of a yield stress, a static shear modulus, and dynamical time scales. Microscopic information about bubble packing and rearrangement dynamics, from which these macroscopic non-Newtonian properties presumably arise, will be obtained non-invasively by novel multiple-light scattering diagnostics such as Diffusing-Wave Spectroscopy (DWS). Quantitative trends with materials parameters, such as average bubble size, and liquid content, will be sought in order to elucidate the fundamental connection between the microscopic structure and dynamics and the macroscopic rheology.

Durian, Douglas J.↗
NASA NTRS2002

Foam Optics and Mechanics

The Foam Optics and Mechanics (FOAM) project will exploit the microgravity environment to more accurately measure the rheological and optical characteristics of wet aqueous foams. Using both rheology and laser light scattering diagnostics, the goal is to quantify the unusual elastic character of foams in terms of their underlying microscopic structure and dynamics. Of particular interest is determining how the elastic character vanishes, i.e., how the foam 'melts' into a simple viscous liquid, as a function of both increasing liquid content and increasing shear strain rate. The unusual elastic character of foams will be quantified macroscopically by measurement of the shear stress as a function of shear strain rate and of time following a step strain. Such data will be analyzed in terms of a yield stress, shear moduli, and dynamical time scales. Microscopic information about bubble packing and rearrangement dynamics, from which the macroscopic non-Newtonian properties ultimately arise, will be obtained non-invasively by multiple-light scattering: diffuse transmission spectroscopy (DTS) and diffusing wave spectroscopy (DWS). Quantitative trends with materials parameters, most importantly average bubble size and liquid content, will be sought in order to elucidate the fundamental connection between the microscopic structure and dynamics and the macroscopic rheology.

Durian, Douglas J.↗
NASA NTRS2006

2.4 Micrometer Cutoff Wavelength AlGaAsSb/InGaAsSb Phototransistors

We report the first AlGaAsSb/InGaAsSb phototransistors with a cutoff wavelength (50% of peak responsivity) of 2.4 micrometers operating in a broad range of temperatures. These devices are also the first AlGaAsSb/InGaAsSb heterojunction phototransistors (HPT) grown by molecular beam epitaxy (MBE). This work is a continuation of a preceding study, which was carried out using LPE (liquid phase epitaxy)-grown AlGaAsSb/InGaAsSb/GaSb heterostructures. Although the LPE-related work resulted in the fabrication of an HPT with excellent parameters [1-4], the room temperature cutoff wavelength of these devices (approximately 2.15 micrometers) was determined by fundamental limitations implied by the close-to-equilibrium growth from Al-In-Ga-As-Sb melts. As the MBE technique is free from the above limitations, AlGaAsSb/InGaAsSb/GaSb heterostructures for HPT with a narrower bandgap of the InGaAsSb base and collector - and hence sensitivity at longer wavelengths (lambda) - were grown in this work. Moreover, MBE - compared to LPE - provides better control over doping levels, composition and width of the AlGaAsSb and InGaAsSb layers, compositional and doping profiles, especially with regard to abrupt heterojunctions. The new MBE-grown HPT exhibited both high responsivity R (up to 2334 A/W for lambda=2.05 micrometers at -20 deg C.) and specific detectivity D* (up to 2.1 x 10(exp 11) cmHz(exp 1/2)/W for lambda=2.05 micrometers at -20 deg C).

Sulima, O. V.↗
NASA NTRS2009

Control-Relevant Modeling, Analysis, and Design for Scramjet-Powered Hypersonic Vehicles

Within this paper, control-relevant vehicle design concepts are examined using a widely used 3 DOF (plus flexibility) nonlinear model for the longitudinal dynamics of a generic carrot-shaped scramjet powered hypersonic vehicle. Trade studies associated with vehicle/engine parameters are examined. The impact of parameters on control-relevant static properties (e.g. level-flight trimmable region, trim controls, AOA, thrust margin) and dynamic properties (e.g. instability and right half plane zero associated with flight path angle) are examined. Specific parameters considered include: inlet height, diffuser area ratio, lower forebody compression ramp inclination angle, engine location, center of gravity, and mass. Vehicle optimizations is also examined. Both static and dynamic considerations are addressed. The gap-metric optimized vehicle is obtained to illustrate how this control-centric concept can be used to "reduce" scheduling requirements for the final control system. A classic inner-outer loop control architecture and methodology is used to shed light on how specific vehicle/engine design parameter selections impact control system design. In short, the work represents an important first step toward revealing fundamental tradeoffs and systematically treating control-relevant vehicle design.

Rodriguez, Armando A.↗
DOE OSTI2025

Towards a Deeper Fundamental Understanding of (Al,Sc)N Ferroelectric Nitrides

Density functional theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-allowed analytical expression of the internal energy and having parameters determined from first principles, to investigate properties and energetics of Al1-xScxN ferroelectric nitrides in their hexagonal forms. These DFT computations and this model predict the existence of two different types of minima, namely, the fourfold-coordinated wurtzite (WZ) polar structure and a five-fold coordinated paraelectric hexagonal phase (denoted as H5), for any Sc composition up to 40%. The H5 minimum progressively becomes the lowest-energy state within hexagonal symmetry as the Sc concentration increases from 0 to 0.4. Furthermore, the model points to several key findings. Examples include the crucial role of the coupling between polarization and strains to create the WZ minimum, in addition to polar and elastic energies, and that the origin of the H5 state overcoming the WZ phase as the global minimum within hexagonal symmetry when increasing the Sc composition mostly lies in the compositional dependency of only two parameters-one linked to the polarization and another one being purely elastic in nature. Other examples are that forcing Al1-xScxN systems to have no or a weak change in lattice parameters when heating them allows us to reproduce their finite-temperature polar properties well and that a value of the axial ratio close to that of the ideal WZ structure implies a large polarization at low temperatures but not necessarily at high temperatures because of the ordered-disordered character of the temperature-induced formation of the WZ state. Such findings should allow for a better fundamental understanding of (Al,Sc)N ferroelectric nitrides, which may be used to design efficient devices having, e.g., low operating voltages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Law, C. K.↗
NASA NTRS2006

Temperature-Dependence of Air-Broadened Line Widths and Shifts in the nu3 Band of Ozone

The 9.6-micron bands of O3 are used by many remote-sensing experiments for retrievals of terrestrial atmospheric ozone concentration profiles. Line parameter errors can contribute significantly to the total errors in these retrievals, particularly for nadir-viewing. The McMath-Pierce Fourier transform spectrometer at the National Solar Observatory on Kitt Peak was used to record numerous high-resolution infrared absorption spectra of O3 broadened by various gases at temperatures between 160 and 300 K. Over 30 spectra were analyzed simultaneously using a multispectrum nonlinear least squares fitting technique to determine Lorentz air-broadening and pressure-induced shift coefficients along with their temperature dependences for selected transitions in the 3 fundamental band of (16)O3. We compare the present results with other measurements reported in the literature and with the ozone parameters on the 2000 and 2004 editions of the HITRAN database.

Smith, Mary A. H.↗
NASA NTRS1999

Kinetics of Nucleation and Crystal Growth in Glass Forming Melts in Microgravity

The following list summarizes the most important results that have been consistently reported for glass forming melts in microgravity: (1) Glass formation is enhanced for melts prepared in space; (2) Glasses prepared in microgravity are more chemically homogeneous and contain fewer and smaller chemically heterogeneous regions than identical glasses prepared on earth; (3) Heterogeneities that are deliberately introduced such as Pt particles are more uniformly distributed in a glass melted in space than in a glass melted on earth; (4) Glasses prepared in microgravity are more resistant to crystallization and have a higher mechanical strength and threshold energy for radiation damage; and (5) Glasses crystallized in space have a different microstructure, finer grains more uniformly distributed, than equivalent samples crystallized on earth. The preceding results are not only scientifically interesting, but they have considerable practical implications. These results suggest that the microgravity environment is advantageous for developing new and improved glasses and glass-ceramics that are difficult to prepare on earth. However, there is no suitable explanation at this time for why a glass melted in microgravity will be more chemically homogeneous and more resistant to crystallization than a glass melted on earth. A fundamental investigation of melt homogenization, nucleation, and crystal growth processes in glass forming melts in microgravity is important to understanding these consistently observed, but yet unexplained results. This is the objective of the present research. A lithium disilicate (Li2O.2SiO2) glass will be used for this investigation, since it is a well studied system, and the relevant thermodynamic and kinetic parameters for nucleation and crystal growth at 1-g are available. The results from this research are expected to improve our present understanding of the fundamental mechanism of nucleation and crystal growth in melts and liquids, and to lead improvements in glass processing technology on earth, with the potential for creating new high performance glasses and glass-ceramics.

Day, Delbert E.↗
NASA NTRS1995

Modified Interior Distance Functions (Theory and Methods)

In this paper we introduced and developed the theory of Modified Interior Distance Functions (MIDF's). The MIDF is a Classical Lagrangian (CL) for a constrained optimization problem which is equivalent to the initial one and can be obtained from the latter by monotone transformation both the objective function and constraints. In contrast to the Interior Distance Functions (IDF's), which played a fundamental role in Interior Point Methods (IPM's), the MIDF's are defined on an extended feasible set and along with center, have two extra tools, which control the computational process: the barrier parameter and the vector of Lagrange multipliers. The extra tools allow to attach to the MEDF's very important properties of Augmented Lagrangeans. One can consider the MIDFs as Interior Augmented Lagrangeans. It makes MIDF's similar in spirit to Modified Barrier Functions (MBF's), although there is a fundamental difference between them both in theory and methods. Based on MIDF's theory, Modified Center Methods (MCM's) have been developed and analyzed. The MCM's find an unconstrained minimizer in primal space and update the Lagrange multipliers, while both the center and the barrier parameter can be fixed or updated at each step. The MCM's convergence was investigated, and their rate of convergence was estimated. The extension of the feasible set and the special role of the Lagrange multipliers allow to develop MCM's, which produce, in case of nondegenerate constrained optimization, a primal and dual sequences that converge to the primal-dual solutions with linear rate, even when both the center and the barrier parameter are fixed. Moreover, every Lagrange multipliers update shrinks the distance to the primal dual solution by a factor 0 less than gamma less than 1 which can be made as small as one wants by choosing a fixed interior point as a 'center' and a fixed but large enough barrier parameter. The numericai realization of MCM leads to the Newton MCM (NMCM). The approximation for the primal minimizer one finds by Newton Method followed by the Lagrange multipliers update. Due to the MCM convergence, when both the center and the barrier parameter are fixed, the condition of the MDF Hessism and the neighborhood of the primal ninimizer where Newton method is 'well' defined remains stable. It contributes to both the complexity and the numerical stability of the NMCM.

Polyak, Roman A.↗
DOE OSTI2023

Band gap dependence of exciton Lande factor in lead halide perovskites

The optical properties of lead halide perovskite semiconductors in vicinity of the bandgap are controlled by excitons, so that investigation of their fundamental properties is of critical importance. The exciton Landé or g-factor g X is the key parameter, determining the exciton Zeeman spin splitting in magnetic fields. The exciton, electron, and hole carrier g-factors provide information on the band structure, including its anisotropy, and the parameters contributing to the electron and hole effective masses. Here, g X is measured by reflectivity in magnetic fields up to 60 T for lead halide perovskite crystals. The materials band gap energies at a liquid helium temperature vary widely across the visible spectral range from 1.520 up to 3.213 eV in hybrid organic–inorganic and fully inorganic perovskites with different cations and halogens: FA 0.9 Cs 0.1 PbI 2.8 Br 0.2 , MAPbI 3 , FAPbBr 3 , CsPbBr 3 , and MAPb(Br 0.05 Cl 0.95 ) 3 . The exciton g-factors are found to be nearly constant, ranging from +2.3 to +2.7. Thus, the strong dependences of the electron and hole g-factors on the bandgap roughly compensate each other when combining to the exciton g-factor. The same is true for the anisotropies of the carrier g-factors, resulting in a nearly isotropic exciton g-factor. The experimental data are compared favorably with model calculation results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Change of Electrical and Transport Properties of Nickel Oxide by Carrier Concentration and Temperature through First-Principle Calculations

Abstract Nickel is typically used as one of the main components in electrical contact devices or connectors. Nickel oxide (NiO) is usually formed on the surfaces of electrodes and can negatively impact system performance by introducing electrical contact resistance. The thermal, electrical, and transport properties of NiO, as a Mott insulator or a p-type semiconductor, can be altered by operating and environmental conditions such as temperature and stress/strain by contact. In this study, we investigate the fundamental material properties of NiO through the first-principle calculations. First, we obtain and compare the lattice parameter, magnetic moment, and electronic structure for NiO via the WIEN2K simulations with four different potentials (i.e., GGA, GGA + U, LSDA, and LSDA + U). Then, using the WIEN2K simulation results with LSDA + U potential that produces a highly accurate bandgap for NiO, we calculate the electrical conductivity and electrical part of the thermal conductivity of nickel and NiO as a function of temperature and carrier concentration through the BoltzTraP simulations. Systematic simulation results revealed that the electrical conductivity relative to the relaxation time for NiO increases with the carrier concentration, while it shows a slightly decreasing trend with temperature under a fixed carrier concentration. By contrast, the electrical part of the thermal conductivity shows an increasing trend considering carrier concentration and temperature.

Shah, Nayem Md. Reza↗
DOE OSTI2025

A review of thermo-hydro-mechanical modeling of coupled processes in fractured rock: From continuum to discontinuum perspective

Coupled thermo-hydro-mechanical (THM) processes in fractured rock are playing a crucial role in geoscience and geoengineering applications. Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling. This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions. By comparing various models, one can better assess the uncertainties in predictions, particularly those related to the conceptual models. The review explores how these methodologies have significantly enhanced the fundamental understanding of how fractures respond to fluid injection and production, and improved predictive capabilities pertaining to coupled processes within fractured systems. It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience. The selection and calibration of model parameters should be based on typical ranges and applied to the specific conditions of applications. The challenges arising from inherent heterogeneity and uncertainties, nonlinear THM coupled processes, scale dependence, and computational limitations in representing field scale fractures are discussed. Realizing potential advances on computational capacity calls for methodical conceptualization, mathematical modeling, selection of numerical solution strategies, implementation, and calibration to foster simulation outcomes that intricately reflect the nuanced complexities of geological phenomena. Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical field of study.

Coupling scheme↗
DOE OSTI2025

Light-Induced Reorientation Transition in an Antiferromagnetic Semiconductor

Because of the lack of a net magnetic moment, antiferromagnets possess a unique robustness to external magnetic fields and are thus predicted to play an important role in future magnetic technologies. However, this robustness also makes them quite difficult to control, and the development of novel methods to manipulate these systems with external stimuli is a fundamental goal of antiferromagnetic spintronics. In this work, we report evidence for a metastable reorientation of the order parameter in an antiferromagnetic semiconductor triggered by an ultrafast quench of the equilibrium order via photoexcitation above the band gap. The metastable state forms less than 10 ps after the excitation pulse, and persists for longer than 150 ps before decaying to the ground state via thermal fluctuations. Importantly, this transition cannot be induced thermodynamically, and requires the system to be driven out of equilibrium. Broadly speaking, this phenomenology is ultimately the result of large magnetoelastic coupling in combination with a relatively low symmetry of the magnetic ground state. Since neither of these properties are particularly uncommon in magnetic materials, the observations presented here imply a generic path toward novel device technology enabled by ultrafast dynamics in antiferromagnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗