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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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DOE OSTI2024

RASPA3

RASPA3, a molecular simulation code for computing adsorption and diffusion in nanoporous materials and thermodynamic and transport properties of fluids. It implements force field based classical Monte Carlo/molecular dynamics in various ensembles. RASPA3 is rewritten from the ground up in C++23 with speed and code readability in mind. Transition-matrix Monte Carlo is added to compute the density of states and free energies. The Monte Carlo code for rigid molecules is based on quaternions, and the atomic positions needed in the energy evaluation are recreated from the center of mass position and quaternion orientation. The expanded ensemble methodology for fractional molecules, with a scaling parameter λ between 0 and 1, now also keeps track of analytic expressions of dU/dλ, allowing independent verification of the chemical potential using thermodynamic integration. The source code is freely available under the MIT license on GitHub.

Dubbeldam, David↗

DOE OSTI2020

Distinctive exchange bias and unusual memory effects in magnetically compensated Pr 0.75 Gd 0.25 ScGe

Tuning the chemistry of materials often leads to discoveries of interesting phenomena that expand basic science and support practical applications. Here we show how different spin–orbit coupling in light and heavy lanthanides can be exploited to create complex magnetic ground states and thereby unusual spontaneous exchange bias (SEB), conventional exchange bias (CEB), and magnetic memory effects in almost ideally magnetically compensated Pr 0.75 Gd 0.25 ScGe, which is a representative of the PrScGe–GdScGe solid solution. We report the synthesis and detailed characterization of Pr 0.75 Gd 0.25 ScGe by X-ray powder diffraction, scanning electron microscopy, and magnetization measurements in magnetic fields up to 140 kOe. Partial substitution of a light lanthanide, Pr, with a heavy lanthanide, Gd, results in a complex magnetic ground state, which includes large spontaneous and conventional exchange biases reaching magnitudes of ~1.7 kOe and ~3.5 kOe, respectively, at T = 2 K, as well as shape dependent magnetic compensation and bias phenomena occurring in small external fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Complex field reversal dynamics in nanomagnetic systems

Nanomagnetic materials, built from thin, patterned films of ferromagnetic materials, began as analogues to frustrated magnetism. Their low energy of operation and emergent properties make them strong candidates for physics-based devices. A recent model of how nanomagnetic domains flip, the Glauber mean-field model, is used here to understand how systems of nanomagnets evolve when opposed by external field. This reversal can be expressed in an analytical form in the case of one-dimensional chains and trees at zero temperature, where the cascade of spin flips gives rise to harmonic power spectra. Finally, the same cascades in two and three dimensions form fractal field reversal clusters whose shape depends on the strength of the field and the tuning of interactions between nanomagnets.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Quantitative models of magnetic and electric fields in the magnetosphere

In order to represent the magnetic field B in the magnetosphere various auxiliary functions can be used: the current density, the scalar potential, toroidal and poloidal potentials, and Euler potentials -- or else, the components of B may be expanded directly. The most versatile among the linear representations is the one based on toroidal and poloidal potentials; it has seen relatively little use in the past but appears to be the most promising one for future work. Other classifications of models include simple testbed models vs. comprehensive ones and analytical vs. numerical representations. The electric field E in the magnetosphere is generally assumed to vary only slowly and to be orthogonal to B, allowing the use of a scalar potential which may be deduced from observations in the ionosphere, from the shape of the plasmapause, or from particle observations in synchronous orbits.

Stern, D. P.↗

NASA NTRS1985

Frequency domain solutions to multi-degree-of-freedom, dry friction damped systems under periodic excitation

The anticipated low damping level in large space structures (LSS) has been a major concern for the designers of these structures. Low damping degrades the free response and complicates the design of shape and attitude controllers for flexible spacecraft. Dry friction damping has been considered as a means of increasing the passive damping of LSS, by placing it in the joints and connecting junctures of structures. However, dry friction is highly nonlinear and, hence, analytical investigations are difficult to perform. Here, a multi-harmonic, frequency domain solution technique is developed and applied to a multi-DOF, dry friction damped system. It is seen that the multi-harmonic method is much more accurate than traditional, one harmonic solution methods. The method also compares well with time integration. Finally, comparisons are made with experimental results.

Ferri, A. A.↗

NASA NTRS1984

Large-Scale Advanced Prop-Fan (LAP) blade design

This report covers the design analysis of a very thin, highly swept, propeller blade to be used in the Large-Scale Advanced Prop-Fan (LAP) test program. The report includes: design requirements and goals, a description of the blade configuration which meets requirements, a description of the analytical methods utilized/developed to demonstrate compliance with the requirements, and the results of these analyses. The methods described include: finite element modeling, predicted aerodynamic loads and their application to the blade, steady state and vibratory response analyses, blade resonant frequencies and mode shapes, bird impact analysis, and predictions of stalled and unstalled flutter phenomena. Summarized results include deflections, retention loads, stress/strength comparisons, foreign object damage resistance, resonant frequencies and critical speed margins, resonant vibratory mode shapes, calculated boundaries of stalled and unstalled flutter, and aerodynamic and acoustic performance calculations.

Violette, John A.↗

NASA NTRS1991

Buoyancy effects of a growing, isolated dendrite

The buoyancy effect of a growing isolated dendrite on the solidification process in the undercooling liquid material was investigated by developing an analytic solution to the growth/convection problem in powers of a buoyancy parameter G. The solution depends on the Prandtl number P and the Stefan number S (undercooling) for the local velocity and thermal fields and also the buoyant alteration of the interface shape. Results suggest that buoyancy effect for metals (low P) may be qualitatively different from that for organics (high P).

Canright, D.↗

NASA NTRS1997

Constitutive Equations: Plastic and Viscoelastic Properties. (Latest citations from the Aerospace Database)

The bibliography contains citations concerning analytical techniques using constitutive equations, applied to materials under stress. The properties explored with these techniques include viscoelasticity, thermoelasticity, and plasticity. While many of the references are general as to material type, most refer to specific metals or composites, or to specific shapes, such as flat plate or spherical vessels.

VISCOELASTICITY↗

NASA NTRS1996

Constitutive Equations: Plastic and Viscoelastic Properties. (Latest Citations from the Aerospace Database)

BIBLIOGRAPHIES↗

NASA NTRS1976

Reduction of Stall-Spin Entry Tendencies Through Wing Aerodynamic Design

Results of recent wind tunnel tests and analyses are described which are aimed at helping to prevent spin entry after a stall by modifications to the aircraft wing. Simple add-on devices were utilized which modify the shape of the lift curve after stall, making it essentially flat to 30- 40 degree angle of attack. It is hypothesized that his will greatly reduce the danger of spin entry. Further research will be aimed at laying a firmer theoretical and analytical basis for the approach and at incorporating the complete full scale airplane and its dynamics into the problem.

Kroeger, R. A.↗

DOE OSTI2022

Determining the Role of Synthesis and Reaction Conditions on the Exposed Surface and Shape of ..beta..-Mo2C Catalysts

The production of drop-in quality biofuels typically can be achieved through catalytic fast pyrolysis (CFP) of biomass, followed by hydrodeoxygenation (HDO) of the vapor-phase product to reduce the oxygen content and stabilize the bio-oil product. To favor selectivity toward desired deoxygenation products, bifunctional catalysts with both acidic and hydrogenation sites are often employed. Due to both its oxophilicity and its ability to promote hydrogenation reactions, molybdenum carbide catalysts have shown promise for promoting the HDO of CFP vapors. However, the surface structure and composition of carbide catalyst particles are not well understood, precluding the establishment of fundamental structure-function relationships needed for the rational development of molybdedum carbide for HDO, as well as other reactions. For orthorhombic ..beta..-Mo2C, the (100) facet is largely studied for computational surface-reaction analyses, possibly due to its similarities with the close-packed (111) facet of noble-metal catalysts. However, it has previously been postulated through ab initio thermodynamic studies that the (111), (110), and (011) facets are most stable, though there is no consensus. Furthermore, while a majority of previous surface stability analyses of ..beta..-Mo2C focus on bulk terminations, the highly carburizing synthesis conditions and the use of ..beta..-Mo2C in carbon-containing reaction applications could introduce non-stoichiometric coverages of surface carbon. As such, this study uses ab initio thermodynamics calculations to assess the relative surface stability of the low-index facets of ..beta..-Mo2C, including consideration of varying the coverage of surface carbon. From this information, Wulff constructions are utilized to predict the synthesis and reaction condition-dependent shape and surface carbon composition of ..beta..-Mo2C catalyst particles.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

DOE OSTI2023

The ellipticity parameterization for an NFW profile: An overlooked angular structure in strong lens modeling

Galaxy-scale gravitational lenses are often modeled with two-component mass profiles where one component represents the stellar mass and the second is a Navarro Frenk White (NFW) profile representing the dark matter. Outside of the spherical case, the NFW profile is costly to implement, and so it is approximated via two different methods; ellipticity can be introduced via the lensing potential (NFWp) or via the mass by approximating the NFW profile as a sum of analytical profiles (NFWm). While the NFWp method has been the default for lensing applications, it gives a different prescription of the azimuthal structure, which we show introduces ubiquitous gradients in ellipticity and boxiness in the mass distribution rather than having a constant elliptical shape. Because an unmodeled azimuthal structure has been shown to be able to bias lens model results, we explored the degree to which this azimuthal structure that was introduced can affect the model accuracy. We constructed input profiles using composite models using both the NFWp and NFWm methods and fit these mocks with a power-law elliptical mass distribution (PEMD) model with external shear. As a measure of the accuracy of the recovered lensing potential, we calculated the value of the Hubble parameter H 0 one would determine from the lensing fit. We found that the fits to the NFWp input return H 0 values that are systematically biased by about 3% lower than the NFWm counterparts. We explored whether such an effect is attributable to the mass sheet transformation (MST) by using an MST-independent quantity, ξ 2 . We show that, as expected, the NFWm mocks are degenerate with PEMD through an MST. For the NFWp, an additional bias was found beyond the MST due to the azimuthal structure exterior to the Einstein radius. We recommend modelers use an NFWm prescription in the future, such that the azimuthal structure can be introduced explicitly rather than implicitly.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1978

Stratospheric sounding by infrared heterodyne spectroscopy

Intensity profiles of infrared spectral lines of stratospheric constituents can be fully resolved with a heterodyne spectrometer of sufficiently high resolution. The constituents' vertical distributions can then be evaluated accurately by analytic inversion of the measured line profiles. Estimates of the detection sensitivity of a heterodyne receiver are given in terms of minimum detectable volume mixing ratios of stratospheric constituents, indicating a large number of minor constituents which can be studied. Stratospheric spectral line shapes, and the resolution required to measure them are discussed in light of calculated synthetic line profiles for some stratospheric molecules in a model atmosphere. The inversion technique for evaluation of gas concentration profiles is briefly described and applications to synthetic lines of O3, CO2, CH4 and N2O are given.

Abbas, M. M.↗

NASA NTRS1986

An overview of some investigations of pressure and thermal distributions induced by trailing edge controls on hypersonic aircraft

Detailed surface heat transfer and pressure distributions have been obtained in three-dimensional shock-wave boundary-layer interactions flow regions. The data described were obtained on fundamental shapes: planar wings with trailing edge flaps or spoilers and planar or cylindrical center bodies, representative of the aft portion of hypersonic aircraft. An overview of the work is presented; details of the projects are available in many reports in the open literature. Analytic, empiric methods are advanced for predicting the extent of separation and the increased heat transfer and pressure loads in three-dimensional separated flow regions.

Kaufman, Louis G., II↗

NASA NTRS1993

Probability of lensing magnification by cosmologically distributed galaxies

We present the analytical formulae for computing the magnification probability caused by cosmologically distributed galaxies. The galaxies are assumed to be singular, truncated-isothermal spheres without both evolution and clustering in redshift. We find that, for a fixed total mass, extended galaxies produce a broader shape in the magnification probability distribution and hence are less efficient as gravitational lenses than compact galaxies. The high-magnification tail caused by large galaxies is well approximated by an A exp -3 form, while the tail by small galaxies is slightly shallower. The mean magnification as a function of redshift is, however, found to be independent of the size of the lensing galaxies. In terms of the flux conservation, our formulae for the isothermal galaxy model predict a mean magnification to within a few percent with the Dyer-Roeder model of a clumpy universe.

Pei, Yichuan C.↗

NASA NTRS2009

Possible Deficiencies in Predicting Transonic Aerodynamics on the X-43A

The initial X-43A flight test, June 2, 2001, resulted in a mishap and loss of the vehicle. A mishap investigation board (MIB) report and findings, including the established root cause, were publicly released on July, 23, 2003. The X-43A Flight 1 Hyper-X Launch Vehicle (HXLV) failed because the vehicle control system design was deficient for the trajectory flown due to inaccurate analytical models (Pegasus heritage and HXLV specific), which overestimated the (control) system margin ? X-43A Mishap Investigation Report, Vol. I. ? included as Reference 1. Several specific errors were noted, 1) HXLV aerodynamics ? failure to model changes to wing, fin and rudder airfoil shapes due to addition of thermal protection system (TPS); 2) Fin actuation system (FAS) modeling ? under prediction of the control surface hinge moments and FAS compliance; and 3) Parametric uncertainties ? insufficient variation in the aerodynamic, FAS and control system models. In response to the MIB findings, the X-43A program has been working RTF through an approved Corrective Action Plan (CAP) over the last two years.

Labbe, Steven G.↗

NASA NTRS1993

Using emergent order to shape a space society

A fast-growing movement in the scientific community is reshaping the way that we view the world around us. The short-hand name for this movement is 'chaos'. Chaos is a science of the global, nonlinear nature of systems. The center of this set of ideas is that simple, deterministic systems can breed complexity. Systems as complex as the human body, ecology, the mind or a human society. While it is true that simple laws can breed complexity, the other side is that complex systems can breed order. It is the latter that I will focus on in this paper. In the past, nonlinear was nearly synonymous with unsolvable because no general analytic solutions exist. Mathematically, an essential difference exists between linear and nonlinear systems. For linear systems, you just break up the complicated system into many simple pieces and patch together the separated solutions for each piece to form a solution to the full problem. In contrast, solutions to a nonlinear system cannot be added to form a new solution. The system must be treated in its full complexity. While it is true that no general analytical approach exists for reducing a complex system such as a society, it can be modeled. The technical involves a mathematical construct called phase space. In this space stable structures can appear which I use as analogies for the stable structures that appear in a complex system such as an ecology, the mind or a society. The common denominator in all of these systems is that they rely on a process called feedback loops. Feedback loops link the microscopic (individual) parts to the macroscopic (global) parts. The key, then, in shaping a space society, is in effectively using feedback loops. This paper will illustrate how one can model a space society by using methods that chaoticists have developed over the last hundred years. And I will show that common threads exist in the modeling of biological, economical, philosophical, and sociological systems.

Graps, Amara L.↗

DOE OSTI2020

Pyridine-d 5 as a 2 H NMR probe for investigation of macrostructure and pore shapes in a layered Sn(iv) phosphonate–phosphate material

Isotropic and anisotropic motions and molecular states of pyridine-d 5 , adsorbed on the surface within the pores of a layered Sn(IV) phosphonate–phosphate material (1) have been characterized thermodynamically and kinetically by solid-state NMR. The data obtained provide formulation of macrostructure and shapes of pores in 1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗