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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Geometric Model for a Parametric Study of the Blended-Wing-Body Airplane

A parametric model is presented for the blended-wing-body airplane, one concept being proposed for the next generation of large subsonic transports. The model is defined in terms of a small set of parameters which facilitates analysis and optimization during the conceptual design process. The model is generated from a preliminary CAD geometry. From this geometry, airfoil cross sections are cut at selected locations and fitted with analytic curves. The airfoils are then used as boundaries for surfaces defined as the solution of partial differential equations. Both the airfoil curves and the surfaces are generated with free parameters selected to give a good representation of the original geometry. The original surface is compared with the parametric model, and solutions of the Euler equations for compressible flow are computed for both geometries. The parametric model is a good approximation of the CAD model and the computed solutions are qualitatively similar. An optimal NURBS approximation is constructed and can be used by a CAD model for further refinement or modification of the original geometry.

Mastin, C. Wayne↗
DOE OSTI2015

Theory of the electron sheath and presheath

Here, electron sheaths are commonly found near Langmuir probes collecting the electron saturation current. The common assumption is that the probe collects the random flux of electrons incident on the sheath, which tacitly implies that there is no electron presheath and that the flux collected is due to a velocity space truncation of the electron velocity distribution function (EVDF). This work provides a dedicated theory of electron sheaths, which suggests that they are not so simple. Motivated by EVDFs observed in particle-in-cell(PIC) simulations, a 1D model for the electron sheath and presheath is developed. In the model, under low temperature plasma conditions (T e >> T i ), an electron pressure gradient accelerates electrons in the presheath to a flow velocity that exceeds the electron thermal speed at the sheath edge. This pressure gradient generates large flow velocities compared to what would be generated by ballistic motion in response to the electric field. It is found that in many situations, under common plasma conditions, the electron presheath extends much further into the plasma than an analogous ion presheath. PIC simulations reveal that the ion density in the electron presheath is determined by a flow around the electron sheath and that this flow is due to 2D aspects of the sheath geometry. Simulations also indicate the presence of ion acoustic instabilities excited by the differential flow between electrons and ions in the presheath, which result in sheath edge fluctuations. The 1D model and time averaged PIC simulations are compared and it is shown that the model provides a good description of the electron sheath and presheath.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Poster - 42: TB - ARC: A Total Body photon ARC technique using a commercially available linac

We have developed a total body photon irradiation technique using multiple overlapping open field arcs (TB-ARC). This simple technique uses predetermined arc-weights, with MUs calculated as a function of prescription depth only. Patients lie on a stretcher, in the prone/supine treatment position with AP/PA arcs. This treatment position has many advantages including ease of delivery (especially for tall, pediatric or compromised patients), dose uniformity, simplicity for organ shielding, and imaging capabilities. Using a Varian TrueBeam linac, 14 arcs using 40×40 cm{sup 2} 6 MV open photon beams, sweeping across 10 degrees each, complete a 140 degree arc. The nominal SSD at zero degrees is 200 cm. Arcs at the sweep limits (+/− 70 degrees) are differentially weighted and deliver a dose within 10% of the prescription on central axis, at a depth of 10 cm over a superior-inferior length of 275 cm. CT planning using Varian Eclipse enables dose evaluation. A custom made beam spoiler, consisting of a 2.5 m sheet of polycarbonate (6 mm thick) increases the surface dose from 45% to 90%. This beam spoiler also serves as a support in the event that differential attenuation is required for organs such as lung, heart, liver, kidneys. The geometry of the sweeping beam technique limits organ dose (using varying thicknesses of melting alloy) to about 20% and 40% of prescription at dmax and midplane respectively. Digital imaging with a portable DR cassette enables proper attenuator location prior to treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

This project is part of an ongoing and long-term collaboration among Alexandra Navrotsky (who moved recently from UC Davis to Arizona State University), Nancy Ross at Virginia Tech, and Brian Woodfield at Brigham Young University (BYU) on the thermodynamics and lattice dynamics of nanophase and porous materials. Navrotsky emphasizes energetics of formation and guest molecule sorption by ambient and high temperature calorimetry, Woodfield contributes cryogenic heat capacity measurements, and Ross uses inelastic neutron scattering, X-ray and neutron diffraction, and high pressure studies to probe lattice dynamics and phase transitions. Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. The report below summarizes the work done at UC Davis, which is complemented by work done at BYU (Woodfield) and Virginia Tech (Ross).

36 MATERIALS SCIENCE↗
DOE OSTI2022

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. This research was a collaboration between UC Davis (A. Navrotsky) BYU (B. Woodfield) and Virginia Tech (N. Ross).

36 MATERIALS SCIENCE↗
NASA NTRS1990

Modelling crystal growth: Convection in an asymmetrically heated ampoule

The objective was to develop and implement a numerical method capable of solving the nonlinear partial differential equations governing heat, mass, and momentum transfer in a 3-D cylindrical geometry in order to examine the character of convection in an asymmetrically heated cylindrical ampoule. The details of the numerical method, including verification tests involving comparison with results obtained from other methods, are presented. The results of the study of 3-D convection in an asymmetrically heated cylinder are described.

Alexander, J. Iwan D.↗
NASA NTRS1995

Comparisons of the Maxwell and CLL gas/surface interaction models using DSMC

The behavior of two different models of gas-surface interactions is studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and the Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate represents one of the solar panels on the Magellan spacecraft, and the freestream conditions correspond to those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two-plate system is not representative of the Magellan geometry but is studied to explore possible experiments that might be used to differentiate between the two gas-surface interaction models. The Maxwell and CLL models produce qualitatively similar results for the aerodynamic forces and heat transfer on a single flat plate. However, the flow fields produced with the two models are qualitatively different for both the single-plate and two-plate calculations. These differences in the flowfield lead to predictions of the angle of attack for maximum heat transfer in a two plate configuration that are distinctly different for the two gas-surface interactions models.

Hedahl, Marc O.↗
NASA NTRS1995

Comparisons of the Maxwell and CLL Gas/Surface Interaction Models Using DSMC

Two contrasting models of gas-surface interactions are studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate is that of one of the solar panels on the Magellan spacecraft, and the freestream conditions are one of those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two plate system is not representative of the Magellan geometry, but is studied to explore possible experiments that might be used to differentiate between the two gas surface interaction models.

Hedahl, Marc O.↗
NASA NTRS1997

The Topology of Symmetric Tensor Fields

Combinatorial topology, also known as "rubber sheet geometry", has extensive applications in geometry and analysis, many of which result from connections with the theory of differential equations. A link between topology and differential equations is vector fields. Recent developments in scientific visualization have shown that vector fields also play an important role in the analysis of second-order tensor fields. A second-order tensor field can be transformed into its eigensystem, namely, eigenvalues and their associated eigenvectors without loss of information content. Eigenvectors behave in a similar fashion to ordinary vectors with even simpler topological structures due to their sign indeterminacy. Incorporating information about eigenvectors and eigenvalues in a display technique known as hyperstreamlines reveals the structure of a tensor field. The simplify and often complex tensor field and to capture its important features, the tensor is decomposed into an isotopic tensor and a deviator. A tensor field and its deviator share the same set of eigenvectors, and therefore they have a similar topological structure. A a deviator determines the properties of a tensor field, while the isotopic part provides a uniform bias. Degenerate points are basic constituents of tensor fields. In 2-D tensor fields, there are only two types of degenerate points; while in 3-D, the degenerate points can be characterized in a Q'-R' plane. Compressible and incompressible flows share similar topological feature due to the similarity of their deviators. In the case of the deformation tensor, the singularities of its deviator represent the area of vortex core in the field. In turbulent flows, the similarities and differences of the topology of the deformation and the Reynolds stress tensors reveal that the basic addie-viscosity assuptions have their validity in turbulence modeling under certain conditions.

Levin, Yingmei↗
NASA NTRS2002

Elliptic Grid Generation of Spiral-Bevel Pinion Gear Typical of OH-58 Helicopter Transmission

This paper discusses the source term treatment in the numerical solution of elliptic partial differential equations for an interior grid generation problem in generalized curvilinear coordinates. The geometry considered is that of a planar cross-section of a generic spiral-bevel gear tooth typical of a pinion in the OH-58 helicopter transmission. The source terms used are appropriate for an interior grid domain where all the boundaries are prescribed via a combination of Dirichlet and Neumann boundary conditions. New constraints based on the Green's Theorem are derived which uniquely determine the coefficients in the source terms. These constraints are designed for boundary clustered grids where gradients in physical quantities need to be resolved adequately. However, it is seen that the present formulation works satisfactorily for mild clustering also. Thus, a fully automated elliptic grid generation technique is made possible where there is no need for a parametric study of these parameters since the new relations fix these free parameters uniquely.

Kaul, Upender K.↗
NASA NTRS1981

Self-acting geometry for noncontact seals

Performance ot two self acting seal designs for a liquid oxygen (LOX) turbopump was predicted over ranges of pressure differential and speed. Predictions were compared with test results. Performance of a radial face seal for LOX was predicted up to 448 N/cu cm and 147 m/sec. Performance of a segmented circumferential seal for helium was predicted up to 69 N/cu cm and 189 m/sec. Results confirmed predictions of noncontact operation. Qualitative agreement between test and analysis was found. The LOX face seal evidently operated with mostly liquid in the self acting geometry and mostly gas across the dam.

Allen, G. P.↗
NASA NTRS1977

Stability analysis of a reinforced carbon carbon shell

This paper presents the development of a stability analysis for the nose cap of the NASA Space Shuttle Orbiter. Stability is evaluated by the differential stiffness analysis of the NASTRAN finite-element computer code, addressing those nonstandard characteristics in the nose cap such as nonuniform curvature, asymmetrical and nonuniform loads, support fixity, and various combinations of membrane and bending stresses. A full-sized nose cap, thinner than production, was statically tested and stability analyzed. The failing load level correlated to within 30%. The region and mode of buckling that occurred during test was accurately predicted by analysis. The criterion for predicting instability is based on the behavior of the nonlinear deflections. The deflections are nonlinear elastic in that the stresses are well within the elastic range of the material, but the geometry-load relationship produces nonlinear deflections. The load-deflection relationship is well defined by differential stiffness analysis up to the zero-slope portion of the curve, the point of neutral stability or where the shell 'snaps through' just prior to general instability.

Agan, W. E.↗
DOE OSTI2017

Azimuthally differential pion femtoscopy relative to the second and third harmonic in Pb–Pb 2.76 TeV collision from ALICE

Azimuthally differential femtoscopic measurements, being sensitive to spatio-temporal characteristics of the source as well as to the collective velocity fields at freeze-out, provide very important information on the nature and dynamics of the system evolution. While the HBT radii modulations relative to the second harmonic event plane reflect mostly the spatial geometry of the source, the third harmonic results are mostly defined by the velocity fields. Radii variations with respect to the third harmonic event plane unambiguously signal a collective expansion and anisotropy in the flow fields. Event shape engineering (ESE) is a technique proposed to select events corresponding to a particular shape. Azimuthally differential HBT combined with ESE allows for a detailed analysis of the relation between initial geometry, anisotropic flow and the deformation of source shape. We present azimuthally differential pion femtoscopy with respect to second and third harmonic event planes as a function of the pion transverse momentum for different collision centralities in Pb–Pb collisions at $\sqrt{S_{NN}}$ = 2.76 TeV. All these results are compared to existing models. Thus, the effects of the selection of the events with high elliptic or triangular flow are also presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Loop-by-loop differential equations for dual (elliptic) Feynman integrals

We present a loop-by-loop method for computing the differential equations of Feynman integrals using the recently developed dual form formalism. We give explicit prescriptions for the loop-by-loop fibration of multi-loop dual forms. Then, we test our formalism on a simple, but non-trivial, example: the two-loop three-mass elliptic sunrise family of integrals. We obtain an ε-form differential equation within the correct function space in a sequence of relatively simple algebraic steps. In particular, none of these steps relies on the analysis of q-series. Then, we discuss interesting properties satisfied by our dual basis as well as its simple relation to the known ε-form basis of Feynman integrands. The underlying K3-geometry of the three-loop four-mass sunrise integral is also discussed. Finally, we speculate on how to construct a “good” loop-by-loop basis at three-loop.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Spherical solitons in Earth’S mesosphere plasma

Soliton formation in Earth’s mesosphere plasma is described. Nonlinear acoustic waves in plasmas with two-temperature ions and a variable dust charge where transverse perturbation is dealt with are studied in bounded spherical geometry. Using the perturbation method, a spherical Kadomtsev–Petviashvili equation that describes dust acoustic waves is derived. It is found that the parameters taken into account have significant effects on the properties of nonlinear waves in spherical geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Multi-state Catalysts Modulated by Mechanical Force (Final Report)

The development of more efficient catalytic processes and new approaches to control catalytic activity and selectivity are central to the realization of more selective, atom economic, and energy efficient routes to value added chemicals and polymers. The reactivity and selectivity of a transition metal catalyst is intimately related to the ligand-sphere geometry and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another, resulting in sub-optimal efficiency. Macroscopic mechanical forces are both large, potentially much larger than interatomic forces, and are directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. As such, mechanical force represents a heretofore untapped approach to modulate catalyst geometry, with the potential to reversibly modulate catalyst geometry on the timescale of catalytic turnover or monomer enchainment. This project has addressed the fundamental challenges in material-to-molecule strain coupling associated with the development of a new class of mechanically responsive catalysts (mechanocatalysts) in which active organotransition metal catalysts are strategically embedded in a flexible polymer network such that application of external mechanical force (stretching or deformation) leads to modulation of catalyst geometry, and hence reactivity and selectivity. Our efforts during the tenure of this grant were directed toward the elucidation of force-reactivity relationships of elementary transformations that occur within the first coordination sphere of a transition metal complex employing stiff stilbene photoswitches tethered to a flexible bidentate phosphine ligand derived from MeOBiphep as molecular force probes which provide a range of compressive and extension forces to the coupled transition metal complex depending on the geometry of the stiff stilbene and length of the tethering chains. During the tenure of this grant, we have quantified the rate of C(sp 2 )-C(sp 2 ) reductive elimination from platinum(II) diaryl complexes containing bis(phosphine) force probe ligands as a function of mechanical force; compressive forces decreased the rate of reductive elimination whereas extension forces increased the rate relative to the strain-free MeOBiphep complex with a 3.4-fold change in rate over a ~290 pN range of restoring forces. In a similar manner, we have quantified the rate of oxidative addition of bromobenzene to low-ligated palladium(0) complexes containing force probe ligands as a function of mechanical force; compressive forces increase the rate of oxidative addition, whereas tensile forces decrease the rate with a ~6 fold change in rate across ~340 pN of force applied to the complexes. In both cases, experimental and computational analyses argue strongly against any significant force-induced perturbation of ground state geometry within the first coordination sphere of the reactant complexes. Rather, the force/rate behavior observed for these transformations across these ranges of forces is attributed to the coupling of force to the nuclear motion comprising the reaction coordinates for reductive elimination and oxidative addition. These results together inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle and suggest opportunities to experimentally map geometry changes associated with reactions in transition metal complexes and potential strategies for force-modulated catalysis.

99 GENERAL AND MISCELLANEOUS↗