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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

On the generation of the sequence of diffuse resonances observed on top side ionograms

Two different plasma wave instabilities have been invoked in earlier models for the generation of top side ionogram diffuse resonances. Arguments are presented that support the model based on the Harris instability, i.e., the instability resulting from a sounder-stimulated anisotropic electron velocity distribution. Two modifications to this model are also presented. First, it is only necessary for the instability mechanism to operate for a period of the order of milliseconds (rather than tens of milliseconds) in order to explain the observations. Second, the wave associated with the second harmonic of the electron cyclotron frequency, which enters into the nonlinear wave-wave interaction process included in the model, comes from the side bands of the transmitted sounder pulse rather than from the turbulent state of the plasma caused by the pulse. The second modification provides an explanation for the variation of the time duration observed among the members of the sequence of diffuse resonances.

Benson, R. F.↗
NASA NTRS1976

Pioneer 10 ultraviolet photometer observations of Jupiter - The helium to hydrogen ratio

Pioneer 10 UV photometric observations of solar He I 584-A emissions diffusely reflected from the atmosphere of Jupiter are discussed which establish the expected presence of He in the planet. The intensity and profile of the solar He line are remeasured and found to be more intense than originally supposed, implying a lower value for the diffuse 584-A reflectivity of Jupiter and less He than previously estimated. Other measurements of the solar He line are reviewed, resonance scattering by He is analyzed, and radiative-transfer calculations for Jovian model atmospheres are improved by including the anisotropic phase function for helium resonance scattering. The assumption of coherent scattering in the formation of the Jovian airglow line is shown to be an accurate approximation, and present estimates of the atmospheric temperature and eddy diffusion coefficient are examined. An atmospheric He/H abundance ratio greater than zero but less than approximately 28% is determined by assuming an isothermal atmosphere with a temperature of 150 K and the range of eddy-diffusion values given by Pioneer 10 Ly-alpha observations. The effect of higher temperatures on the He/H abundance is briefly evaluated.

Carlson, R. W.↗
DOE OSTI2024

Evolution of PTCDA-derived seeds prior to graphene nanoribbon growth on Ge(001)

The synthesis of graphene nanoribbons (GNRs) can be realized via CH4 chemical vapor deposition (CVD) on substrates such as Ge(001) that promote highly anisotropic growth kinetics. Small polycyclic aromatic hydrocarbons (PAHs) are first sublimed onto Ge near room temperature to form graphene-like seeds that subsequently initiate GNR growth with CH4 exposure at 1173 K. The behaviors of PAHs in the time in between their sublimation onto Ge and GNR growth are unclear. Here, we study an archetypical PAH, perylene-3,4,9,10-tetracarboxyl acid dianhydride (PTCDA), on Ge(001) using both scanning tunneling microscopy (STM) and density functional theory (DFT) to characterize PAH conformation, surface diffusivity, and clustering, versus temperature. PTCDA becomes mobile above 673 K (consistent with a DFT calculated diffusion barrier of 2.01 eV). The mobile PTCDA molecules meet, cluster, and fuse at Ge step edges. These clusters have an apparent height of 0.4 nm, similar to small graphene islands, and grow laterally with increasing temperature – reaching 1.2 – 2.1 nm in width at 1173 K, consistent with the seed size extrapolated from CVD experiments. These results provide a plausible picture for how PTCDA forms seeds for anisotropic GNR CVD and show that PAHs with reduced surface diffusivity and inter-molecular reactivity are needed to enable more monodisperse PAH-seeded GNR synthesis.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Explorer 45 observations of the proton ring current

Explorer 45 satellite data on the stormtime proton ring current are reported and analyzed. Storm-associated variations of equatorially mirroring protons, interactions between the ring current and the plasmapause, and storm recovery phase behavior are discussed. Pitch-angle distributions are plotted as a function of proton energy and radial distance, the structure implying domination of pitch-angle diffusion of ring-current protons in the plasmapause region by resonant interactions with ion cyclotron waves during storm recovery. The anisotropic precipitation in the plasmapause region and the more poleward isotropic precipitation observed at low altitudes outside the plasmapause are compared and distinguished.

Lyons, L. R.↗
DOE OSTI2025

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Growth morphology with anisotropic surface kinetics

The morphological evolution of crystals growing from an incongruent vapor phase is studied using a Monte Carlo model, and the full range of growth morphologies is recovered. The diffusion in the bulk nutrient and the anisotropy in the interface kinetics are morphologically destabilizing and stabilizing, respectively. For a given set of simulation parameters and lattice symmetries there is a critical size, which scales linearly with the mean free path in the vapor, beyond which a crystal cannot retain its stable, macroscopically faceted growth shape. Surface diffusion stabilizes faceted growth on the shorter scale of the mean surface diffusion length. In simulations with a uniform drift superimposed on the random walk nutrient transport, crystal faces oriented toward the drift show enhanced morphological stability compared to the purely diffusive situation. Rotational drifts with periodic reversal of direction are morphologically stabilizing for all crystal facets.

Xiao, Rong-Fu↗
DOE OSTI2024

In situ visualisation of zeolite anisotropic framework flexibility during catalysis

Zeolites exhibit framework flexibility driving their chemical and catalytic properties. Since the zeolitic pores are extremely small, a slight strain generated in the crystal induces compelling changes in shape, connectivity, accessibility, and the framework chemical properties. These modifications affected the adsorption and desorption of reactants/products and the diffusion within the channels during reaction. Using in situ 3D Bragg coherent X-ray diffraction imaging, we unveil the dynamics of the zeolite structure during catalysis, contraction and/or expansion of its framework also known as zeolite framework flexibility. Here, we imaged three-dimensionally a single faujasite zeolite crystal during the ethanol dehydration reaction revealing anisotropic lattice dynamics simultaneously to guest molecules formation. Understanding zeolite flexibility could permit to tune zeolites properties towards potentially higher adsorption and selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Rotation and flattening of globular clusters

Methods for measuring globular cluster ellipticities and the results of such measurements are reviewed, and the processes that determine the shapes of globular clusters and the ways in which they change with time are discussed. The use of the virial tensor theorem to study the connection between the global rotation, velocity anisotropy, and the shape of a self-gravitating system is addressed, and the employment of N-body models to simulate the evolution of globular clusters with initially anisotropic velocity distributions is examined. The application of a simple evaporation model and Fokker-Planck integrations to study the two-body diffusion in globular clusters is reviewed.

Fall, S. M.↗
NASA NTRS1992

On the morphological development of second-phase particles in elastically-stressed solids

We examine the equilibrium shape and the dynamics of the morphological evolution of a coherent misfitting particle in an elastically anisotropic medium. No a priori assumptions are made on the possible particle morphologies; the particle evolves in a manner consistent with both the diffusion and elastic fields surrounding the particle and the thermodynamics of interfaces in stressed solids. Through these calculations we find the thermodynamically stable equilibrium shape of a misfitting particle. By thermodynamically stable we mean that all the equilibrium conditions, elastic, chemical and interfacial are satisfied simultaneously, in contrast to previous treatments which determined the equilibrium shape by minimizing the sum of the elastic and interfacial energies for certain classes of particle shapes. We find that the equilibrium particle morphologies are not simple geometric shapes, have fourfold symmetry and a continuously varying interfacial curvature with position along the interface. Furthermore, the results show that the times required for a particle to evolve to its equilibrium morphology are likely to be within those which are accessible experimentally. In addition, we develop a general approach for determining the equilibrium shape of a particle in an elastically stressed solid.

Voorhees, P. W.↗
DOE OSTI2024

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Computer Simulations of Small Molecules in Membranes: Insights from Computer Simulations into the Interactions of Small Molecules with Lipid Bilayers

Two of Ernest Overton's lasting contributions to biology are the Meyer-Overton relationship between the potency of an anesthetic and its solubility in oil, and the Overton rule which relates the permeability of a membrane to the oil-water partition coefficient of the permeating molecule. A growing body of experimental evidence, however, cannot be reconciled with these theories. In particular, the molecular nature of membranes, unknown to Overton, needs to be included in any description of these phenomena. Computer simulations are ideally suited for providing atomic-level information about the behavior of small molecules in membranes. The authors discuss simulation studies relevant to Overton's ideas. Through simulations it was found that anesthetics tend to concentrate at interfaces and their anesthetic potency correlates better with solubility at the water-membrane interface than with solubility in oil. Simulation studies of membrane permeation revealed the anisotropic nature of the membranes, as evidenced, for example, by the highly nonuniform distribution of free volume in the bilayer. This, in turn, influences the diffusion rates of solutes, which increase with the depth in the membrane. Small solutes tend to move by hopping between voids in the bilayer, and this hopping motion may be responsible for the deviation from the Overton rule of the permeation rates of these molecules.

Pohorille, Andrew↗
NASA NTRS1983

Fresnel zone considerations for reflection and scatter from refractive index irregularities

Several different echoing mechanisms are proposed to explain VHF/UHF scatter from clear air; (1) anisotropic scatter; (2) Fresnel reflection, and (3) Fresnel scatter, in order to account for the spatial (angle and range) and temporal dependence of the echoes. The term diffuse reflection describes the echoing mechanism when both scatter and reflection coexist. A unifying formulation is presented incorporating a statistical approach that embraces all mechanisms the above mechanisms and gives conditions under which reflection or scatter dominates. A distinction between Fraunhofer and Fresnel scatter and a criterion is presented under which Fresnel scatter is important.

Doviak, R. J.↗
NASA NTRS1988

Fatigue life prediction modeling for turbine hot section materials

This paper presents a summary of the life prediction methods developed under the NASA Lewis Research Center's Hot Section Technology (HOST) program. A major objective of the fatigue and fracture efforts under the HOST program was to significantly improve the analytic life prediction tools used by the aeronautical gas turbine engine industry. This has been achieved in the areas of high-temperature thermal and mechanical fatigue of bare and coated high-temperature superalloys. Such technical improvements will eventually reduce life cycle costs. The cyclic crack initiation and propagation resistance of nominally isotropic polycrystalline alloys and highly anisotropic single crystal alloys has been addressed. A sizeable data base has been generated for three alloys [cast PWA 1455 (B-1900 + Hf), wrought Inconel 718, and cast single crystal PWA 1480] in bare and coated conditions. Two coatings systems, diffusion aluminide (PWA 273) and plasma sprayed MCrAIY overlay (PWA 286) were employed. Life prediction modeling efforts were devoted to creep-fatigue interaction, oxidation, coatings interactions, multiaxiality of stress-strain states, mean stress effects, cumulative damage, and thermomechanical fatigue. The fatigue crack initiation life models developed to date include the Cyclic Damage Accumulation (CDA) Model of Pratt & Whitney and the Total Strain Version of Strainrange Partitioning (TS-SRP) of NASA Lewis for nominally isotropic materials, and the Tensile Hysteretic Energy Model of Pratt & Whitney for anisotropic superalloys. The fatigue model being developed by the General Electric Company is based upon the concepts of Path-lndependent Integrals (PII) for describing cyclic crack growth under complex nonlinear response at the crack tip due to thermomechanical loading conditions. A micromechanistic oxidation crack extension model has been derived by researchers at Syracuse University. The models are described and discussed in the paper. Only limited verification has been achieved to-date as several of the technical programs are still in progress and the verification tasks are scheduled, quite naturally, near the conclusion of the program. To-date, efforts have concentrated on development of independent models for cyclic constitutive behavior, cyclic crack initiation, and cyclic crack propagation. The transition between crack initiation and crack propagation has not been thoroughly researched as yet, and the integration of these models into a unified life prediction method has not been addressed.

Metal fatigue↗
NASA NTRS1987

Hydrodynamical constraints on cosmic-ray acceleration in relativistic shocks

A two-fluid hydrodynamical model governing the transport of cosmic rays in a relativistically moving background plasma is developed. The equations are used to discuss the time asymptotic structure of a relativistic, plane-parallel shock wave significantly modified by first-order Fermi acceleration of cosmic rays. The model allows for an anisotropic cosmic-ray pressure tensor with pressure components parallel and perpendicular to the shock normal. It is surmised that the well-known energy threshold problem for diffusive shock acceleration that downstream particles have a large enough velocity to overtake the shock and subsequently scatter in the upstream medium before returning to the downstream medium may be expressed hydrodynamically by the condition V less than V(cr), where V is the fluid velocity relative to the shock and V(cr) is the relativistic cosmic-ray sound speed. Astrophysical implications of the results are briefly discussed.

Webb, G. M.↗
NASA NTRS1975

On the use of a finite difference method for solving anisotropic scattering problems

A new method of solving the radiative transfer equation is developed in which the scattering and absorption coefficients may have arbitrary variations with depth, and in which both internal (thermal) emission and incident radiation are allowed. Specular and diffuse reflection at both boundaries also is taken into account. The method begins by forming a paired set of coupled first-order differential equations for the symmetric and antisymmetric parts of the radiation field after writing the scattering integral as a numerical quadrature. These differential equations are broken into finite difference form, in which the symmetric and antisymmetric parts of the radiation field are found on alternate grid points. Numerical results for a number of test problems are shown, demonstrating that the method is very fast, that it returns specific intensities and fluxes that are accurate to at least a percent, and that it can be applied to optically thick problems.

Barkstrom, B. R.↗
DOE OSTI2026

Microstructure, Transport, and Mechanics of Compacted Clay Simulated at the 0.1 μm Scale (1400 Smectite Clay Particles) Using a Coarse-Grained Model with Explicit Counterions

Clay-rich geomaterials play a critical role in many subsurface systems. The macroscale properties of these materials (low permeability, high ionic conductivity, high swelling pressure, etc.) are sensitive to molecular-level adsorption and hydration interactions at clay−water interfaces. Efforts to develop multiscale simulation approaches to predict these properties reveal a scale gap between atomistic simulations (typically limited to systems smaller than 10 nm) and continuum-scale models (which use computational grid elements with dimensions ≳ 10 μm). In this study, we present a coarse-grained (CG) framework that partly bridges this gap by simulating compacted smectite clay assemblages with dimensions of 0.1 μm containing 1,400 clay particles across a range of dry densities (1,050 to 1,850 kg·m −3 ) and Na/Ca counterion compositions (Na fraction ranging from 0.2 to 1). The simulated systems, along with their reconstructed binary three-dimensional pore networks, are used to evaluate the microstructure, pore size distribution, tortuosity, ion diffusivity, and swelling pressure of compacted smectite clay. Results show that our approach captures important features of the mesoscale heterogeneity of compacted clays, including tactoid formation, hierarchical porosity, and anisotropic pore networks. Results also reveal how compaction and counterion composition govern emergent behaviors, including dominant pore sizes, directional transport, and electrochemical response. This work highlights the potential of CG simulations to bridge molecular and continuum scales and to advance geotechnical and environmental applications involving clay-rich materials as well as related nanoporous media such as geopolymers and calcium-silicate-hydrate. However, the results also suggest that accurate prediction of certain microstructural and mechanical properties (e.g., swelling pressure) may require even larger-scale systems on the order of 1 μm.

02 PETROLEUM↗
DOE OSTI2025

Precise Linker Length and Dynamic Bond Exchange Control Penetrant Diffusion in Dense Vitrimers

Polymer networks with dynamic covalent bonds have been investigated for their self-healing ability, recyclability, and potential as more sustainable materials. Recent results have indicated that in some cases, bond exchange can enhance the transport of penetrants in dense networks, pointing to their potential for separations of membranes. Here, imine dynamic bonds in ethylene oxide (EO) networks with precise linker lengths were synthesized to investigate the transport of N,N′-bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide (BTBP), a large, anisotropic dye molecule. Networks with mesh sizes smaller than, comparable to, and greater than the size of the penetrant axes were investigated to probe the effects of bond exchange and network confinement on transport. Mesh sizes, which ranged from 0.5 to 1.62 nm, were determined from shear rheology, glass transitions by calorimetry, and probe diffusion coefficients by fluorescence recovery after photobleaching. Permanent networks with identical EO chain lengths were prepared as control samples, and up to a 3 orders of magnitude increase in diffusion coefficient is observed in the dynamic systems for short linkers containing 13 backbone atoms. The longest linkers with 71 backbone atoms show no difference between the permanent and dynamic networks. Linkers shorter than 11 backbone atoms, corresponding to a mesh size smaller than the penetrant small axis, diffusion is no longer observable on the experimental time scale, indicating a sharp cutoff attributed to the precise linkers and narrow mesh size distribution. The dynamic imine exchange time scales were compared to the diffusive hopping times of penetrants and indicate that exchange can occur during a diffusive displacement. Furthermore, these findings provide insights into the factors affecting penetrant transport in dense polymers and inspire the development of next-generation selective polymer membranes.

Diffusion↗
NASA NTRS1985

Cosmic ray modulation in a random anisotropic magnetic field

Inhomogeneities of the interplanetary magnetic field can be divided into small scale and large scale ones as may be required by the character of the problem of cosmic ray (CR) propagation. CR propagation in stochastic magnetic fields is of diffusion character. The main contribution into the scattering of CR particles is made by their interaction with inhomogeneities of the magnetic field H which have characteristic dimensions 1 of the order of Larmor radius R=cp/eH of particle (p is the absolute value of particle momentum, e is particle charge, c is velocity of light). Scattering of particles on such inhomogeneities leads to their diffusion mostly along a magnetic field with characteristic dimensions of variation in space exceeding the mean free path.

Dorman, L. I.↗