Detailed total scattering analysis of disorder in ZIF-8
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Metz, Peter C.↗
SEARCH · Engineering Papers
Results for “THEORIES - BOUNDARY LAYER”
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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Nonlinear interactions in mixing layers and compressible heated round jets
The nonlinear interactions between a fundamental instability mode and both its harmonics and the changing mean flow are studied using the weakly nonlinear stability theory of Stuart and Watson, and numerical solutions of coupled nonlinear partial differential equations. The first part focuses on incompressible cold (or isothermal; constant temperature throughout) mixing layers, and for these, the first and second Landau constants are calculated as functions of wavenumber and Reynolds number. It is found that the dominant contribution to the Landau constants arises from the mean flow changes and not from the higher harmonics. In order to establish the range of validity of the weakly nonlinear theory, the weakly nonlinear and numerical solutions are compared and the limitation of each is discussed. At small amplitudes and at low-to-moderate Reynolds numbers, the two results compare well in describing the saturation of the fundamental, the distortion of the mean flow, and the initial stages of vorticity roll-up. At larger amplitudes, the interaction between the fundamental, second harmonic, and the mean flow is strongly nonlinear and the numerical solution predicts flow oscillations, whereas the weakly nonlinear theory yields saturation. In the second part, the weakly nonlinear theory is extended to heated (or nonisothermal; mean temperature distribution) subsonic round jets where quadratic and cubic nonlinear interactions are present, and the Landau constants also depend on jet temperature ratio, Mach number and azimuthal mode number. Under exponential growth and nonlinear saturation, it is found that heating and compressibility suppress the growth of instability waves, that the first azimuthal mode is the dominant instability mode, and that the weakly nonlinear solution describes the early stages of the roll-up of an axisymmetric shear layer. The receptivity of a typical jet flow to pulse type input disturbance is also studied by solving the initial value problem and then examining the behavior of the long-time solution.
Jarrah, Yousef Mohd↗
Anisotropic Phonon Response of Few-Layer PdSe 2 under Uniaxial Strain
PdSe 2 , an emerging 2D material with a novel anisotropic puckered pentagonal structure, has attracted growing interest due to its layer-dependent electronic bandgap, high carrier mobility, and good air stability. In this work, a detailed Raman spectroscopic study of few-layer PdSe 2 (two to five layers) under the in-plane uniaxial tensile strain up to 3.33% is performed. Two of the prominent PdSe 2 Raman peaks are influenced differently depending on the direction of strain application. Additionally, the A g 1 mode redshifts more than the A g 3 mode when the strain is applied along the a -axis of the crystal, while the A g 3 mode redshifts more than the A g 1 mode when the strain is applied along the b -axis. Such an anisotropic phonon response to strain indicates directionally dependent mechanical and thermal properties of PdSe 2 and also allows the identification of the crystal axes. The results are further supported using first-principles density-functional theory. Interestingly, the near-zero Poisson’s ratios for few-layer PdSe 2 are found, suggesting that the uniaxial tensile strain can easily be applied to few-layer PdSe 2 without significantly altering their dimensions at the perpendicular directions, which is a major contributing factor to the observed distinct phonon behavior. The findings pave the way for further development of 2D PdSe 2 -based flexible electronics.
36 MATERIALS SCIENCE↗
Probing the Edges between Stability and Degradation of a Series of ZnSe-Based Layered Hybrid Semicon
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Yan, Mengwen↗
Intrinsically Honeycomb-Patterned Hydrogenated Graphene
Since the advent of graphene ushered the era of 2D materials, many forms of hydrogenated graphene have been reported, exhibiting diverse properties ranging from a tunable bandgap to ferromagnetic ordering. Patterned hydrogenated graphene with micron-scale patterns has been fabricated by lithographic means. We report successful millimeter-scale synthesis of an intrinsically honeycomb-patterned form of hydrogenated graphene on Ru(0001) by epitaxial growth followed by hydrogenation is reported. Combining scanning tunneling microscopy observations with density-functional-theory (DFT) calculations, it is revealed that an atomic-hydrogen layer intercalates between graphene and Ru(0001). The result is a hydrogen honeycomb structure that serves as a template for the final hydrogenation, which converts the graphene into graphane only over the template, yielding honeycomb-patterned hydrogenated graphene (HPHG). In effect, HPHG is a form of patterned graphane. DFT calculations find that the unhydrogenated graphene regions embedded in the patterned graphane exhibit spin-polarized edge states. This type of growth mechanism provides a new pathway for the fabrication of intrinsically patterned graphene-based materials.
2D material↗
SOL width broadening by spreading of pedestal turbulence
The pedestal turbulence intensity required to convert the thin, laminar H-mode scrape-off layer (SOL) to a broad turbulent SOL is calculated using the theory of turbulence spreading. A lower bound on the pedestal turbulence level to exceed the neoclassical heuristic drift (HD) width is derived. A reduced model of SOL turbulence spreading is used to determine the SOL width as a function of intensity flux from the pedestal to the SOL. The cross-over value for exceeding the HD model width is then calculated. We determine the pedestal turbulence levels—and the critical scalings thereof—required to achieve this level of broadening. Both drift wave and ballooning mode turbulence are considered. Here, a sensitivity analysis reveals that the key competition is that between spreading and linear E × B shear damping. The required pedestal turbulence levels scale with ρ/R.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Facet-dependent dispersion and aggregation of aqueous hematite nanoparticles
Nanoparticle aggregates in solution controls surface reactivity and function. Complete dispersion often requires additive sorbents to impart a net repulsive interaction between particles. Facet engineering of nanocrystals offers an alternative approach to produce monodisperse suspensions simply based on facet-specific interaction with solvent molecules. Here, we measure the dispersion/aggregation of three morphologies of hematite (α-Fe 2 O 3 ) nanoparticles in varied aqueous solutions using ex situ electron microscopy and in situ small-angle x-ray scattering. We demonstrate a unique tendency of (104) hematite nanoparticles to maintain a monodisperse state across a wide range of solution conditions not observed with (001)- and (116)-dominated particles. Density functional theory calculations reveal an inert, densely hydrogen-bonded first water layer on the (104) facet that favors interparticle dispersion. Results validate the notion that nanoparticle dispersions can be controlled through morphology for specific solvents, which may help in the development of various nanoparticle applications that rely on their interfacial area to be highly accessible in stable suspensions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Radio-observations of the ionosphere.
Ionospheric radio observations based on wave propagation theory, discussing sounding data analysis routine and ionospheric normal and sporadic layers
Rawer, K.↗
Newtonian hypersonic theory for normal shock wave structure.
Newtonian hypersonic theory for normal shock wave structure, discussing asymptotic solutions and three layer models
Bush, W. B.↗
The induced magnetic field of the moon - Conductivity profiles and inferred temperature.
Electromagnetic induction in the moon driven by fluctuations of the interplanetary magnetic field is used to determine the lunar bulk electrical conductivity. The earlier data are now augmented by an order of magnitude. The present data clearly show the north-south and east-west transfer function difference as well as the high-frequency rollover suggested earlier. The difference is shown to be compatible over the midfrequency range (0.001 to 0.01 Hz) with a noise source associated with the compression of the local remanent field by solar wind dynamic pressure fluctuations. The rollover of the transfer functions is shown to result from higher order magnetic multipole radiation; electric multipoles appear supressed, although a vestigial TM interaction may still be present. Models for two, three, and four layer; current layer, double current layer, and core plus current layer moons are generated by inversion of the data, using a theory that incorporates higher-order multipoles.
Sonett, C. P.↗
Kinetic approach to the evaporation and condensation problem
In the paper, the Boltzmann equation governing the evaporation and condensation phenomena is solved by the Monte Carlo method. Based on the kinetic theory of gas the role of the non-equilibrium Knudsen layer and the growth of the hydrodynamic region outside the layer as time proceeds are simulated. Results show two possible types of transient developments in the vapor phase. The effects of the molecular absorption coefficient of the phase surface are examined. Except in the case of very strong evaporation the kinematic effects of binary collisions among vapor molecules on the mass flux rate are not serious. The limiting case of the quasi-steady evaporation and the maximal value of the evaporation rate are obtained.
Murakami, M.↗
Room-temperature-operation visible-emission semiconductor diode lasers
There were two main approaches taken to develop shorter wavelength lasers. (1) Based on (AlGa)As and liquid-phase epitaxy, significant new results were obtained: Properties of these laser diodes (power output, spectra, and beam patterns), materials considerations, laser theory, and growth problems are discussed. The design of (AlGa)As layers is discussed from the vertical point of view, and various design curves are given. Horizontal structural requirements are also discussed. Experimental results from measurements done as a function of hydrostatic pressure are correlated with other results. (2) The first heterojunction laser structures using GaAs sub l-x P sub x and In sub y Ga sub l-y P at compositions, where the lattice constants are matched, were grown using vapor-phase growth technology and are described in detail, including experimental device results. Threshold current densities from 3,000 to 5,000 A per sq cm. and emission wavelengths from 6,520 A to 6,640 A were obtained at 77 K. The limiting factor in these devices is nonradiative recombination at the heterojunctions. Life tests on facet-coated (AlGa)As CW diodes are reported.
Ladany, I.↗
Remote sensing of vegetation and soil moisture
Progress in the investigation of problems related to the remote sensing of vegetation and soil moisture is reported. Specific topics addressed include: (1) microwave scattering from periodic surfaces using a rigorous modal technique; (2) combined random rough surface and volume scattering effects; (3) the anisotropic effects of vegetation structures; (4) the application of the strong fluctuation theory to the the study of electromagnetic wave scattering from a layer of random discrete scatterers; and (5) the investigation of the scattering of a plane wave obliquely incident on a half space of densely distributed spherical dielectric scatterers using a quantum mechanical potential approach.
Kong, J. A.↗
Electromagnetic wave probing of Earth's environment
Polarimetric radar backscattering from anisotropic Earth terrain such as snow-covered ice fields and vegetation fields with row structures provides a challenging modeling problem from the electromagnetic wave point of view. Earth terrain covers are modeled as random media characterized by different dielectric constants and correlation functions. A three-layer model will be used to simulate a vegetation field or a snow-covered ice field with the top layer being snow or leaves, the middle layer being ice of trunks, and the bottom layer being sea water or ground. The volume scattering effects of snow-covered sea ice are studied with a three-layer random medium model for microwave remote sensing. The strong fluctuation theory and the bilocal approximation are applied to calculate the effective permittivities for snow and sea ice. The wave scattering theory in conjunction with the distorted Born approximation is then used to compute bistatic coefficients and backscattering cross sections. Theoretical results are illustrated by matching experimental data for dry snow-covered thick first-year sea ice at Point Barrow. The results derived can also be applied to the passive remote sensing by calculating the emissivity from the bistatic scattering coefficients.
Kong, Jin AU↗
Understanding Solid-Electrolyte Interphase Formation at the Lithium Metal Anode of Lithium-Sulfur Batteries
Lithium-sulfur (Li-S) batteries are one of the most promising chemistries for the next generation of energy storage devices. In a standard Li-S cell, the metallic lithium anode is an essential component of the battery due to its low density, extremely high theoretical specific capacity, and very low negative electrochemical potential. However, several challenges related to the use of Li metal have prevented this battery technology from becoming commercially available. For instance, Li-anodes are highly reactive, which results in the continuous decomposition of the electrolyte and the formation of the solid-electrolyte interphase (SEI) layer. This, combined with the non-uniform deposition of Liions during plating at the anode surface, can seriously affect the performance, cycling, and safety of the battery. In addition, it has been suggested that a controlled SEI formation at the metallic Li anode can yield enhanced battery performance. Hence, a comprehensive understanding of how the SEI layer is formed can help elucidate improvements in this battery technology. In this work, the formation of the SEI layer in Li-S batteries is investigated using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. The stability of liquid organic-based electrolyte components, salt concentration, electron-rich environments, and the use of inorganic solid-state electrolyte (SSE) materials are explored in order to provide molecular-level fundamental insights into how the nature and composition of the electrolyte can alter the initial stages of the SEI formation. The products of electrolyte decomposition and electro-/chemical reaction pathways of liquid electrolyte component such as solvent and salts are predicted from AIMD simulations of electrolyte-anode interfaces. Energetics of reactions from DFT ground-state optimizations are also presented to confirm the decomposition mechanisms. Some significant differences are then drawn regarding the use of low and high salt concentrations. Simulations under electron-rich environments show additional multielectron electrochemical reactions of solvent and salt decomposition taking place due to the excess of electrons and the presence of radical anions in the solution. Finally, the initial stages of formation, stability, and main constituents of interfaces between Li-metal and Sbased electrodes with sulfide-based SSEs are characterized in detail.
25 ENERGY STORAGE↗
Fundamentals of Au(111) Surface Dynamics: Coarsening of Two-Dimensional Au Islands
Au(111) surfaces play a central role in many applications, yet studies of fundamental aspects of their dynamics are limited. Thus, using scanning tunneling microscopy (STM) at 300 K, we analyze the coarsening of first-layer 2D Au islands directly on the Au(111) substrate and also of second-layer 2D Au islands. Specifically, we monitor the decay of Au first-layer islands with areas of about 100–500 nm 2 in the vicinity of larger islands or extended step edges over a period of approximately 40 h, the relevant time scale for this process. Experimentally observed behavior is captured by analytical theory for terrace-diffusion-limited decay incorporating DFT results for the Au terrace diffusion barrier and the adatom formation energy.Lastly, experimental observations of second-layer island decay are also compared with appropriate analytical theory and stochastic simulations, thereby determining the effective Ehrlich–Schwoebel barrier for Au on Au(111).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Impact damage in composite laminates
A low-velocity impact-damage model for quasi-symmetric graphite-fiber composite plates is presented. The distribution of damage in each layer of the plate was calculated by employing Di Sciuva's composite laminate theory together with Hashin's failure criterion for fiber-reinforced composites. The dynamic deformation of the target plate was represented by the lower vibrational modes of the plate. The principle of virtual work was applied in the formulation of the problem. In the analysis, the material was regarded as 'damaged' when its designed strength was reduced by the failure of its constituents. The constituent failures consisted of matrix crackings, fiber breakages, and delamination between layers. According to damage modes, the moduli of material in the damaged zone were reduced according to the failure criteria. The interaction between layers and its role in damage propagation were also studied.
Wang, Chung-Yue↗
Unusual layer-by-layer growth of epitaxial oxide islands during Cu oxidation
Elucidating metal oxide growth mechanisms is essential for precisely designing and fabricating nanostructured oxides with broad applications in energy and electronics. However, current epitaxial oxide growth methods are based on macroscopic empirical knowledge, lacking fundamental guidance at the nanoscale. Using correlated in situ environmental transmission electron microscopy, statistically-validated quantitative analysis, and density functional theory calculations, we show epitaxial Cu 2 O nano-island growth on Cu is layer-by-layer along Cu 2 O(110) planes, regardless of substrate orientation, contradicting classical models that predict multi-layer growth parallel to substrate surfaces. Growth kinetics show cubic relationships with time, indicating individual oxide monolayers follow Frank-van der Merwe growth whereas oxide islands follow Stranski-Krastanov growth. Cu sources for island growth transition from step edges to bulk substrates during oxidation, contrasting with classical corrosion theories which assume subsurface sources predominate. Our results resolve alternative epitaxial island growth mechanisms, improving the understanding of oxidation dynamics critical for advanced manufacturing at the nanoscale.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗