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At least 649 records · Page 36

Convective diffusion in protein crystal growth

A protein crystal modeled as a flat plate suspended in the parent solution, with the normal to the largest face perpendicular to gravity and the protein concentration in the solution adjacent to the plate taken to be the equilibrium solubility, is studied. The Navier-Stokes equation and the equation for convective diffusion in the boundary layer next to the plate are solved to calculate the flow velocity and the protein mass flux. The local rate of growth of the plate is shown to vary significantly with depth due to the convection. For an aqueous solution of lysozyme at a concentration of 40 mg/ml, the boundary layer at the top of a 1-mm-high crystal has a thickness of 80 microns at 1 g, and 2570 microns at 10 to the -6th g.

Baird, J. K.↗

Evolutionary models and the p-mode oscillation spectrum of Alpha Centauri A and B

Spectroscopically observed abundances of Furenlid and Meylan (1990) and Los Alamos Opacity Library opacities specifically constructed for this mixture are used to construct the most detailed models to date for Alpha Cen A and B. Models including the effects of the diffusion of helium in Alpha Cen A's interior were constructed. Although the effect of helium diffusion is small in Alpha Cen A, it is slightly larger than in the sun because of the larger mass and therefore shallower convection zone of Alpha Cen A. Keeping the heavy-element mixture unchanged but varying Z within the uncertainties yields limits to the helium abundance of Y = 0.295 and 0.305, respectively. The derived age of Alpha Cen is 4.6 +/-0.4 Gyr, very similar to the solar age of 4.5 Gyr.

Edmonds, Peter↗

Adaptive multigrid domain decomposition solutions for viscous interacting flows

Several viscous incompressible flows with strong pressure interaction and/or axial flow reversal are considered with an adaptive multigrid domain decomposition procedure. Specific examples include the triple deck structure surrounding the trailing edge of a flat plate, the flow recirculation in a trough geometry, and the flow in a rearward facing step channel. For the latter case, there are multiple recirculation zones, of different character, for laminar and turbulent flow conditions. A pressure-based form of flux-vector splitting is applied to the Navier-Stokes equations, which are represented by an implicit lowest-order reduced Navier-Stokes (RNS) system and a purely diffusive, higher-order, deferred-corrector. A trapezoidal or box-like form of discretization insures that all mass conservation properties are satisfied at interfacial and outflow boundaries, even for this primitive-variable, non-staggered grid computation.

Rubin, Stanley G.↗

Positrons from supernovae

Positrons are produced in the ejecta of supernovae by the decay of nucleosynthetic Co-56, Ti-44, and Al-26. We calculate the probability that these positrons can survive without annihilating in the supernova ejecta, and we show that enough of these positrons should escape into the interstellar medium to account for the observed diffuse Galactic annihilation radiation. The surviving positrons are carried by the expanding ejecta into the interstellar medium where their annihilation lifetime of 10 exp 5 - 10 exp 6 yr is much longer than the average supernovae occurrence time of about 100 yr. Thus, annihilating positrons from thousands of supernovae throughout the Galaxy produce a steady diffuse flux of annihilation radiation. We further show that combining the calculated positron survival fractions and nucleosynthetic yields for current supernova models with the estimated supernova rates and the observed flux of diffuse Galactic annihilation radiation suggests that the present Galactic rate of Fe-56 nucleosynthesis is about 0.8 +/- 0.6 solar mass per 100 yr.

Chan, Kai-Wing↗

Observations of Methane and Ethylene Diffusion Flames Stabilized Around a Blowing Porous Sphere Under Microgravity Conditions

This paper presents the experimental and theoretical results for expanding methane and ethylene diffusion flames in microgravity. A small porous sphere made from a low-density and low-heat-capacity insulating material was used to uniformly supply fuel at a constant rate to the expanding diffusion flame. A theoretical model which includes soot and gas radiation is formulated but only the problem pertaining to the transient expansion of the flame is solved by assuming constant pressure infinitely fast one-step ideal gas reaction and unity Lewis number. This is a first step toward quantifying the effect of soot and gas radiation on these flames. The theoretically calculated expansion rate is in good agreement with the experimental results. Both experimental and theoretical results show that as the flame radius increases, the flame expansion process becomes diffusion controlled and the flame radius grows as gamma t. Theoretical calculations also show that for a constant fuel mass injection rate a quasi-steady state is developed in the region surrounded by the flame and the mass flow rate at any location inside this region equals the mass injection rate.

Atreya, Arvind↗

Reduced Navier Stokes Relaxation Procedures for Internal Flows

In spite of significant advancement in the field of high speed computing, flow calculations involving complex geometries and/or flow behavior still require large amounts of CPU time and memory. In order to predict such flows without sacrificing grid convergence and accuracy, adaptive gridding techniques that provide optimal resolution are highly desirable. The present work combines multigrid techniques and domain decomposition concepts to provide local, solution adaptive, grid refinement. Several viscous compressible and incompressible, two and three-dimensional, flows with strong inviscid interaction and/or axial flow reversal, are considered with a segmented multigrid domain decomposition (SMGDD) procedure for which uniform meshes result in each domain. A pressure-based form of flux-vector splitting is applied to the Navier-Stokes equations, which are represented by an implicit lowest-order reduced Navier-Stokes (RNS) system and a purely diffusive, higher-order, deferred-corrector. A trapezoidal or box-like form of discretization insures that all mass conservation properties are satisfied at interfacial and outflow boundaries, even for this primitive-variable non-staggered grid computation. The SMGDD technique presented herein has previously been applied for incompressible two dimensional flows. The present work offers improvement in the gridding strategy, by allowing for disjoint subdomains that provide optimal resolution of disparate flow features. It also extends the SMGDD technique to three dimensional compressible flows. Laminar and turbulent flow in a backward facing step channel is considered; although the procedure is applicable to more severe geometries. The standard K-epsilon model is applied for turbulence closure. For Re greater than 400, differences between two-dimensional theory and experiment are resolved through a three dimensional simulation, which confirms the experimentally observed three dimensionality of the recirculation patterns on the upper and lower surfaces.

Rubin, Stanley G.↗

Crystallization and Initial X-Ray Diffraction Analysis of Human Pyruvate Dehydrogenase

Human pyruvate dehydrogenase (E1) is a component enzyme of the pyruvate dehydrogenase complex. The enzyme catalyzes the decarboxylation of pyruvate followed by a reductive acetylation of lipoyl groups of the dihydrolipoamide acetyltransferase component of the pyruvate dehydrogenase complex. El is an alpha(sub 2)Beta(sub 2) tetrameric assembly of an approximate molecular mass of 154 kDa. The crystals of this recombinant enzyme have been grown from polyethylene glycol 3350 using vapor diffusion method at 295K. The crystals are characterized as orthorhombic, space group P2(sub 1)2(sub 1)2(sub 1), with cell parameters of a = 64.2, b = 126.9 and c = 190.2 A. Crystals diffracted to a minimum d-spacing of 2.5 A. The asymmetric unit contains one alpha(sub 2)Beta(sub 2) tetrameric El assembly, and self-rotation function analysis showed a pseudo-twofold symmetry relating the two monomers.

Ciszak, Ewa↗

Photoevaporation of Disks Around Young Stars

Young massive stars produce sufficient Lyman continuum luminosity phi to have a significant effect on the structure and evolution of the accretion disks surrounding diem. We show that inside a critical disk radius r(sub g), an isothermal 10(exp 4) K atmosphere forms with a scale height that increases with r(sup3/2) for r less than or equal to r(sub g). For r less than or equal to r(sub g), the diffuse field caused by hydrogen recombinations to the ground state in the atmosphere produces a steadily evaporating disk. The mass loss from this outer region of the disk is of order 10(exp -5) Mo/yr phi(sub 49)1/2, where phi(sub 49) is defined as phi/10(exp 49) photons/s. The mass loss has two important consequences. First, the slow (10-50 km/s) wind that results may explain the long life of unresolved ultracompact HII regions. Secondly, the dependence on phi implies that accretion through the disk onto the star will be quenched once the photoevaporation rate exceeds the accretion rate. This may act to limit the mass of the forming star.

Hollenbach, David↗

Dusty Disks, Diffuse Clouds, and Dim Suns: Galactic Science with the Infrared Spectrograph on the Spitzer Space Telescope

The Infrared Spectrograph (IRS) on the Spitzer Space Telescope has now been in routine science operations since Dec. 14,2003. The IRS Science Team has used a portion of their guaranteed time to pursue three major science themes in galactic astronomy: the evolution of protostellar disks and debris disks; the composition and evolution of diffuse matter and clouds in the interstellar medium; and the composition and structure of brown dwarfs and low-mass main-sequence stars. We report here on the results from the first five months of IRS observations in these programs. Full IRS Spectra have already been obtained for large samples of YSO/protoplanetary disks in the Taurus and TW Hya associations, and or debris disks around main-sequence stars, in which many aspects of the evolution of planetary systems can be addressed for the first time. As anticipated, the mid-infrared IRS observations of brown dwarfs have yielded important new information about their atmospheres, including the identification of NH3 and measurements of new methane features. This work is based on observations made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under NASA contract 1407. Support for this work was provided by NASA's Office of Space Science.

Roellig, T. L.↗

EUPDF: Eulerian Monte Carlo Probability Density Function Solver for Applications With Parallel Computing, Unstructured Grids, and Sprays

The success of any solution methodology used in the study of gas-turbine combustor flows depends a great deal on how well it can model the various complex and rate controlling processes associated with the spray's turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates, as well as convective and radiative heat transfer and other phenomena. The phenomena to be modeled, which are controlled by these processes, often strongly interact with each other at different times and locations. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and evaporation in many practical combustion devices. The influence of turbulence in a diffusion flame manifests itself in several forms, ranging from the so-called wrinkled, or stretched, flamelets regime to the distributed combustion regime, depending upon how turbulence interacts with various flame scales. Conventional turbulence models have difficulty treating highly nonlinear reaction rates. A solution procedure based on the composition joint probability density function (PDF) approach holds the promise of modeling various important combustion phenomena relevant to practical combustion devices (such as extinction, blowoff limits, and emissions predictions) because it can account for nonlinear chemical reaction rates without making approximations. In an attempt to advance the state-of-the-art in multidimensional numerical methods, we at the NASA Lewis Research Center extended our previous work on the PDF method to unstructured grids, parallel computing, and sprays. EUPDF, which was developed by M.S. Raju of Nyma, Inc., was designed to be massively parallel and could easily be coupled with any existing gas-phase and/or spray solvers. EUPDF can use an unstructured mesh with mixed triangular, quadrilateral, and/or tetrahedral elements. The application of the PDF method showed favorable results when applied to several supersonic-diffusion flames and spray flames. The EUPDF source code will be available with the National Combustion Code (NCC) as a complete package.

Raju, M. S.↗

A burst from a thermonuclear runaway on an ONeMg white dwarf

Studies which examine the consequences of accretion, at rates of 10(exp -9) solar mass/yr and 10(exp -10) solar mass/yr, onto an ONeMg white dwarf with a mass of 1.35 solar masses are performed. In these studies, a Lagrangian, hydrodynamic, one-dimensional computer code was used. The code now includes a network with 89 nuclei up to Ca-40, elemental diffusion, new opacities, and new equation of state. The initial abundance distribution corresponded to a mixture that was enriched to either 25, 50, or 75 percent in products of carbon burning. The remaining material in each case is assumed to have a solar composition. The evolution of the thermonuclear runaway in the 1.35 solar mass white dwarf, with M = 10(exp -9) solar mass, produced peak temperatures in the shell source exceeding 300 million degrees. The sequence produced significant amounts of Na-22 from proton captures onto Ne-20 and significant amounts of Al-26 from proton captures on Mg-24. This sequence ejected 5.2 x 10(exp -6) solar mass moving with speeds from approximately 100 km/s to 2300 km/s. When the mass accretion rate was decreased to 10(exp -10) solar mass, the resulting thermonuclear runaway produced a shock that moved through the outer envelope of the white dwarf and raised the surface luminosity to L greater than 10(exp 7) solar luminosity and the effective temperature to values exceeding 10(exp 7) K. The interaction of the material expanding from off of the white dwarf with the accretion disk should produce a burst of gamma-rays.

Starrfield, S.↗

Thermodynamic Control of Interface Directs MnO 2 Nucleation Chemistry for Dense and Conformal Electrodeposition

Manganese dioxide (MnO 2 ) is widely recognized as a promising material for high-energy-density energy storage systems due to its broad applicability and facile electrodeposition. However, achieving uniform, thin, and high-mass-loading MnO 2 coatings on high-surface-area electrodes remains a significant challenge. Conventional electrodeposition methods typically yield nonuniform, thick layers with poor conductivity and limited material utilization, restricting their practical use. Here, we uncover a thermodynamically engineered vanadyl/pervanadyl (VO 2+ /VO 2 + ) interface that fundamentally reshapes MnO 2 electrodeposition chemistry, enabling highly uniform and dense coatings. Here, combining in situ AFM measurement, Classical Nucleation Theory, and Johnson–Mehl–Avrami–Kolmogorov modeling, we show that this interface reduces early-stage detectable MnO 2 island size by 35-fold and shifts the MnO 2 growth from diffusion-limited to reaction-limited progressive nucleation. This thermodynamically controlled interface yields highly dense and conformal MnO 2 films with record-high mass loading of 241 mg cm –2 (1607 mg cm –3 ) on 3D-printed graphene aerogels, without compromising porosity or inducing thickness gradient. As a prototype demonstration, the resulting MnO 2 electrodes deliver record-setting volumetric performance in both capacitors (106 F cm –3 ) and Zn//MnO 2 pouch cells (162 mAh cm –3 ). Beyond energy storage, our findings demonstrate the significance of thermodynamic interface control in MnO 2 nucleation chemistry for achieving dense and uniform coatings on various substrates, with implications for electrocatalysis, semiconductor processing, and advanced materials manufacturing.

Batteries↗

Decoupling Li out-diffusion and surface diffusion in the lithiation-assisted epitaxial growth of lithium tungstate

Lithiation-assisted epitaxy offers a flexible and robust approach for synthesizing high-quality Li-containing materials and interfaces with precise control. Here, in this study, we use lithium tungstate (Li x WO 3+x/2 , where x = 0 to 2) as a model system to investigate the intertwined effects of Li out-diffusion-induced compositional changes and surface-diffusion-induced morphological changes. By systematically varying synthesis and processing conditions, we uncover their impact on lithium tungstate film formation. Comprehensive characterizations, including X-ray diffraction, atomic force microscopy, X-ray photoemission spectroscopy and time-of-flight secondary ion mass spectrometry, reveal that low-temperature growth (< 300 °C) followed by high-temperature annealing yields continuous lithium tungstate films with significantly reduced surface roughness. In contrast, high-temperature deposition (≥ 300 °C) accelerates surface diffusion and Li out-diffusion, leading to island formation. Furthermore, in situ scanning transmission electron microscopy demonstrates the beam sensitivity of Li 2 WO 4 and reveals a phase transition from Li 2 WO 4 to LiWO 3.5 under prolonged electron beam exposure. These findings deepen our understanding of how to control composition and morphology of Li-containing films, providing valuable insights for the design and integration of energy materials.

Shi, Jueli [Pacific Northwest National Laboratory ↗

A Full Navier-Stokes Analysis of Subsonic Diffuser of a Bifurcated 70/30 Supersonic Inlet for High Speed Civil Transport Application

A full Navier-Stokes analysis was performed to evaluate the performance of the subsonic diffuser of a NASA Lewis Research Center 70/30 mixed-compression bifurcated supersonic inlet for high speed civil transport application. The PARC3D code was used in the present study. The computations were also performed when approximately 2.5 percent of the engine mass flow was allowed to bypass through the engine bypass doors. The computational results were compared with the available experimental data which consisted of detailed Mach number and total pressure distribution along the entire length of the subsonic diffuser. The total pressure recovery, flow distortion, and crossflow velocity at the engine face were also calculated. The computed surface ramp and cowl pressure distributions were compared with experiments. Overall, the computational results compared well with experimental data. The present CFD analysis demonstrated that the bypass flow improves the total pressure recovery and lessens flow distortions at the engine face.

Kapoor, Kamlesh↗

Observation of the Jet Diffusion Wake Using Dijets in Heavy-Ion Collisions

Energetic quarks and gluons traversing a hot and dense quark-gluon plasma deposit energy and momentum into the medium before hadronizing to collimated sprays of particles, known as jets. This energy-momentum deposition is expected to produce medium responses, collectively known as jet wakes, with “diffusion wake” denoting a depletion of particles in the direction opposite to the propagating jet. The diffusion wake is studied by comparing dijet-hadron correlations measured in lead-lead (PbPb) and proton-proton (pp) collisions. The analysis uses PbPb and pp data recorded at a nucleon-nucleon (NN) center-of-mass energy s NN = 5.02 TeV with the CMS detector at the CERN LHC. By exploring how the dijet-hadron correlation distributions differ for various pseudorapidity separations of the two jets in the dijet, the presence of a jet diffusion wake is firmly established. The diffusion wake signal has a significance greater than 5 standard deviations for charged particles in the transverse momentum range 1 < p T < 2 GeV . The measurements are compared with model predictions with and without jet wake effects, providing new insights into quark-gluon plasma properties and the formation of jet-induced wakes.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗

Microstructural features and deuterium diffusion in lithium penta-aluminate pellets under He + and D + ion irradiation

Lithium (Li) penta-aluminate (LiAl 5 O 8 ) is investigated as a potential tritium (T) breeding material, with a focus on microstructural response to ion irradiation and deuterium (D) diffusion behavior. Under high-fluence ion irradiation (2 x 10 17 (He + +D + )/cm 2 ) at 773 K, LiAl 5 O 8 exhibits significant disorder on the Li sublattice, as revealed by atomic-resolution scanning transmission electron microscopy, while the Al and O sublattices remain stable, demonstrating strong resistance to structural amorphization. Irradiation induces the formation of platelet-shaped antiphase boundaries (APBs), which may serve as effective D trapping sites. Atom probe tomography suggests the presence of 6 LiD clusters in the mass spectra, though definite conclusions regarding APB composition are hindered by signal overlap and limited data statistics. Time-of-flight secondary ion mass spectrometry reveals that D retention approaches to saturation at 3 x 10 17 (He + +D + )/cm 2 . Isothermal and isochronal annealing studies determine an average diffusivity of 1.6 x 10 -13 at 773 K and an effective activation energy of 0.8 ± 0.1 eV for D migration. Compared to γ-LiAlO 2 , LiAl 5 O 8 demonstrates superior irradiation resistance, minimal Li loss, and enhanced D retention, underscoring its potential as a durable breeder material for T production. In conclusion, these findings provide key insights into the microstructural evolution, defect dynamics, and D retention mechanisms in LiAl 5 O 8 under reactor-relevant conditions.

42 ENGINEERING↗

Silicon Solar Cell Process Development, Fabrication and Analysis

Solar cells were constructed from polycrystalline silicon sheet material (10 cm x 10 cm). These cells were made using conventional aerospace methods and serve as the so-called baseline cell for analysis and comparison with cells to be made from similar material, but using optimized processing techniques. Before and during the processing of the baseline cells in a cleaned diffusion tube, control cells were built using the baseline method. All cells were measured on a solar simulator at air mass zero and 28 C. Average efficiency for the baseline cells was 9.5%. Efficiency was found to vary with location in the sheet. Center regions had higher efficiencies whereas corner and edge regions had lower efficiencies. In general, the efficiency falls off with distance from the center of the sheet.

Minahan, J. A.↗

Measuring Hydrogen Properties in Aluminum

System in use at Langley Research Center measures concentration and diffusion coefficient of hydrogen in pure aluminum. Principal components are high-temperature ultra-high-vacuum furnace and quadrupole mass spectrometer. Quantities of hydrogen and other gases that evolve from heated metal are measured in real time and correlated with data on aluminum porosity.

Outlaw, R. A.↗