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At least 1,135 records · Page 63

Film-cooling effectiveness with developing coolant flow through straight and curved tubular passages

The data were obtained with an apparatus designed to determine the influence of tubular coolant passage curvature on film-cooling performance while simulating the developing flow entrance conditions more representative of cooled turbine blade. Data comparisons were made between straight and curved single tubular passages embedded in the wall and discharging at 30 deg angle in line with the tunnel flow. The results showed an influence of curvature on film-cooling effectiveness that was inversely proportional to the blowing rate. At the lowest blowing rate of 0.18, curvature increased the effectiveness of film cooling by 35 percent; but at a blowing rate of 0.76, the improvement was only 10 percent. In addition, the increase in film-cooling area coverage ranged from 100 percent down to 25 percent over the same blowing rates. A data trend reversal at a blowing rate of 1.5 showed the straight tubular passage's film-cooling effectiveness to be 20 percent greater than that of the curved passage with about 80 percent more area coverage. An analysis of turbulence intensity detain the mixing layer in terms of the position of the mixing interface relative to the wall supported the concept that passage curvature tends to reduce the diffusion of the coolant jet into the main stream at blowing rates below about. Explanations for the film-cooling performance of both test sections were made in terms differences in turbulences structure and in secondary flow patterns within the coolant jets as influenced by flow passage geometry.

Papell, S. S.↗

Complex Dependence of Calcite Crack Kinetics on Salinity: The Role of DLVO and Hydration Forces

Abstract Subcritical crack growth (SCG) plays an important role in many geological processes such as delayed earth rupture and rock weathering. The complex dependency of SCG on the in‐crack fluid chemistry, however, is still poorly understood. In this study, we utilize the newly developed surface force‐based fracture theory (SFFT) to elucidate the relative contributions of surface forces and solute transport to the crack growth kinetics of calcite in NaCl solutions. Expanding on Barenblatt's cohesive crack model, SFFT introduces an effective stress intensity at the crack tip that encompasses all the relevant intermolecular forces across the crack in addition to the external far‐field stresses. The nonlinear system of equations portraying the crack opening profile, the solute distribution in a propagating crack, and the crack growth velocity are numerically solved via an implicit scheme. After carefully calibrating the model for calcite‐water systems, the SFFT is used to predict the SCG response of calcite at different NaCl concentrations, based on various hypotheses. These predictions are then compared to existing SCG data from the literature. We demonstrate that the experimentally observed variation of SCG rate with NaCl concentration cannot be explained solely by DLVO forces (electrostatic and Van der Waals interactions). This can be remediated by introducing an exponentially decaying hydration force with a nonlinear, nonmonotonic dependence on NaCl concentration. Furthermore, we demonstrate that accounting for both diffusive and advective transport of ions is important in explaining the absence of a stage‐II SCG response for calcite in electrolyte solutions. Plain Language Summary Subcritical crack growth (SCG) refers to the slow propagation of cracks in materials under a stress below the threshold for catastrophic failure. SCG is a key process in many geological events, for example, delayed earth ruptures and rock weathering. New initiatives such as underground CO 2 and H 2 storage in carbonate reservoirs further call for better understanding of SCG in carbonate minerals subjected to varying fluid chemistry. This study examines the SCG of calcite, a key mineral found in carbonate rocks, intergranular cement in sandstones, and filling material in mineral veins and faults, determining their deformation and strength. A mathematical model is developed to describe how the crack opens and propagates, how solutes (like salts) distribute within the crack, and how the crack surfaces interact with each other. We used the model to predict calcite SCG in water at different salt concentrations and compared it with experimental data. Our results revealed that the hydration force is the dominating factor in determining the complex, non‐linear dependency of SCG on salinity. We also found that both the movement of ions by diffusion and by bulk water flow are crucial for explaining the SCG rates, especially when the cracks grow quickly. Key Points Surface Force‐Based Fracture Theory predicts the complex subcritical crack growth patterns of calcite crystals immersed in NaCl solutions Results highlight the dominant role of hydration forces in altering the fracture behavior of calcite compared to VdW and electric double‐layer forces Advective solute transport explains the absence of stages‐II and ‐III subcritical crack growth responses in solid‐liquid systems

DLVO↗

Modeling of outgassing and matrix decomposition in carbon-phenolic composites

A new release rate equation to model the phase change of water to steam in composite materials was derived from the theory of molecular diffusion and equilibrium moisture concentration. The new model is dependent on internal pressure, the microstructure of the voids and channels in the composite materials, and the diffusion properties of the matrix material. Hence, it is more fundamental and accurate than the empirical Arrhenius rate equation currently in use. The model was mathematically formalized and integrated into the thermostructural analysis code CHAR. Parametric studies on variation of several parameters have been done. Comparisons to Arrhenius and straight-line models show that the new model produces physically realistic results under all conditions.

Mcmanus, Hugh L.↗

Performance characteristics of two annular dump diffusers using suction-stabilized vortex flow control

The two diffusers employed in the investigation had the same overall area ratio but different prediffuser area ratios and suction slot geometries. Velocity profile and diffuser pressure recovery performance data were obtained at ambient pressure and temperature, with inlet Mach numbers ranging from 0.18 to 0.41 and suction rate varying from zero to 18% of total inlet mass flow rate. On the basis of the reported investigation it is concluded that suction stabilized vortex flow diffusers show promise for application in combustors because of relatively high static pressure recovery and low total pressure loss obtained in a short length. Performance obtained using a narrow angle (7 degree) prediffuser was superior to that obtained with a prediffuser having a 14 degree included angle.

Juhasz, A. J.↗

Defect-Driven Oxide Transformations and the Electrochemical Interphase

The redox reaction pathway is crucial to the sustainable production of the fuels and chemicals required for a carbon-neutral society. Our society is becoming increasingly dependent on devices using batteries and electrolyzers, all of which rely on a series of redox reactions. The overall properties of oxide materials make them very well suited for such electrochemical and catalytic applications due to their associated cationic redox properties and the static site-adsorbate interactions. As these technologies have matured, it has become apparent that defect-driven redox reactions, defect-coupled diffusion, and structural transformations that are both time- and rate-dependent are also critical materials processes. This change in focus, considering not only redox properties but also more complex, dynamic behaviors, represents a new research frontier in the molecular sciences as they are strongly linked to device operation and degradation and lie at the heart of various phenomena that take place at electrochemical interfaces. Fundamental studies of the structural, electronic, and chemical transformation mechanisms are key to the advancement of materials and technological innovations that could be implemented in various electrochemical systems. In this Account, we focus on recent studies and advances in characterizing and understanding the dynamic redox evolution and structural transformations that take place in model perovskites and layered oxides under reactive conditions and correlate them with degradation mechanisms and operations in electrolyzers and batteries. We show that the dynamic evolution of oxygen vacancies and cationic migration in the surface or bulk occurs at the solid-liquid interface, using a combination of different synchrotron-based Xray spectroscopies and scattering probes. Detailed redox-structure-reactivity correlation studies show how defects and diffusion processes can be tailored to drive various physical and chemical transformations in electrolyzers and batteries. We also highlight a strong correlation between oxygen redox reactivity and structural reorganization in both model thin films and particles, helping to bridge the gap between fundamental studies of the reaction mechanism and device applications. Finally, on the basis of these findings, we discuss strategies to probe and tune the redox reactivity and structural stability of the redox-active oxide interphase toward devising efficient pathways for energy and chemical harvesting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydrogen permeation, diffusion and solubility in IN-100 and Waspaloy

An attempt has been made to determine the permeation rate of hydrogen in IN-100 and Waspaloy by determining the evolution rate of hydrogen from a closed capsule of the test materials. Enclosed vanadium hydride was the source of hydrogen in the capsule. The presentation discusses the treatment of data and assesses the validity of the techniques in permeation measurement. In addition to permeation experiments, the solubility and diffusion of hydrogen in IN-100 and Waspaloy were also determined. For hydrogen diffusion in Waspaloy, Delta H was 38.5 kJ and D(0) was 0.0026 sq cm/sec. For IN-100, Delta H was 68.2 kJ and D(0) was 0.059 sq cm /sec. Both IN-100 and Waspaloy exhibited limited solubility of hydrogen at pressures up to 340 atmospheres hydrogen.

Khan, A. S.↗

The growth and nanothermite reaction of 2Al/3NiO multilayer thin films

Nanothermite NiO–Al is a promising material system for low gas emission heat sources; still, its reactive properties are highly dependent on material processing conditions. In the current study, sputter deposition is used to fabricate highly controlled nanolaminates comprised of alternating NiO and Al layers. Films having an overall stoichiometry of 2Al to 3NiO were produced with different bilayer thicknesses to investigate how ignition and self-sustained, high temperature reactions vary with changes to nanometer-scale periodicity and preheat conditions. Ignition studies were carried out with both hot plate and laser irradiation and compared to slow heating studies in hot-stage x-ray diffraction. Ignition behavior has bilayer thickness and heating rate dependencies. The 2Al/3NiO with λ ≤ 300 nm ignited via solid/solid diffusion mixing (activation energy, E a = 49 ± 3 kJ/mole). Multilayers having λ ≥ 500 nm required a more favorable mixing kinetics of solid/liquid dissolution into molten Al (E a = 30 ± 4 kJ/mole). This solid/liquid dissolution E a is a factor of 5 lower than that of the previously reported powder compacts due to the elimination of a passivating Al oxide layer present on the powder. The reactant mixing mechanism between 300 and 500 nm bilayer thicknesses was dependent on the ignition source's heating rate. The self-propagating reaction velocities of 2Al/3NiO multilayers varied from 0.4 to 2.5 m/s. Pre-heating nanolaminates to temperatures below the onset reaction temperatures associated with forming intermediate nickel aluminides at multilayer interfaces led to increased propagation velocities, whereas pre-heating samples above the onset temperatures inhibited subsequent attempts at laser ignition.

36 MATERIALS SCIENCE↗

Numerical simulations of turbulent premixed H2/O2/N2 flames with complex chemistry

Premixed stoichiometric H2/O2/N2 flames propagating in two-dimensional turbulence were studied using direct numerical simulation (simulations in which all fluid and thermochemical scales are fully resolved) including realistic chemical kinetics and molecular transport. Results are compared with earlier zero-chemistry (flame sheet) and one-step chemistry simulations. Consistent with the simpler models, the turbulent flame with realistic chemistry aligns preferentially with extensive strain rates in the tangent plane and flame curvature probability density functions are close to symmetric with near-zero means. By contrast to simple-chemistry results with non-unity Lewis numbers (ratio of thermal to species diffusivity), local flame structure does not correlate with curvature but rather with tangential strain rate. Turbulent straining results in substantial thinning of the flame relative to the steady unstrained laminar case. Heat release and H2O2 contours remain thin and connected ('flamelet-like') while species including H-atom and OH are more diffuse. Peak OH concentration occurs well behind the peak heat-release zone. The feasibility of incorporating realistic chemistry into full turbulence simulations to address issues such as pollutant formation in hydrocarbon-air flames is suggested.

Baum, M.↗

Increased light-emission efficiency in disordered (In, Ga)N through the correlated reduction of recombination rates

Experiments have shown that the light-emission efficiency of indium gallium nitride (InGaN) lightemitting diodes improves with increasing indium concentration. It is widely thought that compositional fluctuations due to indium incorporation suppress diffusion of carriers to non-radiative centers, thus leading to defect-insensitive emission. However, recent experiments have challenged this hypothesis by revealing unexpectedly long diffusion lengths at room temperature. Here, we demonstrate an alternative mechanism involving the correlated reduction in radiative and nonradiative recombination rates that explains the increase in light-emission efficiency of InGaN with increasing indium concentration, without invoking the suppression of carrier diffusion. Furthermore, our analysis challenges the notion that carrier localization gives rise to defect tolerance in InGaN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydrodynamic behavior of wrapped coil water heater tank

In this work, a numerical investigation using computational fluid dynamics (CFD) has been carried out to analyze the thermal behavior of a water tank integrated to a heat pump water heating system (HPWH). The heat pump condenser is a long coil wrapped around the water tank and insulated from outside from which heat is transferred from the heat pump cycle into the water stored inside the tank. The simulated water tank has a capacity of about 170 L with the charging inlet located at the bottom segment of the tank and the discharging outlet located at the top segment of the tank like commercially available water heaters. The tank was simulated during charging/discharging process with isothermal boundary condition at the tank wall to represent the majority of the process for refrigerant condensation inside the heat pump condenser (excluding superheated and sub-cooled section). Three flow rates were selected to represent low, medium and high flow pattern. Both mean and turbulent flow properties were calculated and analyzed. Heat transfer mechanisms inside the tank are quantified by calculating Richardson and Péclet numbers to show the relative contribution of driving forces. The calculations show that advection is dominant over diffusion. Mixing factor is calculated and presented. It is found that the rate of increase of mixing is nonlinear with the increase in flow rate. Mixing increased by a factor of four when the flow rate increased by a factor of two.

stratification↗

Reaction of cobalt in SO2 atmospheric at elevated temperatures

The reaction rate of cobalt in SO2 argon environments was measured at 650 C, 700 C, 750 C and 800 C. Product scales consist primarily of an interconnected sulfide phase in an oxide matrix. At 700 C to 800 C a thin sulfide layer adjacent to the metal is also observed. At all temperatures, the rapid diffusion of cobalt outward through the interconnected sulfide appears to be important. At 650 C, the reaction rate slows dramatically after five minutes due to a change in the distribution of these sulfides. At 700 C and 750 C the reaction is primarily diffusion controlled values of diffusivity of cobalt (CoS) calculated from this work show favorable agreement with values of diffusivity of cobalt (CoS) calculated from previous sulfidation work. At 800 C, a surface step becomes rate limiting.

Jacobson, N. S.↗

Reaction of cobalt in SO2 atmospheres at elevated temperatures

The reaction rate of cobalt in SO2 argon environments was measured at 650 C, 700 C, 750 C and 800 C. Product scales consist primarily of an interconnected sulfide phase in an oxide matrix. At 700 C to 800 C, a thin sulfide layer adjacent to the metal is also observed. At all temperatures, the rapid diffusion of cobalt outward through the interconnected sulfide appears to be important. At 650 C, the reaction rate slows dramatically after five minutes due to a change in the distribution of these sulfides. At 700 C and 750 C, the reaction is primarily diffusion controlled; values of diffusivity of cobalt (CoS) calculated from this work show favorable agreement with values of diffusivity of cobalt (CoS) calculated from previous sulfidation work. At 800 C, a surface step becomes rate limiting. Previously announced in STAR as N83-35104

Jacobson, N. S.↗

Behavior of bubbles in glassmelts. II - Dissolution of a stationary bubble containing a diffusing and a nondiffusing gas

The effect of a foreign nondiffusing gas on the rate of shrinkage of an oxygen bubble in a soda-lime-silica melt was studied. The rate of change of bubble radius with time was computed using the quasi-stationary approximation. The effects of melt undersaturation and initial fraction of foreign gas in the bubble are considered and compared with those calculated using previously derived expressions.

Weinberg, M. C.↗

N-Terminal Decarboxylation as a Probe for Intramolecular Contact Formation in $γ$-Glu-(Pro) n -Met Peptides

The kinetics of intramolecular-contact formation between remote functional groups in peptides with restricted conformational flexibility were examined using designed peptides with variable-length proline bridges. As probes for this motion, free radicals were produced using the • OH-induced oxidation at the C-terminal methionine residue of γ-Glu-(Pro) n -Met peptides ( n = 0–3). The progress of the radicals’ motion along the proline bridges was monitored as the radicals underwent reactions along the peptides’ backbones. Of particular interest was the reaction between the sulfur atom located in the side chain of the oxidized Met residue and the unprotonated amino group of the glutamic acid moiety. Interactions between them were probed by the radiation-chemical yields (expressed as G values) of the formation of C-centered, α-aminoalkyl radicals (αN) on the Glu residue. These radicals were monitored directly or via their reaction with p -nitroacetophenone (PNAP) to generate the optically detected PNAP •– radical anions. The yields of these αN radicals were found to be linearly dependent on the number of Pro residues. A constant decrease by 0.09 μM J –1 per spacing Pro residue of the radiation-chemical yields of G (αN) was observed. Previous reports support the conclusion that the αN radicals in these cases would have to result from (S$\therefore$N) + -bonded cyclic radical cations that arose as a result from direct contact between the ends of the peptides. Furthermore, by analogy with the rate constants for the formation of intramolecularly (S$\therefore$S) + -bonded radical cations in Met-(Pro) n -Met peptides ( J. Phys. Chem. B 2016 , 120 , 9732), the rate constants for the formation of intramolecularly (S$\therefore$N) + -bonded radical cations are activated to the same extent for all of the γ-Glu-(Pro) n -Met peptides. Thus, the continuous decrease of G (αN) with the number of Pro residues (from 0 to 3) suggests that the formation of a contact between the S-atom in the C-terminal Met residue and the N-atom of a deprotonated N-terminal amino group of Glu is controlled in peptides with 0 to 3 Pro residues by the relative diffusion of the S •+ and unoxidized N-atom. The overall rate constants of cyclization to form the (S$\therefore$N)-bonded radical cations were estimated to be 3.8 × 10 6 , 1.8 × 10 6 , and 8.1 × 10 5 s –1 for peptides with n = 0, 1, and 2 Pro residues, respectively. If activation is the same for all of the peptides, then these rate constants are a direct indication for the end-to-end dynamics along the chain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Growth and characterization of Hg(1-x)Cd(x)Se alloys

A detailed evaluation of the influence of growth conditions on the radial and axial compositional variations in directionally solidified Hg(1-x)Cd(x)Se alloys was performed. The measured axial compositional profiles were fitted to theoretical profiles to determine the effective solute (CdSe) diffusion coefficient (D) for the Hg(1-x)Cd(x)Se system. The value for D was estimated to be 3.0 + or - 0.5 x 10 to the -5th sq cm/s and did not appear to be significantly affected by the rate of crystal growth. The axial crystal uniformity was shown to be highly growth-rate dependent, with the faster growth rates producing crystals of more uniform composition in the axial direction. The magnitude of the radial variations was also shown to be highly growth-rate dependent, with the slower growth rates producing crystals of greater radial uniformity. This translation rate dependence of the radial uniformity is discussed in terms of lateral solute diffusion and convective interfacial fluid flows.

Andrews, R. N.↗

A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H 2 O

Adsorption is an important step in heterogeneous catalysis as it predetermines how many reactant molecules can participate in a surface reaction per unit time. While the rate of adsorption processes is well studied in gas–solid adsorption in both theory and experiment, such rates are still not well studied for liquid–solid adsorption. This is partly because the ever-changing configurations of liquid-phase solvent molecules impede the ability to study a molecule approaching a surface from a liquid phase by either experiment or theory. In this work, we develop a method using molecular dynamics (MD) simulations to study the rate of adsorption in liquid–solid adsorption processes. Specifically, we use MD to model the diffusion of a methanol molecule in aqueous solvent and its adsorption to a Pt(111) surface. We find that by approximating the solute motion as following the same displacement rates as a random walk model, the adsorbed and non-adsorbed states of the methanol molecule near the Pt(111) surface can be discerned and quantified. In particular, this methodology enables extracting a sticking coefficient and a macroscopically relatable adsorption rate. This method can be applied to arbitrary types of reactants and surfaces, as well as different liquid environments, thus providing a general tool for predicting quantitative adsorption rates of liquid–solid adsorption systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Investigation of the Icing and Heated-air De-icing Characteristics of the R-2600-13 Induction System

A laboratory investigation was made on a Holley 1685-HB carburetor mounted on an R-2600-13 supercharger assembly to determine the icing characteristics and the heated-air de-icing requirements of this portion of the B-25D airplane induction system. Icing has been found to be most prevalent at relatively small throttle openings and, consequently, all runs were made at simulated 60-percent normal rated power condition. Icing characteristics were determined during a series of 15-minute runs over a range of inlet-air conditions. For the de-icing investigation severe impact ice was allowed to form in the induction system and the time required for the recovery of 95 percent of the maximum possible air flow at the original throttle setting was then determined for a range of wet-bulb temperatures. Results of these runs showed that ice on the walls of the carburetor adapter and on the rim of the impeller-shroud portion of the supercharger diffuser plate did not affect engine operation at 60-percent normal rated power. Ice that adversely affected the air flow and the fuel-air ratio was formed only on the central web of the carburetor and then only when the inlet air was saturated or contained free moisture in excess of saturation. No serious ice formations were observed at inlet-air temperatures above 66 0 F or with an inlet-air enthalpy greater than 34 Btu per pound. The maximum temperature at. which any trace of icing could be detected was 1110 F with a relative humidity of approximately 28 percent, The air-flow recovery time for emergency de-icing was 0.3 minute for.an enthalpy of 35 Btu per pound or wet-bulb temperature of 68 0 F. Further increase in enthalpy and wet-bulb temperature above these values resulted in very slight improvement in recovery time. The fuel-air ratio restored by a 5-Minute application of heated air was approximately 7 percent less than the initial value for cold-air conditions.

Chapman, Gilbert E.↗

Estimating Net Primary Productivity Using Satellite and Ancillary Data

The net primary productivity (C) or annual rate of carbon accumulation per unit ground area by terrestrial plant communities is the difference of the rate of gross photosynthesis (A(sub g)) and autotrophic respiration (R) per unit ground area. Although available observations show that R is a large and variable fraction of A(sub g), viz., 0.3 to 0.7, it is generally recognized that much uncertainties exist in this fraction due to difficulties associated with the needed measurements. Additional uncertainties arise when these measurements are extrapolated to regional or global land surface using empirical equations, for example, using regression equations relating C to mean annual precipitation and air temperature. Here, a process-based approach has been taken to calculate A(sub g) and R using satellite and ancillary data. A(sub g) has been expressed as a product of radiation use efficiency, magnitude of intercepted photosynthetically active radiation (PAR), and normalized by stresses due to soil water shortage and air temperature away from the optimum range. A biophysical model has been used to determine the radiation use efficiency from the maximum rate of carbon assimilation by a leaf, foliage temperature, and the fraction of diffuse PAR incident on a canopy. All meteorological data (PAR, air temperature, precipitation, etc.) needed for the calculation are derived from satellite observations, while a land use, land cover data (based on satellite and ground measurements) have been used to assess the maximum rate of carbon assimilation by a leaf of varied cover type based on field measurements. R has been calculated as the sum of maintenance and growth components. The maintenance respiration of foliage and live fine roots at a standard temperature of different land cover has been determined from their nitrogen content using field and satellite measurements, while that of living fraction of woody stem (viz., sapwood) from the seasonal maximum leaf area index as determined from satellite observations. These maintenance respiration values were then adjusted to that corresponding to air temperature according to a prescribed non-linear variation of respiration with temperature. The growth respiration has been calculated from the difference of Ag and maintenance respiration, according to the two-compartment model. The results of calculations will be reported for 36 consecutive months (1987-1989) over large contiguous areas (ca. 10(exp 5) sq km) Of agricultural land and tropical humid evergreen forests, and compared with available field data.

Choudhury, B. J.↗