Determination of solid-liquid phase equilibria in hydrocarbon systems
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Neveu, M. C.↗
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Phase relationships in Fe-Ni alloys at high pressures and temperatures
Diffusionless phase transformations in Fe-Ni alloys with up to 35 wt pct Ni were studied using resistance-heated diamond anvil cells and synchrotron radiation. At temperatures up to 600 C and pressures up to 25 GPa, Fe-35 percent Ni showed only the face-centered cubic (fcc) phase while Fe-25 percent Ni and Fe-10 percent Ni showed the body-centered cubic (bcc) and hexagonal close-packed (hcp) phases in addition to the fcc phase. The phase relationships of these solid phases are topologically similar to those of pure iron. The triple point becomes lower in temperature, and the slope (dT/dP) of the fcc/hcp boundary decreased as Ni-content increases in the alloys. From these results it is inferred that Fe-Ni alloys in the earth's inner core might exist as two phases, fcc and hcp. The existence of these two phases could have played an important role in the separation of the inner and outer core.
Huang, Eugene↗
Free energy change of off-eutectic binary alloys on solidification
A formula for the free energy difference between the undercooled liquid phase and the stable solid phase is derived for off-eutectic binary alloys in which the equilibrium solid/liquid transition takes place over a certain temperature range. The free energy change is then evaluated numerically for a Bi-25 at. pct Cd alloy modeled as a sub-subregular solution.
Ohsaka, K.↗
Fourier transform-infrared studies of thin H2SO4/H2O films: Formation, water uptake, and solid-liquid phase changes
Fourier transform-infrared (FTIR) spectroscopy was used to examine films representative of stratospheric sulfuric acid aerosols. Thin films of sulfuric acid were formed in situ by the condensed phase reaction of SO3 with H2O. FTIR spectra show that the sulfuric acid films absorb water while cooling in the presence of water vapor. Using stratospheric water pressures, the most dilute solutions observed were greater than 40 wt % before simultaneous ice formation and sulfuric acid freezing occurred. FTIR spectra also revealed that the sulfuric acid films crystallized mainly as sulfuric acid tetrahydrate (SAT). Crystallization occurred either when the composition was about 60 wt% H2SO4 or after ice formed on the films at temperatures 1-4 K below the ice frost point. Finally, we determined that the melting point for SAT depended on the background water pressure and was 216-219 K in the presence of 4 x 10(exp -4) Torr H2O. Our results suggest that once frozen, sulfuric acid aerosols in the stratosphere are likely to melt at these temperatures, 30 K colder than previously thought.
Middlebrook, Ann M.↗
Shear-Sensitive Liquid Crystal Coating Method: Surface-Inclination Effects on Shear Vector Measurements
The shear-sensitive liquid crystal coating (SSLCC) method is an image-based technique for both visualizing dynamic surface-flow phenomena, such as transition and separation, and for measuring the continuous shear-stress vector distribution acting on an aerodynamic surface. Under proper lighting and viewing conditions (discussed below), the coating changes color in response to an applied aerodynamic shear. This color-change response is continuous and reversible, with a response time of milliseconds, and is a function of both the shear magnitude and the shear vector orientation relative to the observer. The liquid crystal phase of matter is a weakly-ordered, viscous, non-Newtonian fluid state that exists between the nonuniform liquid phase and the ordered solid phase of certain organic compounds. Cholesteric liquid crystal compounds possess a helical molecular arrangement that selectively scatters white light, incident along the helical axis, as a three-dimensional spectrum. This property is linked to the helical pitch length, which is within the range of wavelengths in the visible spectrum. The pitch length, and hence the wavelength of the scattered light, is influenced by shear stress normal to the helical axis. This unique optical property produces a measurable color change in response to an applied shearing force. The full-surface shear stress vector measurement method, developed at NASA-Ames, is schematically illustrated. As with the visualization method, the coated test surface is illuminated from the normal direction with white light and the camera is positioned at an above-plane view angle of approximately 30 deg. Experiments have been initiated at NASA Ames to begin the process of quantifying surface-inclination (surface-curvature) effects on shear vector measurement accuracy. In preliminary experiments, surface-inclination angles theta(sub x), theta(sub y) of 0, +/-5, +/-10, and +/-15 deg were employed. In this arrangement, white-light illumination was positioned normal to the untilted test surface, and the camera above-plane view angle was set at 30 deg relative to the untilted test surface. As can be seen, vector-aligned lambda(sub d) values showed no dependence on theta(sub x) or theta(sub y) for absolute values of these tilt angles is less than or equal to 15 deg. Acquisition and analyses of full-surface color images are presently underway to definitively document the insensitivity limits of the shear vector measurement methodology to surface-slope variations.
Reda, Daniel C.↗
Infrared Spectroscopy as a Chemical Fingerprinting Tool
Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. The technique is rapid, reproducible and usually non-invasive. With the appropriate accessories, the technique can be used to examine samples in either a solid, liquid or gas phase. Solid samples of varying sizes and shapes may be used, and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be examined. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Both aqueous and non-aqueous free-flowing solutions can be analyzed using appropriate IR techniques, as can viscous liquids such as heavy oils and greases. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.
Huff, Tim↗
Extraterrestrial Radiation Chemistry and Molecular Astronomy
Astronomical observations of both solar system and interstellar regions have revealed a rich chemical inventory that includes most classes of organic molecules and selected inorganics. For example, gas-phase ethylene glycol and SOz have been observed by astronomers, while solidphase detections include OCS, H2O2 , and the cyanate anion.' All of these are found in environments that are, by earthly standards, exceedingly hostile: temperatures of 10 - 100 K, miniscule densities, and near-ubiquitous ionizing-radiation fields. Beyond the simplest chemical species, these conditions have made it difficult-to-impassible to account for the observed molecular abundances using gas-phase chemistry, suggesting solid-phase reactions play an important role. In extraterrestrial environments, cosmic rays, UV photons, and magnetospheric radiation all drive chemical reactions, even at cryogenic temperatures. To study this chemistry, radiation astrochemists conduct experiments on icy materials, frozen under vacuum and exposed to sources such as keV electrons and MeV protons. Compositional changes usually are followed with IR spectroscopy and, in selected cases, more-sensitive mass-spectral techniques. This talk will review some recent results on known and suspected extraterrestrial molecules and ions. Spectra and reaction pathways will be presented, and predictions made for interstellar chemistry and the chemistry of selected solar system objects. Some past radiation-chemical contributions, and future needs, will be explored.
Hudson, Reggie L.↗
Phase II Solid Waste Management Unit (SWMU) Assessment Work Plan Center Wide Per- and Polyfluoroalkyl Substances (PFAS) Potential Release Location (PRL) 237 Kennedy Space Center, Florida
This document presents a description of solid waste management unit (SWMU) assessment activities that will be used to identify additional locations where per- and polyfluoroalkyl substances (PFAS) may have been used at the Kennedy Space Center (KSC). The activities described herein will also be used to identify potential off-Center sources of PFAS and potential background locations for PFAS within KSC.
Krista D Sommerfeldt↗
Nondestructive determination of mechanical properties
The sensitivity of the velocity of ultrasonic waves to the elasticity of the materials (acousto-elastic constant - AEC) as controlled by the microstructure of the materials was examined experimentally. Rolled-plate specimens of five different Al alloys were subjected to tensile tests while being monitored for the velocity change of a 10 MHz longitudinal wave as a function of the applied tensile stress. The acoustic propagation velocity was measured perpendicularly to the stress. Determinations were made of the yield strength and the hardnesses of the specimens. Samples of the plate materials examined microscopically to characterize the solid phases. The AECs varied linearly with the percentage of solid solution phase of the alloys. The trend for strain-hardened samples was, however, opposite from that in the precipitation-hardened alloys. The results underscore the necessity of considering the microstructural dependencies of the AECs when using ultrasonic NDE methods, and also opened the potential of determining some mechanical properties with NDE techniques.
Schneider, E.↗
Long-Range Ordered Amorphous Atomic Chains as Building Blocks of a Superconducting Quasi-One-Dimensional Crystal
Crystalline and amorphous structures are two of the most common solid-state phases. Crystals having orientational and periodic translation symmetries are usually both short-range and long-range ordered, while amorphous materials have no long-range order. Short-range ordered but long-range disordered materials are generally categorized into amorphous phases. In contrast to the extensively studied crystalline and amorphous phases, the combination of short-range disordered and long-range ordered structures at the atomic level is extremely rare and so far has only been reported for solvated fullerenes under compression. Here, a report on the creation and investigation of a superconducting quasi-1D material with long-range ordered amorphous building blocks is presented. Using a diamond anvil cell, monocrystalline (TaSe4)(2)I is compressed and a system is created where the TaSe(4)atomic chains are in amorphous state without breaking the orientational and periodic translation symmetries of the chain lattice. Strikingly, along with the amorphization of the atomic chains, the insulating (TaSe4)(2)I becomes a superconductor. The data provide critical insight into a new phase of solid-state materials. The findings demonstrate a first ever case where superconductivity is hosted by a lattice with periodic but amorphous constituent atomic chains.
combination of crystalline and amorphous structure↗
Transient Catalytic Combustor Model With Detailed Gas and Surface Chemistry
In this work, we numerically investigate the transient combustion of a premixed gas mixture in a narrow, perfectly-insulated, catalytic channel which can represent an interior channel of a catalytic monolith. The model assumes a quasi-steady gas-phase and a transient, thermally thin solid phase. The gas phase is one-dimensional, but it does account for heat and mass transfer in a direction perpendicular to the flow via appropriate heat and mass transfer coefficients. The model neglects axial conduction in both the gas and in the solid. The model includes both detailed gas-phase reactions and catalytic surface reactions. The reactants modeled so far include lean mixtures of dry CO and CO/H2 mixtures, with pure oxygen as the oxidizer. The results include transient computations of light-off and system response to inlet condition variations. In some cases, the model predicts two different steady-state solutions depending on whether the channel is initially hot or cold. Additionally, the model suggests that the catalytic ignition of CO/O2 mixtures is extremely sensitive to small variations of inlet equivalence ratios and parts per million levels of H2.
Struk, Peter M.↗
Probing the Mechanism of Selective Phosphate Adsorption from Wastewater Using Aqueous and Synchrotron X-ray Characterization
Ion exchange shows promise for recovering phosphate from wastewater as value-added products, but requires high phosphate selectivity to compete with conventional treatment. Hybrid anion exchange (HAIX) resins, which contain non-selective basic functional groups and selective iron oxide nanoparticles (FeOnp), can effectively remove phosphate from wastewater. However, knowledge gaps remain regarding the mechanisms of phosphate selectivity and influence of competing ions, hindering needed efforts to model adsorption dynamics and design scalable adsorption processes for varying wastewaters. To address these gaps, we integrated aqueous-phase adsorption analysis with solid-phase, synchrotron-based X-ray characterization; this integration facilitated elucidation of the distribution and speciation of iron, phosphate, and competing anions on HAIX resins. We compared a quaternary ammonium-functionalized HAIX resin (SBA) to a tertiary amine version (WBA) to determine the role of functional groups. X-ray radiography revealed differences in FeOnp speciation (goethite vs. ferrihydrite) and distribution (peripheral vs. homogeneous) between the resins, resulting in varied phosphate affinity and intraparticle diffusion resistance. Using micro-X-ray fluorescence (μ-XRF) and micro-X-ray absorption near-edge structure (μ-XANES) spectroscopy, we identified differences in where and how phosphate binds across resin types and wastewaters. Across wastewater compositions, FeOnp sites in WBA contribute more to phosphate adsorption than in SBA, possibly due to variations in Fe distribution and speciation. Phosphate adsorption densities calculated from quantitative μ-XRF maps matched those from aqueous analysis, demonstrating the effectiveness of this integrated approach. Altogether, results demonstrate the use of synchrotron-based X-ray characterization for investigating adsorption mechanisms and advance HAIX as a phosphate recovery technology from complex wastewaters.
Nutrient recovery↗
Emergent Glassy Behavior in a Kagome Rydberg Atom Array
Here, we present large-scale quantum Monte Carlo simulation results on a realistic Hamiltonian of kagome-lattice Rydberg atom arrays. Although the system has no intrinsic disorder, intriguingly, our analyses of static and dynamic properties on large system sizes reveal emergent glassy behavior in a region of parameter space located between two valence bond solid phases. The extent of this glassy region is demarcated using the Edwards-Anderson order parameter, and its phase transitions to the two proximate valence bond solids—as well as the crossover towards a trivial paramagnetic phase—are identified. We demonstrate the intrinsically slow (imaginary) time dynamics deep inside the glassy phase and discuss experimental considerations for detecting such a quantum disordered phase with numerous nearly degenerate local minima. Our proposal paves a new route to the study of real-time glassy phenomena and highlights the potential for quantum simulation of a distinct phase of quantum matter beyond solids and liquids in current-generation Rydberg platforms.
74 ATOMIC AND MOLECULAR PHYSICS↗
Crystallization microstructure in transparent monotectic alloys
The surprising funguslike morphology which occurs at the liquid(1)/liquid(2)/solid triple junction in directionally solidifying miscibility gap systems at the monotectic temperature is described. The monotectic temperature in a binary mixture is the one at which two immiscible solutions of the same two components form phases in equilibrium with the solid phase of one of the components. The growth of this morphology is described, and a similarity between it and that of a known crystal growth morphology is pointed out.
Kaukler, W. F.↗
Nano powders, components and coatings by plasma technique
Ultra fine and nanometer powders and a method of producing same are provided, preferably refractory metal and ceramic nanopowders. When certain precursors are injected into the plasma flame in a reactor chamber, the materials are heated, melted and vaporized and the chemical reaction is induced in the vapor phase. The vapor phase is quenched rapidly to solid phase to yield the ultra pure, ultra fine and nano product. With this technique, powders have been made 20 nanometers in size in a system capable of a bulk production rate of more than 10 lbs/hr. The process is particularly applicable to tungsten, molybdenum, rhenium, tungsten carbide, molybdenum carbide and other related materials.
McKechnie, Timothy N.↗
Chemistry of Ionic Silver and Implications for Design of Potable Water Systems
Ionic silver (Ag+) at approximately 400 µg/L is proposed as an ingestible biocide for potable water systems in future human spacecraft. This paper investigates the underlying chemistry of the silver ion at potable concentrations and its interactions with other solutes and surfaces. This chemistry evaluation will elucidate ionic silver behavior in potable water systems and enable design optimization to minimize ionic silver depletion during long duration crewed and uncrewed segments of missions. Ionic silver can be lost from the water phase to the water-solid interface via adsorption as the cation and oxidation-reduction reactions with passivation defects. The adsorption and oxidation-reduction reactions of heritage piping materials used on spacecraft – stainless steel 316L, titanium, Inconel 718, and Teflon flex hoses – are considered. Conceptual models of adsorption isotherms and pH adsorption edges are applied to understand the role of pH and the surface-to-volume ratio of pipes and tanks on the partitioning of ionic silver between the aqueous and the solid phase during aging. The effect of repeated exposure-aging to an Ag+ containing solution of two passivated alloys (316L and Inconel 718) is evaluated to determine if an equilibrium concentration of ionic silver in the potable range is attainable for a given alloy and surface-to-volume ratio. Aging unpassivated and passivated 316L reduced the ionic silver depletion rate relative to first time exposures, but the same beneficial effect was not observed for Inconel 718.
Water↗
Computational Investigation of Fuel Dispersal Phenomena during Large-Break Loss of Coolant Accident in Light-Water Reactors
In the event of cladding rupture, which could occur in light water reactor fuel assemblies during a loss-of-coolant accident (LOCA), fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod. This expulsion of fragmented fuel particles, referred as fuel dispersal, is the subject of investigation to evaluate the safety implications of increasing fuel burnup in light water reactors, with a specific focus on fuel fragmentation, relocation, and dispersal. Particle trajectories and the resulting mass distribution of the settled particles within the reactor pressure vessel can pose a long-term cooling challenge for the reactor core. The fuel dispersal phenomenon is significantly influenced by the ejection characteristics of the fuel fragments, as well as the size and shape of the cladding rupture and fuel rod depressurization history during LOCA transients. In this study, the transport of fuel particles within a scaled 5 × 5 lattice of a pressurized water reactor rod bundle geometry is modeled through a two-fluid Eulerian framework that treats the gas and solid phases as interpenetrating continua. The required boundary conditions are evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considers solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum and energy exchange between the gas and solid phases. The simulation results provide the volume fraction of the solids settled on the bottom surface of the fuel bundle, quantifying the deposition within the bundle geometry.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗