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MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Advancing energy storage through solubility prediction: leveraging the potential of deep learning

Solubility prediction plays a crucial role in energy storage applications, such as redox flow batteries, because it directly affects the efficiency and reliability. Researchers have developed various methods that utilize quantum calculations and descriptors to predict the aqueous solubilities of organic molecules. Notably, machine learning models based on descriptors have shown promise for solubility prediction. As deep learning tools, graph neural networks (GNNs) have emerged to capture complex structure–property relationships for material property prediction. Specifically, MolGAT, a type of GNN model, was designed to incorporate n-dimensional edge attributes, enabling the modeling of intricacies in molecular graphs and enhancing the prediction capabilities. In a previous study, MolGAT successfully screened 23 467 promising redox-active molecules from a database of over 500 000 compounds, based on redox potential predictions. This study focused on applying the MolGAT model to predict the aqueous solubility (log S) of a broad range of organic compounds, including those previously screened for redox activity. The model was trained on a diverse sample of 8494 organic molecules from AqSolDB and benchmarked against literature data, demonstrating superior accuracy compared with other state of the art graph-based and descriptor-based models. Subsequently, the trained MolGAT model was employed to screen redox-active organic compounds identified in the first phase of high-throughput virtual screening, targeting favorable solubility in energy storage applications. The second round of screening, which considered solubility, yielded 12 332 promising redox-active and soluble organic molecules suitable for use in aqueous redox flow batteries. Thus, the two-phase high-throughput virtual screening approach utilizing MolGAT, specifically trained for redox potential and solubility, is an effective strategy for selecting suitable intrinsically soluble redox-active molecules from extensive databases, potentially advancing energy storage through reliable material development. This indicates that the model is reliable for predicting the solubility of various molecules and provides valuable insights for energy storage, pharmaceutical, environmental, and chemical applications.

25 ENERGY STORAGE↗

Why ionizing radiation enhances surface wettability

Radiation-Induced Surface Activation is an inherent phenomenon where surfaces that are exposed to gamma irradiation are observed to undergo an increase in wettability. This increase in wettability as a result of the ionizing radiation exposure has so far been demonstrated to have a pronounced impact on Leidenfrost temperature and two-phase fluid dynamics. Test results from previous experiments have shown that incorporation of this effect on heat transfer equipment design may increase the thermal-hydraulic margin leading to higher thermal efficiency. However, the mechanism behind the increased wettability is not clearly understood. In the present work, three different materials (Zircaloy-4, 316 stainless steel, and copper) were exposed at two different dose rates with use of two different gamma irradiation facilities. A detailed surface characterization on the post-irradiated samples is carried out to understand the changes in surface chemistry, wettability and surface morphology. It is observed from the experiments that the increase in wettability upon irradiation depended on the total dose and not on the dose rate. Moreover, localized oxidation and porosity induced by radiolysis was seen to be the predominant mechanism behind increased wettability which leads to improved Leidenfrost temperature.

Seshadria, Arunkumar↗

Carbides in lunar soils and rocks

Carbides and the surrounding metal of eight particles from Apollo 14, 16, and 17 soils were analyzed for C, Fe, Ni, and Co with the electron microprobe. In addition, carbide-containing metal particles in two Apollo 17 rocks were studied. Carbide-metal assemblages were found in anorthositic hornfels, melt rock, and agglutinate, but not in any primary igneous rocks. Carbon measurements show that cohenite is the carbide phase present in all the samples. Cohenite exsolves from the carbon-rich metal phase during cooling of the lunar metal particle in the host rocks or soil fragments. Measurements of two-phase interface compositions indicate equilibration for carbides and metal during cooling below 600 C and possibly below 500 C.

Goldstein, J. I.↗

Determination of the Fe-rich portion of the Fe-Ni-C phase diagram

The iron-enriched section of the phase diagram for the ternary alloy Fe-Ni-C of various compositions is determined at 773, 873, 923, and 1003 C. The two-phase tie lines and three-phase tie triangles are measured by electron microprobe analyses. Tie lines in samples without bulk equilibrium are obtained by extrapolated interface compositions under the assumption of local equilibrium at the interface. It is shown that Ni addition somewhat reduces carbon solubility in austenite while decreasing the stability of the carbide phase. In particular, the carbide is always poor in Ni relative to the coexisting metal phase(s).

Romig, A. D., Jr.↗

Two-phase working fluids for the temperature range of 50 to 350 deg, phase 2

Several two phase heat transfer fluids were tested in aluminum and carbon steel reflux capsules for over 25,000 hours at temperatures up to 300 C. Several fluids showed very good stability and would be useful for long duration heat transfer applications over the range 100 to 350 C. Instrumentation for the measurement of surface tension and viscosity were constructed for use with heat transfer fluids over the temperature range 0 to 300 C and with pressures from 0 to 10 atmospheres. The surface tension measuring device constructed requires less than a 1.0 cc sample and displays an accuracy of about 5 percent in preliminary tests, while the viscometer constructed for this program requires a 0.05 cc sample and shows an accuracy of about 5 percent in initial tests.

Saaski, E. W.↗

Spheres of the metallic glass Au55 Pb22.5 Sb22.5 and their surface characteristics

Spheres of the metallic glass Au55 Pb22.5 Sb22.5 have been formed up to a size of approximately 1.5 mm in diameter. X-ray diffraction was used to establish the glassy nature of the samples and to provide evidence of two phase-separated glass regions. Scanning electron microscopy provided a direct visual observation of the two-phase amorphous network on the surface of the sphere. The physical dimensions of the phase-separated regions were observed to be cooling-rate sensitive. Energy dispersive spectroscopy indicated that the compositions of these two glassy phases were Au-rich and Pb-rich, respectively, confirming the results of Kim and Johnson (1981). In addition, the spheres exhibited an unusual surface smoothness of better than + or - 250 A

Lee, M. C.↗

Comprehensive modeling of a liquid rocket combustion chamber

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Liang, P.-Y.↗

Agreement between experimental and theoretical effects of nitrogen gas flowrate on liquid jet atomization

Two-phase flows were investigated by using high velocity nitrogen gas streams to atomize small-diameter liquid jets. Tests were conducted primarily in the acceleration-wave regime for liquid jet atomization, where it was found that the loss of droplets due to vaporization had a marked effect on drop size measurements. In addition, four identically designed two-fluid atomizers were fabricated and tested for similarity of spray profiles. A scattered-light scanner was used to measure a characteristic drop diameter, which was correlated with nitrogen gas flowrate. The exponent of 1.33 for nitrogen gas flowrate is identical to that predicted by atomization theory for liquid jet breakup in the acceleration-wave regime. This is higher than the value of 1.2 which was previously obtained at a sampling distance of 4.4 cm downstream of the atomizer. The difference is attributed to the fact that drop-size measurements obtained at a 2.2 cm sampling distance are less effected by vaporization and dispersion of small droplets and therefore should give better agreement with atomization theory. Profiles of characteristic drop diameters were also obtained by making at least five line-of-sight measurements across the spray at several horizontal positions above and below the center line of the spray.

Ingebo, Robert D.↗

Agreement between experimental and theoretical effects of nitrogen gas flowrate on liquid jet atomization

Two-phase flows were investigated by using high velocity nitrogen gas streams to atomize small-diameter liquid jets. Tests were conducted primarily in the acceleration-wave regime for liquid jet atomization, where it was found that the loss of droplets due to vaporization had a marked effect on drop-size measurements. In addition, four identically designed two-fluid atomizers were fabricated and tested for similarity of spray profiles. A scattered-light scanner was used to measure a characteristic drop diameter, which was correlated with nitrogen gas flowrate. The exponent of 1.33 for nitrogen gas flowrate is identical to that predicted by atomization theory for liquid jet breakup in the acceleration-wave regime. This is higher than the value of 1.2 which was previously obtained at a smapling distance of 4.4 cm downstream of the atomizer. The difference is attributed to the fact that drop-size measurements obtained at a 2.2 cm sampling distance are less affected by vaporization and dispersion of small droplets and therefore should give better agreement with atomization theory. Profiles of characteristic drop diameters were also obtained by making at least five line-of-sight measurements across the spray at several horizontal positions above and below the center line of the spray.

Ingebo, Robert D.↗

High-Temperature Oxidation Behavior of Iridium-Rhenium Alloys

The life-limiting mechanism for radiation-cooled rockets made from iridium-coated rhenium (Ir/Re) is the diffusion of Re into the Ir layer and the subsequent oxidation of the resulting Ir-Re alloy from the inner surface. In a previous study, a life model for Ir/Re rockets was developed. It incorporated Ir-Re diffusion and oxidation data to predict chamber lifetimes as a function of temperature and oxygen partial pressure. Oxidation testing at 1540 deg C suggested that a 20-wt percent Re concentration at the inner wall surface should be established as the failure criterion. The present study was performed to better define Ir-oxidation behavior as a function of Re concentration and to supplement the data base for the life model. Samples ranging from pure Ir to Ir-40 wt percent Re (Ir-40Re) were tested at 1500 deg C, in two different oxygen environments. There were indications that the oxidation rate of the Ir-Re alloy increased significantly when it went from a single-phase solid solution to a two-phase mixture, as was suggested in previous work. However, because of testing anomalies in this study, there were not enough dependable oxidation data to definitively raise the Ir/Re rocket failure criterion from 20-wt percent Re to a Re concentration corresponding to entry into the two-phase region.

Reed, Brian D.↗

Containerless, Low-Gravity Undercooling of Ti-Ce Alloys in the MSFC Drop Tube

Previous tests of the classical nucleation theory as applied to liquid-liquid gap miscibility systems found a discrepancy between experiment and theory in the ability to undercool one of the liquids before the L1-L2 separation occurs. To model the initial separation process in a two-phase liquid mixture, different theoretical approaches, such as free-energy gradient and density gradient theories, have been put forth. If there is a large enough interaction between the critical liquid and the crucible, both models predict a wetting temperature (T(sub w)) above which the minority liquid perfectly wets and layers the crucible interface, but only on one side of the immiscibility dome. Materials with compositions on the other side of the dome will have simple surface adsorption by the minority liquid before bulk separation occurs when the coexistence (i.e., binoidal) line in reached. If the interaction between the critical liquid and the crucible were to decrease, T(sub w) would increase, eventually approaching the critical consolute temperature (T(sub cc)). If this situation occurs, then there could be large regions of the miscibility gap where non-perfect wetting conditions prevail resulting in droplets of L1 liquid at the surface having a non-zero contact angle. The resulting bulk structure will then depend on what happens on the surface and the subsequent processing conditions. In the past several decades, many experiments in space have been performed on liquid metal binary immiscible systems for the purpose of determining the effects that different crucibles may have on the wetting and separation process of the liquids. Potard performed experiments that showed different crucible materials could cause the majority phase to preferentially wet the container and thus produce a dispersed microstructure of the minority phase. Several other studies have been performed on immiscibles in a semi-container environment using an emulsion technique. Only one previous study was performed using completely containerless processing of immiscible metals and the results of that investigation are similar to some of the emulsion studies. In all the studies, surface wetting was attributed as the cause for the similar microstructures or the asymmetry in the ability to undercool the liquid below the binoidal on one side of the immiscibility dome. By removing the container completely from the separation process, it was proposed that the loss of the crucible/liquid interaction would produce a large shift in T(sub w) and thus change the wetting characteristics at the surface. By investigating various compositions across the miscibility gap, a change in the type and amount of liquid wetting at the surface of a containerless droplet should change the surface nucleating behavior of the droplet - whether it be the liquid-liquid wetting or the liquid-to-solid transition. Undercooling of the liquid into the metastable region should produce significant differences in the separation process and the microstructure upon solidification. In this study, we attempt to measure these transitions by monitoring the temperature of the sample by optical pyrometry. Microstructural analysis will be made to correlate with the degree of undercooling and the separation mechanisms involved.

Robinson, M. B.↗

Selection and Assessment of Predictions of the Mars Pathfinder Landing Site

The successful landing of the Mars Pathfinder spacecraft on Mars allows the review of the process of selecting the landing site and assessing predictions made for the site based on Viking and Earth-based data. Selection of the landing site for Mars Pathfinder was a two-phase process. The first phase took place from October 1993 to June 1994 and involved: initial identification of engineering constraints, definition of environmental conditions at the site for spacecraft design, and evaluation of the scientific potential of different landing sites. This phase culminated with the first "Mars Pathfinder Landing Site Workshop", held at the Lunar and Planetary Institute in Houston, Texas on April 18-19, 1994, in which suggested approaches and landing sites were solicited from the entire scientific community. A preliminary site was selected by the project for design purposes in June 1994. The second phase took place from July 1994 to March 1996 and involved: developing criteria for evaluating site safety using images and remote sensing data, testing of the spacecraft and landing subsystems (with design improvements) to establish quantitative engineering constraints on landing site characteristics, evaluating all potential landing sites on Mars, and certification of the site by the project. This phase included a second open workshop, "Mars Pathfinder Landing Site Workshop II: Characteristics of the Ares Vallis Region and Field Trips in the Channeled Scabland, Washington" held in Spokane and Moses Lake September 24-30, 1995 and formal acceptance of the site by NASA Headquarters. Engineering constraints on Pathfinder landing sites were developed from the initial design of the spacecraft and the entry, descent and landing scenario. The site must be within 5 degrees of the subsolar latitude at the time of landing (15N for maximum solar power and flexible communications with Earth. It also must be below 0 km elevation to enable enough time for the parachute to bring the lander to the proper terminal velocity for landing. The entire landing ellipse, which is 70 km by 200 km due to navigational, ephemeris and atmospheric uncertainties, must be free of steep slopes, scarps and obvious hazards in Viking orbiter images, have acceptable radar reflectivity, moderate rock abundances and have little or no dust. Scientific considerations of the Mars Pathfinder payload and mission indicate that analyses of "grab bag" samples at the mouths of outflow channels can offer a first order assessment of a variety of rock types on Mars. Highland sites offer the advantage of in situ analysis of ancient rocks on Mars that record crustal differentiation and the nature of the early environment. Dark gray sites offer the potential of analyzing unweathered and unoxidized materials. Following a general assessment of the safety of different sites, a preliminary selection of a "grab bag" site was made. This site, Ares Vallis, is near the mouth of an outflow channel that may contain ancient Noachian terrain, Hesperian ridged plains, and reworked channel materials. All potential landing sites on Mars that met basic safety criteria were analyzed in detail. Sites (100 by 200 km target ellipses) were considered safe if they were below 0 km elevation, were free of obvious hazards (high relief surface features) in high-resolution (< 50 m/pixel) Viking orbiter images and had acceptable reflectivity and roughness at radar wavelengths, high thermal inertia, moderate rock abundance, low red to violet ratio, and low albedo. Only 4 sites on Mars met all the above criteria, which included 1995 opposition 3.5 cm delay-Doppler radar data. Complete data were evaluated for 7 sites and the Viking landing sites for comparison for all the above criteria as well as crater abundance, hill and mesa abundance, slopes over meter to kilometer scales, low altitude winds (from global circulation models and slopes), the size-frequency distribution of large rocks, as well as rover trafficability and science potential. Discussion of potential hazards at Ares Vallis using a variety of data sets (including radar) at a second open workshop, indicated this site cannot be shown to be any more hazardous than the Viking landing sites. Field trips to the Channeled Scabland and the Ephrata Fan, analogs for Ares Vallis and the landing site, respectively, provided valuable insight into possible geologic processes and potential surface characteristics. Three sites met all the data requirements and safety criteria for landing Pathfinder. Ares Vallis was selected by the project because it appeared acceptably safe (although it appeared to have greater rock abundances than other sites, its elevation was likely the best known) and offered the prospect of analyzing a variety of rock types expected to be deposited by catastrophic floods, which would enable addressing first-order scientific questions such as differentiation of the crust, the development of weathering products, and the nature of the early martian environment and its subsequent evolution. The selection was reviewed by an external board at a number of meetings and accepted, and the site was approved by NASA Headquarters. Data gathered by the Pathfinder lander' and rover provides the opportunity to test the predictions made for the site in the selection process based on remote observations from Earth, orbit, and the surface. The discussion below is taken from Golombek et al. to which the reader is referred for a more complete discussion and a complete list of references, which are omitted here for brevity. Many characteristics of the landing site are consistent with its being shaped and deposited by the Ares and Tiu catastrophic floods. The rocky surface is consistent a depositional plain comprising semi-rounded pebbles, cobbles and tabular boulders (some of which appear imbricated and/or inclined in the direction of flow) that appear similar to depositional plains in terrestrial catastrophic floods. The Twin Peaks appear to be streamlined hills in lander images, which is consistent with interpretations of larger hills in Viking orbiter images of the region that suggest the lander is on the flank of a broad, gentle ridge trending northeast from Twin Peaks. This ridge, which is the rise to the north of the lander, is aligned in the downstream direction from the Ares and Tiu Valles floods, and may be a debris tail deposited in the wake of the Twin Peaks. Channels visible throughout the scene may be a result of late stage drainage. As predicted by delay-Doppler radar measurements and tracking results, the average elevation of the center of the site was about the same as Viking Lander I relative to the 6.1 mbar geoid. The Doppler tracking and two-way ranging estimate for the elevation of the spacecraft is only 45 in lower than the Viking I Lander and within 100 in of that expected, which is within the uncertainties of the measurements. After landing, surface pressures and winds (5-10 m/s) were found to be similar to expectations based on Viking data, although temperatures were about 10 K warmer. The temperature profile below 50 km was also roughly 20 K warmer. As a result, predicted densities were 5% higher near the surface and up to 40% lower at 50 km but within the entry, descent and landing design margins. The populations of craters and small hills and the slopes of the hills measured in high-resolution (38 m/pixel) Viking orbiter images and the radar derived slopes of the landing site are all consistent with observations of these properties in the lander images. A rocky surface was expected from Viking Infra-Red Thermal Mapper (IRTM) observations and comparisons with the Viking landing sites. The observed cumulative fraction of area covered by rocks with diameters greater than 3 cm and heights greater than 0.5 in (potentially hazardous to landing) at Ares is similar to that predicted by IRTM observations and models of Viking lander and Earth analog rock size-frequency distributions. The IRTM prediction postulated an effective thermal inertia of 30 (10(exp -3) cgs units - cal/cubic cm/s(exp 0.5)/K) for the rock population, but we obtain a slightly different effective thermal inertia for the actual rock population. The validity of interpretations of radar echoes prior to landing are supported by a simple radar echo model, an estimate of the reflectivity of the soil from its bulk density, and the fraction of area covered by rocks. In the calculations, the soil produces the quasi-specular echo and the rocks produce the diffuse echo. The derived quasispecular cross section is comparable to the cross-sections and reflectivities reported for 3.5-cm wavelength observations. The model yields a diffuse echo that is modestly larger than the polarized diffuse echo reported for 3.5-cm wavelength observations. At 12.5-cm wavelength, similar rock populations at Ares and the Viking I site were expected because the diffuse echoes are comparable, but the large normal reflectivities suggests that bulk densities of the soils at depth are greater than those at the surface. We also obtain a fine-component inertia near 8.4 which agrees with the fine-component inertia of 8.7 (in 10(exp -3) cgs units) estimated from thermal observations from orbit by the IRTM; for this estimate, we used a bulk thermal inertia of 10.4 for the landing site, an effective thermal inertia near 40 (10(exp -3) cgs units) for the rock population, and a graphical representation of Kieffer's model. Color and albedo data for Ares suggested surfaces of materials at Ares Vallis would be relatively dust free or unweathered prior to landing compared with the materials at the Viking landing sites. This suggestion is supported by the abundance of relatively dark-gray rocks at Ares and their relative rarity at the Viking landing sites, where rocks are commonly coated with bright red dust. Finally, the 40 km long Ephrata Fan of the Channeled Scabland in Washington state, which was deposited where c

Golombek, M. P.↗

Investigation of the Surface Stress in SiC and Diamond Nanocrystals by In-situ High Pressure Powder Diffraction Technique

The real atomic structure of nanocrystals determines key properties of the materials. For such materials the serious experimental problem lies in obtaining sufficiently accurate measurements of the structural parameters of the crystals, since very small crystals constitute rather a two-phase than a uniform crystallographic phase system. As a result, elastic properties of nanograins may be expected to reflect a dual nature of their structure, with a corresponding set of different elastic property parameters. We studied those properties by in-situ high-pressure powder diffraction technique. For nanocrystalline, even one-phase materials such measurements are particularly difficult to make since determination of the lattice parameters of very small crystals presents a challenge due to inherent limitations of standard elaboration of powder diffractograms. In this investigation we used our methodology of the structural analysis, the 'apparent lattice parameter' (alp) concept. The methodology allowed us to avoid the traps (if applied to nanocrystals) of standard powder diffraction evaluation techniques. The experiments were performed for nanocrystalline Sic and GaN powders using synchrotron sources. We applied both hydrostatic and isostatic pressures in the range of up to 40 GPa. Elastic properties of the samples were examined based on the measurements of a change of the lattice parameters with pressure. The results show a dual nature of the mechanical properties (compressibilities) of the materials, indicating a complex, core-shell structure of the grains.

Palosz, B.↗

Airborne Observations and Satellite Validation: INTEX-A Experience and INTEX-B Plans

Intercontinental Chemical Transport Experiment (INTEX; http://cloudl.arc.nasa.gov) is an ongoing two-phase integrated atmospheric field experiment being performed over North America (NA). Its first phase (INTEX-A) was performed in the summer of 2004 and the second phase (INTEX-B) is planned for the early spring of 2006. The main goal of INTEX-NA is to understand the transport and transformation of gases and aerosols on transcontinental/intercontinental scales and to assess their impact on air quality and climate. Central to achieving this goal is the need to relate space-based observations with those from airborne and surface platforms. During INTEX-A, NASA s DC-8 was joined by some dozen other aircraft from a large number of European and North American partners to focus on the outflow of pollution from NA to the Atlantic. Several instances of Asian pollution over NA were also encountered. INTEX-A flight planning extensively relied on satellite observations and in turn Satellite validation (Terra, Aqua, and Envisat) was given high priority. Over 20 validation profiles were successfully carried out. DC-8 sampling of smoke from Alaskan fires and formaldehyde over forested regions, and simultaneous satellite observations of these provided excellent opportunities for the interplay of these platforms. The planning for INTEX-5 is currently underway, and a vast majority of "standard" and "research" products to be retrieved from Aura instruments will be measured during INTEX-B throughout the troposphere. INTEX-B will focus on the inflow of pollution from Asia to North America and validation of satellite observations with emphasis on Aura. Several national and international partners are expected to coordinate activities with INTEX-B, and we expect its scope to expand in the coming months. An important new development involves partnership with an NSF-sponsored campaign called MIRAGE (Megacity Impacts on Regional and Global Environments- Mexico City Pollution Outflow Field Campaign; http://mirage- mex.acd.ucar.edu/index.html). This partnership will utilize both the NASA-DC-8 mad NCAR C-130 aircrafts and greatly expand the temporal and spatial coverage of these experiments. We will briefly describe our INTEX-A experience and discuss plans for INTEX-B activities especially as they relate to validation and interpretation of Aura observations.

Crawford, James H.↗

Coarsening in Solid-Liquid Mixtures Studied on the Space Shuttle

Ostwald ripening, or coarsening, is a process in which large particles in a two-phase mixture grow at the expense of small particles. It is a ubiquitous natural phenomena occurring in the late stages of virtually all phase separation processes. In addition, a large number of commercially important alloys undergo coarsening because they are composed of particles embedded in a matrix. Many of them, such as high-temperature superalloys used for turbine blade materials and low-temperature aluminum alloys, coarsen in the solid state. In addition, many alloys, such as the tungsten-heavy metal systems, coarsen in the solid-liquid state during liquid phase sintering. Numerous theories have been proposed that predict the rate at which the coarsening process occurs and the shape of the particle size distribution. Unfortunately, these theories have never been tested using a system that satisfies all the assumptions of the theory. In an effort to test these theories, NASA studied the coarsening process in a solid-liquid mixture composed of solid tin particles in a liquid lead-tin matrix. On Earth, the solid tin particles float to the surface of the sample, like ice in water. In contrast, in a microgravity environment this does not occur. The microstructures in the ground- and space-processed samples (see the photos) show clearly the effects of gravity on the coarsening process. The STS-83-processed sample (right image) shows nearly spherical uniformly dispersed solid tin particles. In contrast, the identically processed, ground-based sample (left image) shows significant density-driven, nonspherical particles, and because of the higher effective solid volume fraction, a larger particle size after the same coarsening time. The "Coarsening in Solid-Liquid Mixtures" (CSLM) experiment was conducted in the Middeck Glovebox facility (MGBX) flown aboard the shuttle in the Microgravity Science Laboratory (MSL-1/1R) on STS-83/94. The primary objective of CSLM is to measure the temporal evolution of the solid particles during coarsening.

Caruso, John J.↗

Method for Determination of Less Than 5 ppm Oxygen in Sodium Samples

Alkali metals used in pumped loops or heat pipes must be sufficiently free of nonmetallic impurities to ensure long heat rejection system life. Life issues are well established for alkali metal systems. Impurities can form ternary compounds between the container and working fluid, leading to corrosion. This Technical Memorandum discusses the consequences of impurities and candidate measurement techniques to determine whether impurities have been reduced to suf.ciently low levels within a single-phase liquid metal loop or a closed two-phase heat transfer system, such as a heat pipe. These techniques include the vanadium wire equilibration, neutron activation analysis, plug traps, distillation, and chemical analysis. Conceptual procedures for performing vanadium wire equilibration purity measurements on sodium contained in a heat pipe are discussed in detail.

Reid, R. S.↗

Gases and Aerosols over North America and the Atlantic: First results from INTEX-A

Intercontinental Chemical Transport Experiment (INTEX; http://cloud1.arc.nasa.gov) is an ongoing two-phase integrated atmospheric field experiment being performed over North America (NA). Its first phase (INTEX-A) was performed in the summer of 2004 and the second phase (INTEX-B) is planned for the early spring of 2006. The main goal is to characterize the sources and distribution of gases and aerosols over NA and to understand their transport and transformation on transcontinental/intercontinental scales in order to assess their impact on air quality and climate. Central to achieving this goal is the need to relate space-based observations with those from airborne and surface platforms. During JNTEX-A, NASA s DC-8 was joined by some dozen other aircraft from a large number of European (U. K., France, and Germany) and North American partners to explore the composition of the troposphere over NA and the Atlantic in a coordinated manner. Global and regional models along with satellite observations were extensively used to plan, coordinate, and implement this field mission. Aircraft were instrumented to measure a comprehensive suite of gases and aerosols utilizing in-situ and remote sensors. The NASA DC-8 alone was equipped with some 20 instruments capable of measuring species at concentrations as low as 10(exp -15) v/v. Measurements included major atmospheric gaseous constituents (O3, NO(x), HNO3, HNO4, PANS, SO2, VOC/OVOC, CO, and CO2), free radicals and precursors (OH, HO2, H2O2, HCHO), aerosols and radiation (microphysics, composition, optical depth, radiative flux), as well as multiple tracers of pollution. Validation of instruments aboard Terra, Aqua, and Envisat satellites was given high priority. Some of the highest pollution levels were present in the upper troposphere due to widespread deep convection. Although unexpected, frequent instances of Asian pollution over NA were encountered during these summer months. The soil uptake of CO2 over NA was characterized over large regions of NA helping to understand the continents CO2-sink potential. DC-8 sampling of smoke from Alaskan fires and formaldehyde over forested regions, and simultaneous satellite observations of these provided excellent opportunities for the interplay of these platforms. Outflow of pollution from NA was sampled again over the Atlantic after several days to assess its evolution during transport. Models of chemistry and radiation are presently being employed to help in the interpretation of JNTEX-A data. The planning for INTEX-B (spring 2006) is currently underway. First results from INTEX-A and plans for INTEX-B will be discussed

Singh, Hanwant B.↗