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At least 757 records · Page 42

Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility

High-energy x-ray diffraction from molten and glassy BaB 2 O 4 and BaB 4 O 7 has been performed using aerodynamic levitation and laser heating over a wide range of temperatures. Remarkably, even in the presence of a heavy metal modifier dominating x-ray scattering, it was possible to extract accurate values for the tetrahedral, sp 3 , boron fraction, N 4 , which declines with increasing temperature, using bond valence-based mapping from the measured mean B–O bond lengths while accounting for vibrational thermal expansion. These are used within a boron-coordination-change model to extract enthalpies, ΔH, and entropies, ΔS, of isomerization between sp 2 and sp 3 boron. The results for BaB 4 O 7 , ΔH = 22(3) kJ mol -1 boron, ΔS = 19(2) J mol -1 boron K -1 , agree quantitatively with those found previously for Na 2 B 4 O 7 . Analytical expressions for N 4 (J, T) and associated configurational heat capacity, $C_{P}^{conf}$(J, T), and entropy, S conf (J, T), contributions are extended to cover a wide composition range 0 ≤ J = BaO/B 2 O 3 ≤ 3 using a model for ΔH(J) and ΔS(J) derived empirically for lithium borates. Maxima in the $C_{P}^{conf}$(J, T g ) and fragility index contributions are thereby predicted for J ≲ 1, higher than the maximum observed and predicted in N 4 (J, T g ) at J ≃ 0.6. We discuss the utility of the boron-coordination-change isomerization model in the context of borate liquids containing other modifiers and the prospect of neutron diffraction to aid in empirical determinations of modifier-dependent effects, illustrated by new neutron diffraction data on Ba 11 B 4 O 7 glass, its well-known α-polymorph, and lesser-known δ-phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Perovskite grain wrapping by converting interfaces and grain boundaries into robust and water-insoluble low-dimensional perovskites

Stabilizing perovskite solar cells requires consideration of all defective sites in the devices. Substantial efforts have been devoted to interfaces, while stabilization of grain boundaries received less attention. Here, we report on a molecule tributyl(methyl)phosphonium iodide (TPI), which can convert perovskite into a wide bandgap one-dimensional (1D) perovskite that is mechanically robust and water insoluble. Mixing TPI with perovskite precursor results in a wrapping of perovskite grains with both grain surfaces and grain boundaries converted into several nanometer-thick 1D perovskites during the grain formation process as observed by direct mapping. The grain wrapping passivates the grain boundaries, enhances their resistance to moisture, and reduces the iodine released during light soaking. The perovskite films with wrapped grains are more stable under heat and light. The best device with wrapped grains maintained 92.2% of its highest efficiency after light soaking under 1-sun illumination for 1900 hours at 55°C open-circuit condition.

14 SOLAR ENERGY↗

Q2 Report for FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

This report describes the work and activities carried out towards the completion of each of the following milestones in FY25 Q2: 1. Demonstrate workflow for generating self-consistent CESOL plasma profiles + first wall and divertor loading prediction and generate the CAT plasma and neutron loading needed for further engineering analysis: $\circ$ Run CESOL with BOUT++/Hermes-3 and immersed boundary condition to directly map to wall: • Run BOUT++/Hermes-3 through the IPS workflow to find radial particle and energy diffusivities to match either the Eich or the physics-based scaling of the SOL heat flux width, and • Expand source of first wall heat flux to include charged particles, neutrals, and radiation from the core+edge. 2. Generate medium fidelity parametrized CAD: $\circ$ Develop the TRACER tool to read an existing CAD, regenerate the geometry based on vertex location and connectivity information, define vertex translation and parameters needed for scaling the CAD, and $\circ$ Utilize the FreeGS code to determine CAT PF coil placement, including minimizing the number of coils, coil current, and electromechanical stresses. 3. Utilize plasma loading for engineering analysis: $\circ$ Couple the plasma loading to input for OpenFOAM and demonstrate initial test of thermal analysis of CAT first wall loading with typical DCLL blanket component cooling boundary conditions. 4. Demonstrate nuclear analysis: $\circ$ Apply initial analysis of tritium transport in DCLL blanket by evaluating spatially resolved tritium generation rates, tritium diffusion and convection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Transient Thermal Analysis of the 12.5 KW HERMeS Hall Thruster

NASA’s Dawn spacecraft entered orbit around the dwarf planet Ceres on March 6, 2015 thereby becoming the first mission to orbit two celestial bodies outside of the Earth-moon system. This feat was made possible due to the use of electric propulsion (EP) to provide the 11 km/s of delta-V that was necessary. This type of propulsion is also enabling for many of NASA’s future missions, such as the proposed Asteroid Redirect Robotic Mission (ARRM). Specifically, the Hall Effect Rocket with Magnetic Shielding (HERMeS) is the propulsive design baseline due to its long operational lifetime and high specific impulse. Extensive modeling is required to verify the thruster's predicted thermal performance and survival during the bounding mission phases. Since the thruster would constrain plasma on the order of tens of thousands of hours, components in the thruster must be able to accommodate much higher sustained temperatures than typical spacecraft hardware. Furthermore, the high temperatures necessitate care in analyzing thermal gradients within the thruster. In this paper, we describe a thermal model of the HERMeS thruster and focus upon the thruster's transient performance under different initial firing conditions. The thruster's transient thermal response is critical to verify margin in the thermal stresses inherent in the thruster and to determine safe start-up procedures to protect the thruster's critical components. This model is used to perform transient thermal analysis of the thruster during startup and shutdown, provide temperature maps for structural analysis, and plan for thermal cycle testing conducted at JPL. The thermal cycle testing includes thruster starts at the cold temperature limits and operation at maximum expected external heat flux. This work will support laboratory environmental testing of the HERMeS thruster, which is being conducted at JPL in 2016.

Reilly, Sean↗

Data Fusion and Mining Techniques to Map Water Use and Drought across Spatial and Temporal Scales

As the world’s water resources come under increasing tension due to dual stressors of climate change and population growth, accurate knowledge of water consumption through evapotranspiration (ET) over a range in spatial scales will be critical in developing adaptation strategies. Remote sensing methods for monitoring consumptive water use (e.g, ET) are becoming increasingly important, especially in areas of significant water and food insecurity. One method to estimate ET from satellite-based methods, the Atmosphere Land Exchange Inverse (ALEXI) model uses the change in mid-morning land surface temperature to estimate the partitioning of sensible and latent heat fluxes which are then used to estimate daily ET. This presentation will outline several recent enhancements to the ALEXI modeling system, with a focus on global ET and drought monitoring. Until recently, ALEXI has been limited to areas with high resolution temporal sampling of geostationary sensors. The use of geostationary sensors makes global mapping a complicated process, especially for real-time applications, as data from as many as five different sensors are required to be ingested and harmonized to create a global mosaic. However, our research team has developed a new and novel method of using twice-daily observations from polar-orbiting sensors such as MODIS and VIIRS to estimate the mid-morning rise in LST that is used to drive the energy balance estimations within ALEXI. This allows the method to be applied globally using a single sensor (in this case, initially MODIS with a planned transition to VIIRS) rather than a global compositing of all available geostationary data. Other advantages of this new method include the higher spatial resolution provided by MODIS and VIIRS and the increased sampling at high latitudes where oblique view angles limit the utility of geostationary sensors. This presentation will focus on global applications for mapping water use and drought using data mining and data fusion across spatial scales extending from 5-km to 30-m “field-scale” estimates.

Christopher Hain↗

XtalCAMP: a comprehensive program for the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data

XtalCAMP is a software package based on the MATLAB platform, which is suitable for, but not limited to, the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data. The main objective of the software is to provide complementary functionalities to the Laue indexing software packages used at several synchrotron beamlines. Here, the graphical user interfaces allow the easy analysis of characteristic microstructure features, including real-time intensity mapping for a quick examination of phase, grain and defect distribution, 2D color-coded mapping of microstructural properties from the output of other Laue indexing software, crystal orientation visualization, grain boundary characterization based on orientation/misorientation calculation, principal strain/stress analysis, and strain ellipsoid representation, as well as a series of additional toolkits. As an example, XtalCAMP is applied to the microstructural investigation of a solution-heat-treated Ni-based superalloy manufactured using a laser 3D-printing technique, and a deformed natural quartzite from Val Bregaglia in the Central Alps.

36 MATERIALS SCIENCE↗

Interfacial stabilization for inverted perovskite solar cells with long-term stability

Perovskite solar cells (PSCs) commonly exhibit significant performance degradation due to ion migration through the top charge transport layer and ultimately metal electrode corrosion. Here, we demonstrate an interfacial management strategy using a boron chloride subphthalocyanine (Cl 6 SubPc)/fullerene electron-transport layer, which not only passivates the interfacial defects in the perovskite, but also suppresses halide diffusion as evidenced by multiple techniques, including visual element mapping by electron energy loss spectroscopy. As a result, we obtain inverted PSCs with an efficiency of 22.0% (21.3% certified), shelf life of 7000 h, Τ 80 of 816 h under damp heat stress (compared to less than 20 h without Cl 6 SubPc), and initial performance retention of 98% after 2000 h at 80 °C in inert environment, 90% after 2034 h of illumination and maximum power point tracking in ambient for encapsulated devices and 95% after 1272 h outdoor testing ISOS-O-1. Our strategy and results pave a new way to move PSCs forward to their potential commercialization solidly.

14 SOLAR ENERGY↗

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

Understanding heat transfer in the earth mantle region is of great scientific interest but highly challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly pressured and thermally activated materials can be completely different from that at ambient condition. In this study we calculate the equation of state and thermal conductivity of cubic crystalline MgO, a major component of the mantle, in such an environment. It is shown that the material properties are not accurately captured unless rigorous treatment of anharmonicity of phonon vibrational motion is explicitly applied. To predict renormalized phonon dispersion relations, interatomic force constants of high-order expansion are required, especially at elevated temperature. The anharmonicity plays an increasingly substantial role for regulating volume expansion as temperature rises, because the Gibbs free energy of MgO considerably deviates from what was predicted by the quasiharmonic approximation. We find that the lattice thermal conductivity of MgO and the heat transfer of the earth's mantle are reliably estimated only when both the temperature-dependent renormalization of phonon frequencies and four-phonon scattering effects are taken into consideration. We map the characteristics at Geotherm into contour diagrams in which equilibrium volumes and the thermal conductivities are described as functions of temperature and pressure. Furthermore, the thermal conductivity values of MgO in this study are smaller than those in previous theoretical studies due to the additional incorporation of four-phonon scatterings in the calculations. Specifically, deviation between the values in previous studies and in this study becomes larger as thermodynamic variables reach those near the core-mantle boundary. For instance, thermal conductivities of 52.15 and 23.67 Wm -1 K -1 are estimated at ambient and extreme conditions (T = 4000K and P = 135 GPa), respectively.

36 MATERIALS SCIENCE↗

Thermal characteristics of the moon.

The papers describe earth-based and in situ surface measurements of the thermal characteristics of lunar-type materials. A geophysical interpretation of the thermal history of the moon is given. Microwave emission from the moon and radar mapping of lunar surface roughness are studied. Lunar thermal aspects from Surveyor data, lunar surface temperatures from Apollo 11 data, the development of an in situ thermal conductivity measurement for the lunar heat flow experiment, and the Apollo 15 lunar heat flow measurement are reviewed. Thermal properties of granulated materials, thermal property measurements on lunar material returned by Apollo 11 and 12 missions, and thermal characteristics of lunar surface roughness are discussed. Individual items are abstracted in this issue.

Lucas, J. W.↗

Budget analysis of the boundary layer grid flights during FIFE 1987

An aircraft grid pattern was flown by the Canadian Twin Otter to map the low-level fluxes and structure over the First International Satellite Land Surface Climatology Project (ISLSCP) Field Experiment (FIFE) research area in 1987. The time dependence and horizontal advection of heat and moisture were extracted from these flights, combined with surface flux measurements and boundary layer top measurements from radiosondes, to analyze the boundary layer budget using a mixed layer model. The results confirm the suggestion of an earlier study that the boundary layer top entrainment (when parameterized using the buoyancy flux) is nearly double the value used by many modeling studies. Both surface and aircraft data have been revised, and it now appears that the direct measurements of the sensible and latent heat fluxes by the aircraft underestimated these fluxes by about 20 percent, because of filtering and undersampling of long wavelength contributions.

Betts, A. K.↗

Color-Video Thermal Maps

Computer-simulation method produces color-video representation of temperatures in combustion-chamber wall. New method displays two-dimensional or three-dimensional temperature variation. Colors in display represent specific temperature ranges. Colors change to show changes in temperature with flow, pressure, heat flux, and other factors during startup, steady-state operation, and shutdown.

Wagner, W. R.↗

High-throughput investigation of structural evolution upon solid-state in Cu–Cr–Co combinatorial multilayer thin-film

Cu-Cr-Co combinatorial multilayer thin-films were prepared by a high-throughput ion beam sputtering system. Based on the thickness ratio among the individual nanoscale monolayers (Cu, Cr, Co), the resulting stoichiometry covered the entire phase diagram. The chemical composition and structure of Cu-Cr-Co combinatorial chip upon solid-state reaction were studied by lab-based micro-X-ray fluorescence (mu-XRF) and high-throughput synchrotron X-ray diffraction (XRD), respectively. A composition-structure map for Cu-Cr-Co combinatorial chip was developed through automated data analysis employing hierarchical clustering techniques. The structural evolution of Cu-Cr-Co combinatorial chip as a function of heat-treatment temperature, time, and modulation period were studied systematically. Furthermore, the effect of the elemental distribution in-depth direction was investigated to gain more insights regarding phase transformation. This work provides an efficient method and new perspectives for the design and optimization of the composition and structure of high-performance thin-films.

36 MATERIALS SCIENCE↗

The application of ERTS imagery to monitoring Arctic sea ice

The author has identified the following significant results. Because of the effect of sea ice on the heat balance of the Arctic and because of the expanding economic interest in arctic oil and minerals, extensive monitoring and further study of sea ice is required. The application of ERTS data for mapping ice is evaluated for several arctic areas, including the Bering Sea, the eastern Beaufort Sea, parts of the Canadian Archipelago, and the Greenland Sea. Interpretive techniques are discussed, and the scales and types of ice features that can be detected are described. For the Bering Sea, a sample of ERTS-1 imagery is compared with visual ice reports and aerial photography from the NASA CV-990 aircraft. The results of the investigation demonstrate that ERTS-1 imagery has substantial practical application for monitoring arctic sea ice. Ice features as small as 80-100 m in width can be detected, and the combined use of the visible and near-IR imagery is a powerful tool for identifying ice types. Sequential ERTS-1 observations at high latitudes enable ice deformations and movements to be mapped. Ice conditions in the Bering Sea during early March depicted in ERTS-1 images are in close agreement with aerial ice observations and photographs.

Barnes, J. C.↗

Far-infrared observations of the Cepheus OB3 molecular cloud

The molecular cloud accompanying the Cepheus OB3 association is observed in the infrared at wavelengths of 10-400 microns. Far-infrared emission at 55 microns and 125 microns from the two CO hot spots, Cep A and Cep B, is mapped with a resolution of approximately one arcmin. Cep A is also mapped at 400 microns with a resolution of approximately one arcmin, and both hot spots are searched for 20-micron sources. It is noted that the Cep A hot spot appears to be heated by energy sources internal to the molecular cloud. The dust temperatures are considered sufficient to explain the gas temperatures provided the dust heats the gas by collisions. In marked contrast, the Cep B region appears to be heated from outside the cloud, with the strongest far-infrared emission arising near the interface between the molecular cloud and the S155 H II region. It is thought that the gas heating rate through collisions with dust may be insufficient to achieve the gas temperature observed in Cep B.

Evans, N. J., II↗

Linear simulation of the stationary eddies in a general circulation model. I - The no-mountain model

A linear primitive-equation stationary-wave model is developed to describe Northern Hemisphere winter stationary eddies on a sphere, and simulation results are compared with the predictions of a flat-lower-boundary GCM in extensive graphs and maps. The linear model is shown to reproduce the general behavior of the GCM well, with 10-30-percent underestimation of amplitudes in the Northern Hemisphere extratropical upper troposphere. The response to global heating plus transient eddy flux convergences is then decomposed into responses to total tropical forcing (heating plus transients) and total extratropical forcing (upper and lower tropospheric transients and latent, sensible, and radiative heating). The quality of the simulation is found to deteriorate rapidly if transient forcing is omitted, although somewhat better results are obtained by substituting thermal damping for transient forcing. The importance of low-level-transient parameterization for theories of time-mean low-level flow is emphasized.

Nigam, Sumant↗

Test flow calibration study of the Langley Arc-Heated Scramjet Test Facility

The test flow at the exits of two square cross-section contoured nozzles with nominal exit Mach numbers of 4.7 and 6 has been studied as calibration data for the NASA-Langley Arc-Heated Scramjet Test Facility over simulated flight conditions from Mach 5.5 (at altitudes from 98,600-128,000 ft) to Mach 7 (at altitudes from 108,000-149,000 ft). Nozzle exit contour maps of measured thermodynamic properties, calculated Mach number, and calculated mass flow are used to determine the mass flow approaching the inlets of various scramjet engines. Good agreement is found between experimentally measured facility total mass flow and facility total mass flow determined by integration of the nozzle exit mass flow contours.

Thomas, Scott R.↗

Footprint prediction of scalar fluxes - Reliability and implications for airborne flux measurements over the FIFE site

Estimates of the location and extension of the upwind ground area that affects flux observations most directly are examined to determine the reliability of airborne versus near-ground flux measurements. The theoretical issues regarding the 'footprint' are examined, and specific observations are analyzed by studying the data over a grid regarding sensible heat, latent heat, CO2, and greenness. The grid is footprint-corrected to correlate better with independently observed surface characteristics, and an optimized footprint is developed that satisfies the relationships between the observed variables. Optimized mapping of the surface flux is given which demonstrates the importance of considering local advection to correlate airborne and ground-based flux observations. The technique is particularly applicable to situations in which significant variations in the surface flux density exist.

Schuepp, P. H.↗