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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Bi-alkali antimonide photocathode growth: An X-ray diffraction study
Bi-alkali antimonide photocathodes are one of the best known sources of electrons for high current and/or high bunch charge applications like Energy Recovery Linacs or Free Electron Lasers. Despite their high quantum efficiency in visible light and low intrinsic emittance, the surface roughness of these photocathodes prohibits their use as low emittance cathodes in high accelerating gradient superconducting and normal conducting radio frequency photoguns and limits the minimum possible intrinsic emittance near the threshold. Also, the growth process for these materials is largely based on recipes obtained by trial and error and is very unreliable. In this paper, using X-ray diffraction, we investigate the different structural and chemical changes that take place during the growth process of the bi-alkali antimonide material K{sub 2}CsSb. Our measurements give us a deeper understanding of the growth process of alkali-antimonide photocathodes allowing us to optimize it with the goal of minimizing the surface roughness to preserve the intrinsic emittance at high electric fields and increasing its reproducibility.
Seven years of aerosol scattering hygroscopic growth measurements from SGP: Factors influencing water uptake: Aerosol Scattering Hygroscopic Growth
Long-term measurements of changes in the aerosol scattering coefficient hygroscopic growth at the U.S. Department of Energy Southern Great Plains site provide information on the seasonal as well as size and chemical dependence of aerosol hygroscopic growth. Annual average sub 10 um fRH values (the ratio of aerosol scattering at 85%/40% RH) were 1.75 and 1.87 for the gamma and kappa fit algorithms, respectively. The study found higher growth rates in the winter and spring seasons that correlated with high aerosol nitrate mass fraction. FRH, exhibited strong, but differing correlations with the scattering Ångström exponent and backscatter fraction, two optical size-dependent parameters. The aerosol organic fraction had a strong influence, with fRH decreasing with increases in the organic mass fraction and absorption Ångström exponent and increasing with the aerosol single scatter albedo. Uncertainty analysis if the fit algorithms revealed high uncertainty at low scattering coefficients and slight increases in uncertainty at high RH and fit parameters values.
Genes essential for phototrophic growth by a purple alphaproteobacterium: Genes for phototrophic growth
Anoxygenic purple phototrophic bacteria have served as important models for studies of photophosphorylation. The pigment-protein complexes responsible for converting light energy to ATP are relatively simple and these bacteria can grow heterotrophically under aerobic conditions, thus allowing for the study of mutants defective in photophosphorylation. In the past, genes responsible for anoxygenic phototrophic growth have been identified in a number of different bacterial species. Here we systematically studied the genetic basis for this metabolism by using Tn-seq to identify genes essential for the anaerobic growth of the purple bacterium Rhodopseudomonas palustris on acetate in light. We identified 171 genes required for growth in this condition, 35 of which are annotated as photosynthesis genes. Among these are a few new genes not previously shown to be essential for phototrophic growth. We verified the essentiality of many of the genes we identified by analyzing the phenotypes of mutants we generated by Tn mutagenesis that had altered pigmentation. We used directed mutagenesis to verify that the R. palustris NADH:quinone oxidoreductase complex IE is essential for phototrophic growth. As a complement to the genetic data, we carried out proteomics experiments in which we found that 429 proteins were present in significantly higher amounts in cells grown anaerobically in light compared to aerobically. Among these were proteins encoded by subset of the phototrophic growth-essential genes.
Grain growth in U–7Mo alloy: A combined first-principles and phase field study
Grain size is an important factor in controlling the swelling behavior in irradiated U-Mo dispersion fuels. Increasing the grain size in U-Mo fuel particles by heat treatment is believed to delay the fuel swelling at high fission density. In this work, a multiscale simulation approach combining first-principles calculation and phase field modeling is used to investigate the grain growth behavior in U-7Mo alloy. The density functional theory based first-principles calculations were used to predict the material properties of U-7Mo alloy. The obtained grain boundary energies were then adopted as an input parameter for mesoscale phase field simulations. The effects of annealing temperature, annealing time and initial grain structures of fuel particles on the grain growth in U-7Mo alloy were examined. The predicted grain growth rate was compared well with the empirical correlation derived from experiments.
Spatial–temporal stability analysis of faceted growth with application to horizontal ribbon growth
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Ion irradiation induced nucleation and growth of nanoparticles in amorphous silicon carbide at elevated temperatures
Ion irradiation induced crystallization in as-deposited amorphous SiC films is investigated using grazing-angle incidence x-ray diffraction (GIXRD), transmission electron microscopy (TEM) and Raman spectroscopy. Irradiation with 5 MeV Xe to fluence of 115 Xe/nm2 at 700 K results in a homogenous distribution of 3C-SiC grains with an average crystallite size of ~5.7 nm over the entire film thickness (~1 µm). The nucleation and growth processes exhibit a weak dependence on dose in displacements per atom (dpa) in the dose range from 6 to 20 dpa. A transformation of homonuclear C-C bonds from sp3 to sp2 hybridization is observed in the irradiated films, which may be partly responsible for the observed grain size saturation. The results from this study may have a significant impact on synthesis of nanograins in amorphous SiC and other similar materials with effective control of grain size and density by ion irradiation.
2Flux growth and characterization of Ce-substituted Nd 2 Fe 14 B single crystals [Growth and Characterization of Ce- Substituted Nd 2 Fe 14 11 B Single Crystals]
Single crystals of (Nd 1-x Ce x ) 2 Fe 14 B, some reaching ~6×8×8mm 3 in volume, are grown out of Fe-(Nd, Ce) flux. This crystal growth method allows for large (Nd 1-x Ce x ) 2 Fe 14 B single crystals to be synthesized using a simple flux growth procedure. Chemical and structural analyses of the crystals indicate that (Nd 1-x Ce x ) 2 Fe 14 B forms a solid solution until at least x=0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements at 300 K show only small decreases with increasing Ce content in saturation magnetization (M s ) and anisotropy field (H A ), and Curie temperature (T C ). First principles calculations are carried out to understand the effect of Ce substitution on the electronic and magnetic properties. For a multitude of applications, it is expected that the advantage of incorporating lower-cost and more abundant Ce will outweigh the small adverse effects on magnetic properties. Ce-substituted Nd 2 Fe 14 B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.
Size and Morphology Controlled Synthesis of Boehmite Nanoplates and Crystal Growth Mechanisms
The aluminum oxyhydroxide boehmite is an important crystalline phase in nature and industry. We report development of a flexible additive-free hydrothermal synthesis method to prepare high quality boehmite nanoplates with sizes ranging from under 20 nm to 5 um via using hydrated alumina gels and amorphous powders as precursors. The size and morphology of the boehmite nanoplates was systematically varied between hexagonal and rhombic by adjusting precursor concentrations, pH, and the synthesis temperature, due to face-specific effects. The transformation mechanism is consistent with dissolution and reprecipitation, and involves transitory initial appearance of metastable gibbsite that is later consumed upon nucleation of boehmite. Detailed X-ray pair distribution characterization of the solids over time showed similarities in short-range order that suggest linkages in local chemistry and bonding topology between the precursors and product boehmite, yet also that precursor-specific differences in long-range order appear to manifest subtle changes in resulting boehmite characteristics, suggesting that the rate and extent of water release or differences in the resulting solubilized aluminate speciation leads to slightly different polymerization and condensation pathways. The findings suggest that during dissolution of the precursor that precursor-specific dehydration or solution speciation could be important aspects of the transformation impacting the molecular level details of boehmite nucleation and growth.
In Situ TEM and AFM Investigation of Morphological Controls during the Growth of Single Crystal BaWO4
Barium tungstate (BaWO4) is a widely investigated inorganic optical material due to its attractive emission properties. Because those properties strongly depend on crystal structure and morphology, numerous approaches to controlling growth have been pursued. However, an understanding of the growth mechanisms that lead to the wide range of morphologies obtained to date is largely lacking, and most attempts to develop that understanding have been based on post-growth analyses. Significantly, such analyses have led to the conclusion that certain BaWO4 crystal morphologies result from a nonclassical growth process of oriented attachment. In this work, we systematically varied the morphology of BaWO4 crystals by adjusting the relative concentrations of solute, water, and ethanol. We then explored the growth mechanism leading to the observed range of morphologies through in situ TEM and in situ AFM. We find that even the most complex BaWO4 morphologies occur through purely classical growth mechanisms largely controlled by the content of solute and ethanol. The latter acts as an impurity to poison growth at low concentrations and low solute levels, but leads to development of growth instabilities and eventual dendritic growth at high alcohol and moderate solute concentrations by driving up the supersaturation. These findings also highlight the necessity of in situ experiments to interpret ex situ observations of crystal growth and decipher the controlling mechanisms.
Silver Nanocube and Nanobar Growth via Anisotropic Monomer Addition and Particle Attachment Processes
Understanding the growth mechanism of noble metal nanocrystals during solution synthesis is of significant importance for shape and property control. However, much remains unknown about the growth pathways of metal nanoparticles due to lack of direct observation. Using an in-situ transmission electron microscopy technique, we directly observed Ag nanocube and nanobar growth in aqueous solution through both classical monomer-by-monomer addition and non-classical particle attachment processes. During the particle attachment process, Ag nanocubes and nanobars formed via both oriented and non-oriented attachment. Our calculations, along with dynamics of the observed attachment, showed that van der Waals force overcame hydrodynamic and friction forces and drove the particles toward each other. During classical growth, an anisotropic growth was also revealed, and the resulting unsymmetrical shape constituted an intermediate state for Ag nanocube growth. We hypothesized that the temporary symmetry breaking resulted from different growth rates on {001} surfaces due to a local surface concentration variation caused by the imbalance between the consumption of Ag+ near the surface and the diffusion of Ag+ from bulk to surface.
Incorporation of salinity, nitrogen, and shading stress factors into the Huesemann Algae Biomass Growth model
The Huesemann Algae Biomass Growth (HABG) model predicts microalgae biomass growth in outdoor raceways as a function of water temperature and incident light intensity. The model over-predicted growth in several Regional Algal Feedstock Testbed (RAFT) experiments. Inspection of the culture conditions suggested that salinity stress, nutrient limitation, and shading reduced growth, which were not included in the original model. Laboratory experiments were carried out to measure growth response of S. obliquus to high salinity and limited nitrogen. In addition, the shading effect was estimated based on raceway geometry, solar angle, albedo and measured light intensity data. In this study, the improvement of model performance is presented step by step as each growth limiting factor is incorporated into the model. The new salinity, shanding, and nutrient stress factors remove most of the over-prediction of the original model. Comparison of the model with observed data indicated that ignoring the lag phase also resulted in overprediction. Delaying the start of the simulation until the end of the lag phase and inclusion of stress factors lowered model inaccuracy from 90% over-prediction to within ±10% in six out of seven batches.
Flux growth in a horizontal configuration: An analog to vapor transport growth
Flux growth of single crystals is normally performed in a vertical configuration with an upright refractory container holding the flux melt. At high temperatures, flux dissolves the charge, forming a homogeneous solution before nucleation and growth of crystals takes place under proper supersaturation generated by cooling or evaporating the flux. In this paper, we report flux growth in a horizontal configuration with a temperature gradient along the horizontal axis: a liquid transport growth analogous to the vapor transport technique. In a typical liquid transport growth, the charge is kept at the hot end of the refractory container and the flux melt dissolves the charge and transfers it to the cold end. Once the concentration of charge is above the solubility limit at the cold end, the thermodynamically stable phase nucleates and grows. Compared to the vertical flux growth, the liquid transport growth can provide a large quantity of crystals in a single growth since the charge/flux ratio is not limited by the solubility limit at the growth temperature. This technique is complementary to the vertical flux growth and can be considered when a large amount of crystals is needed but the yield from the conventional vertical flux growth is limited. Finally, we applied this technique to the growth of IrSb 3 , Mo 3 Sb 7 , and MnBi from self-flux, and the growth of FeSe, CrTe 3 , NiPSe 3 , FePSe 3 , CuInP 2 S 6 , RuCl 3 , and OsCl 4 from a halide flux.
Divergent carbon use efficiency-growth rate tradeoff in popular biological growth models
Carbon use efficiency (CUE) is an important trait emerging from processes regulating biological growth. CUE can be computed either based on the growth of structural biomass or total biomass divided by substrate uptake rate. Nonequilibrium thermodynamics and observations suggest that, for an exponentially growing population of cells, structural biomass CUE should first increase, then peak, and finally decrease with specific growth rate; meanwhile, total biomass CUE increases asymptotically with specific growth rate. We compared predictions from six popular models that are often used for plant and microbial growth in existing ecosystem models. We found that, for an exponentially growing population of biological cells, (1) the source-driven Pirt and Compromise models predict that structural biomass CUE increase asymptotically with growth rate; (2) the apparent sink-driven modified Droop model predicts that structural biomass CUE decreases with growth rate; and (3) the sink-driven variable internal storage model and two dynamic energy budget models predict that structural biomass CUE first increases, then peaks, and finally decreases with growth rate. Moreover, the modified Droop model predicts that total biomass CUE is constant with growth rate, while all other five models predict that total biomass CUE increases with growth rate asymptotically. For non-exponential biological growth, we show that there is no static relationship between total biomass CUE or structural biomass CUE with respect to either growth rate or temperature. Therefore, we contend that biological growth models should explicitly represent interactions between substrate acquisition, substate transformation, and maintenance respiration to better capture observed CUE dynamics, and the sink-driven model should be preferred for general ecosystem biogeochemistry modeling.
Growth Kinetics and Size Distribution Dynamics of Viscous Secondary Organic Aerosol
Low bulk diffusivity inside viscous semisolid atmospheric secondary organic aerosol (SOA) can prolong equilibration time scale, but its broader impacts on aerosol growth and size distribution dynamics are poorly understood. In this article, we present quantitative insights into the effects of bulk diffusivity on the growth and evaporation kinetics of SOA formed under dry conditions from photooxidation of isoprene in the presence of a bimodal aerosol consisting of Aitken (ammonium sulfate) and accumulation (isoprene or α-pinene SOA) mode particles. Aerosol composition measurements and evaporation kinetics indicate that isoprene SOA is composed of several semivolatile organic compounds (SVOCs), with some reversibly reacting to form oligomers. Model analysis shows that liquid-like bulk diffusivities can be used to fit the observed evaporation kinetics of accumulation mode particles but fail to explain the growth kinetics of bimodal aerosol by significantly under-predicting the evolution of the Aitken mode. In contrast, the semisolid scenario successfully reproduces both evaporation and growth kinetics, with the interpretation that hindered partitioning of SVOCs into large viscous particles effectively promotes the growth of smaller particles that have shorter diffusion time scales. This effect has important implications for the growth of atmospheric ultrafine particles to climatically active sizes.
In situ Characterization of Kinetics and Mass Transport of PbSe Nanowire Growth via LS and VLS Mechanisms
As a versatile approach, the vapor-liquid-solid (VLS) mechanism is widely used to grow nanowires. However, the details of the mass transit and mechanism of compound nanowire growth have been limited because of the complex growth process. In this study, we grew binary PbSe nanowires using an in situ gas-heating cell and elucidated two different growth mechanisms and mass transit pathways of different growth species, as well as their controlling factors, using in situ high-resolution transmission electron microscopy and composition analysis. Initial high supersaturation led to poly-nucleation and fast PbSe crystal growth through bulk diffusion of Pb and Se growth species from liquid to solid—a liquid-solid (LS) mechanism. In situ composition analysis showed that Pb dissolved in liquid catalyst at miscible atomic percentages as a precursor during growth. Se precursor was depleted after initial growth and was supplied from the vapor phase, leading to subsequently relatively slow VLS controlled mono-nuclear growth. We revealed the correlation between the nucleation mechanisms and the growth kinetics using a generalized Avrami model. Our study highlighted the key correlations among supersaturation, nucleation, mass transit, and growth kinetics, thereby enabling morphological and compositional control of nanowires.