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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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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The effect of gas-phase polycyclic aromatic hydrocarbons on the formation and properties of biogenic secondary organic aerosol particles

When secondary organic aerosol (SOA) particles are formed by ozonolysis in the presence of gas-phase polycyclic aromatic hydrocarbons (PAHs), their formation and properties are significantly different from SOA particles formed without PAHs. For all SOA precursors and all PAHs, discussed in this study, the presence of the gas-phase PAHs during SOA formation significantly affects particle mass loadings, composition, growth, evaporation kinetics, and viscosity. SOA particles formed in the presence of PAHs have, as part of their compositions, trapped unreacted PAHs and products of heterogeneous reactions between PAHs and ozone. Compared to ‘pure’ SOA particles, these particles exhibit slower evaporation kinetics, have higher fractions of non-volatile components, like oligomers, and higher viscosities, assuring their longer atmospheric lifetimes. In turn, the increased viscosity and decreased volatility provide a shield that protects PAHs from chemical degradation and evaporation, allowing for the long-range transport of these toxic pollutants. The magnitude of the effect of PAHs on SOA formation is surprisingly large. The presence of PAHs during SOA formation increases mass loadings by factors of two to five, and particle number concentrations, in some cases, by more than a factor of 100. Increases in SOA mass, particle number concentrations, and lifetime have important implications to many atmospheric processes related to climate, weather, visibility, and human health, all of which relate to the interactions between biogenic SOA and anthropogenic PAHs. The synergistic relationship between SOA and PAHs presented here are clearly complex and call for future research to elucidate further the underlying processes and their exact atmospheric implications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Citrate stabilized gold nanoparticles interfere with amyloid fibril formation: D76N and ΔN6 β2-microglobulin variants

Here, protein aggregation including the formation of dimers and multimers in solution, underlies an array of human diseases such as systemic amyloidosis which is a fatal disease caused by misfolding of native globular proteins damaging the structure and function of affected organs. Different kind of interactors can interfere with the formation of protein dimers and multimers in solution. A very special class of interactors are nanoparticles thanks to the extremely efficient extension of their interaction surface. In particular citrate-coated gold nanoparticles (cit-AuNPs) were recently investigated with amyloidogenic protein β 2 -microglobulin (β 2 m). Here we present the computational studies on two challenging models known for their enhanced amyloidogenic propensity, namely ΔN6 and D76N β 2 m naturally occurring variants, and disclose the role of cit-AuNPs on their fibrillogenesis. The proposed interaction mechanism lies in the interference of the cit-AuNPs with the protein dimers at the early stages of aggregation, that induces dimer disassembling. As a consequence, natural fibril formation can be inhibited. Relying on the comparison between atomistic simulations at multiple levels (enhanced sampling molecular dynamics and Brownian dynamics) and protein structural characterisation by NMR, we demonstrate that the cit-AuNPs interactors are able to inhibit protein dimer assembling. As a consequence, the natural fibril formation is also inhibited, as found in experiment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Impact of processing conditions on the film formation of lead-free halide double perovskite Cs 2 AgBiBr 6

Lead-free halide double perovskites with enhanced stability have gained attention as a promising environmentally friendly alternative to lead-based halide perovskites. Amongst different halide double perovskites, Cs 2 AgBiBr 6 has shown attractive optoelectronic properties and stability, making it a promising candidate for stable high-efficiency optoelectronic devices. Motivated by a data mining effort, we present here in this study the effects of different processing strategies on the microstructure and thin-film formation dynamics of Cs 2 AgBiBr 6 . We apply some of the most successfully used solvent engineering approaches from the halide perovskite research to halide double perovskites, namely antisolvent- and additive-assisted synthesis. Using in situ spectroscopy and diffraction, the film formation of Cs 2 AgBiBr 6 is investigated during spin coating, and the subsequent post-deposition thermal annealing. Dropping antisolvents during spin coating induces immediate supersaturation and crystallization of the wet film, whereas the time of dropping the antisolvent has implications on the film formation dynamics and the final microstructure. For additive (HBr)-assisted synthesis, we show how the addition of HBr affects colloid formation in solution and thus influences the crystallization pathway during thin-film processing. Finally, HBr additive simplifies synthesis in that it doesn't require solution and substrate preheating to obtain pinhole-free films even with higher thickness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Strong dependence of Type Ia supernova standardization on the local specific star formation rate

As part of an on-going effort to identify, understand and correct for astrophysics biases in the standardization of Type Ia supernovae (SN Ia) for cosmology, we have statistically classified a large sample of nearby SNe Ia into those that are located in predominantly younger or older environments. This classification is based on the specific star formation rate measured within a projected distance of 1 kpc from each SN location (LsSFR). This is an important refinement compared to using the local star formation rate directly, as it provides a normalization for relative numbers of available SN progenitors and is more robust against extinction by dust. We find that the SNe Ia in predominantly younger environments are Δ Y = 0.163 ± 0.029 mag (5.7 σ ) fainter than those in predominantly older environments after conventional light-curve standardization. This is the strongest standardized SN Ia brightness systematic connected to the host-galaxy environment measured to date. The well-established step in standardized brightnesses between SNe Ia in hosts with lower or higher total stellar masses is smaller, at Δ M = 0.119 ± 0.032 mag (4.5 σ ), for the same set of SNe Ia. When fit simultaneously, the environment-age offset remains very significant, with Δ Y = 0.129 ± 0.032 mag (4.0 σ ), while the global stellar mass step is reduced to Δ M = 0.064 ± 0.029 mag (2.2 σ ). Thus, approximately 70% of the variance from the stellar mass step is due to an underlying dependence on environment-based progenitor age. Also, we verify that using the local star formation rate alone is not as powerful as LsSFR at sorting SNe Ia into brighter and fainter subsets. Standardization that only uses the SNe Ia in younger environments reduces the total dispersion from 0.142 ± 0.008 mag to 0.120 ± 0.010 mag. Overall, we show that as environment-ages evolve with redshift, a strong bias, especially on the measurement of the derivative of the dark energy equation of state, can develop. Fortunately, data that measure and correct for this effect using our local specific star formation rate indicator, are likely to be available for many next-generation SN Ia cosmology experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Radial structure and formation of the Milky Way disc

The formation of the Galactic disc is an enthusiastically debated issue. Numerous studies and models seek to identify the dominant physical process(es) that shaped its observed properties; for example, satellite accretion, starburst, quenching, gas infall, and stellar radial migration. Taking advantage of the improved coverage of the inner Milky Way provided by the SDSS DR16 APOGEE catalogue and of the ages published in the APOGEE-AstroNN Value Added Catalogue (VAC), we examined the radial evolution of the chemical and age properties of the Galactic stellar disc with the aim of better constraining its formation. Using a sample of 199 307 giant stars with precise APOGEE abundances and APOGEE-AstroNN ages, selected in a ±2 kpc layer around the galactic plane, we assessed the dependency as a function of guiding radius of (i) the median metallicity, (ii) the ridge lines of the [Fe/H] – [Mg/Fe] and age–[Mg/Fe] distributions, and (iii) the age distribution function (ADF). The giant star sample allows us to probe the radial behaviour of the Galactic disc from R g = 0 to 14–16 kpc. The thick disc [Fe/H] – [Mg/Fe] ridge lines follow closely grouped parallel paths, supporting the idea that the thick disc did form from a well-mixed medium. However, the ridge lines present a small drift in [Mg/Fe], which decreases with increasing guiding radius. At sub-solar metallicity, the intermediate and outer thin disc [Fe/H] – [Mg/Fe] ridge lines follow parallel sequences shifted to lower metallicity as the guiding radius increases. We interpret this pattern as the signature of a dilution of the interstellar medium from R g ~ 6 kpc to the outskirts of the disc, which occurred before the onset of the thin disc formation. The APOGEE-AstroNN VAC provides stellar ages for statistically significant samples of thin disc stars from the Galactic centre up to R g ~ 14 kpc. An important result provided by this dataset is that the thin disc presents evidence of an inside-out formation up to R g ~ 10 – 12 kpc. Moreover, about ~7 Gyr ago, the [Mg/Fe] ratio in the outer thin disc (R g > 10 kpc) was higher by about ~0.03–0.05 dex than in the more internal regions of the thin disc. This could be the fossil record of a pollution of the outer disc gas reservoir by the thick disc during its starburst phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Formation of a compact toroid for enhanced efficiency

We report here our results on the formation of a plasma configuration with the generic name of compact toroid (CT). A method of compact toroid formation to confine, heat and compress a plasma is investigated. Formation of a compact torus using an additional toroidal magnetic field helps to increase the plasma current to a maintainable level of the original magnetic field. We design the Compact Toroid Challenge (CTC) experiment in order to improve the magnetic flux trapping during field reversal in the formation of a compact toroid. The level of the magnetic field immersed in the plasma about 70% of the primary field is achieved. The CTC device and scheme of high level capturing of magnetic flux are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Study of instability formation and EUV emission in thin liners driven with a compact 250 kA, 150 ns linear transformer driver

A compact linear transformer driver, capable of producing 250 kA in 150 ns, was used to study instability formation on the surface of thin liners. In the experiments, two different materials, Cu and Ni, were used to study the effect of the liner's resistivity on formation and evolution of the instabilities. The dimensions of the liners used were 7 mm height, 1 mm radius, and 3 μm thickness. Laser probing and time resolved extreme ultraviolet (EUV) imaging were implemented to diagnose instability formation and growth. Time-integrated EUV spectroscopy was used to study plasma temperature and density. A constant expansion rate for the liners was observed, with similar values for both materials. Noticeable differences were found between the Cu and Ni instability growth rates. The most significant perturbation in Cu rapidly grows and saturates reaching a limiting wavelength of the order of the liner radius, while the most significant wavelength in Ni increases slowly before saturating, also at a wavelength close to the liner radius. Evidence suggests that the instability observed is the well-known m = 0 MHD instability. However, upon comparing the instability evolution of Cu and Ni, the importance of the resistivity on the seeding mechanism becomes evident. A comparison of end-on and side-on EUV emission possible indicates the formation of precursor plasma, where it has been estimated using EUV spectroscopy that the precursor plasma temperature is approximately 40 eV with ion density of order 10{sup 19} cm{sup −3}, for both materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Formation of magnetic discontinuities through viscous relaxation

According to Parker's magnetostatic theorem, tangential discontinuities in magnetic field, or current sheets (CSs), are generally unavoidable in an equilibrium magnetofluid with infinite electrical conductivity and complex magnetic topology. These CSs are due to a failure of a magnetic field in achieving force-balance everywhere and preserving its topology while remaining in a spatially continuous state. A recent work [Kumar, Bhattacharyya, and Smolarkiewicz, Phys. Plasmas 20, 112903 (2013)] demonstrated this CS formation utilizing numerical simulations in terms of the vector magnetic field. The magnetohydrodynamic simulations presented here complement the above work by demonstrating CS formation by employing a novel approach of describing the magnetofluid evolution in terms of magnetic flux surfaces instead of the vector magnetic field. The magnetic flux surfaces being the possible sites on which CSs develop, this approach provides a direct visualization of the CS formation, helpful in understanding the governing dynamics. The simulations confirm development of tangential discontinuities through a favorable contortion of magnetic flux surfaces, as the magnetofluid undergoes a topology-preserving viscous relaxation from an initial non-equilibrium state with twisted magnetic field. A crucial finding of this work is in its demonstration of CS formation at spatial locations away from the magnetic nulls.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Collisionless Weibel shocks: Full formation mechanism and timing

Collisionless shocks in plasmas play an important role in space physics (Earth's bow shock) and astrophysics (supernova remnants, relativistic jets, gamma-ray bursts, high energy cosmic rays). While the formation of a fluid shock through the steepening of a large amplitude sound wave has been understood for long, there is currently no detailed picture of the mechanism responsible for the formation of a collisionless shock. We unravel the physical mechanism at work and show that an electromagnetic Weibel shock always forms when two relativistic collisionless, initially unmagnetized, plasma shells encounter. The predicted shock formation time is in good agreement with 2D and 3D particle-in-cell simulations of counterstreaming pair plasmas. By predicting the shock formation time, experimental setups aiming at producing such shocks can be optimised to favourable conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Graphene defect formation by extreme ultraviolet generated photoelectrons

We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary electrons. Graphene is irradiated by an electron beam with energy lower than 80 eV. After e-beam irradiation, it is found that the D peak, I(D), appears in the Raman spectrum, indicating defect formation in graphene. The evolution of I(D)/I(G) follows the amorphization trajectory with increasing irradiation dose, indicating that graphene goes through a transformation from microcrystalline to nanocrystalline and then further to amorphous carbon. Further, irradiation of graphene with increased water partial pressure does not significantly change the Raman spectra, which suggests that, in the extremely low energy range, e-beam induced chemical reactions between residual water and graphene are not the dominant mechanism driving defect formation in graphene. Single layer graphene, partially suspended over holes was irradiated with EUV radiation. By comparing with the Raman results from e-beam irradiation, it is concluded that the photoelectrons, especially those from the valence band, contribute to defect formation in graphene during irradiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Investigation of the mechanism of impurity assisted nanoripple formation on Si induced by low energy ion beam erosion

A detailed mechanism of the nanoripple pattern formation on Si substrates generated by the simultaneous incorporation of pure Fe impurities at low energy (1 keV) ion beam erosion has been studied. To understand and clarify the mechanism of the pattern formation, a comparative analysis of the samples prepared for various ion fluence values using two complimentary methods for nanostructure analysis, atomic force microscopy, and grazing incidence small angle x-ray scattering has been done. We observed that phase separation of the metal silicide formed during the erosion does not precede the ripple formation. It rather concurrently develops along with the ripple structure. Our work is able to differentiate among various models existing in the literature and provides an insight into the mechanism of pattern formation under ion beam erosion with impurity incorporation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Tetrafluoroethane (R134a) hydrate formation within variable volume reactor accompanied by evaporation and condensation

Vast size hydrate formation reactors with fast conversion rate are required for the economic implementation of seawater desalination utilizing gas hydrate technology. The commercial target production rate is order of thousand tons of potable water per day per train. Various heat and mass transfer enhancement schemes including agitation, spraying, and bubbling have been examined to maximize the production capacities in scaled up design of hydrate formation reactors. The present experimental study focused on acquiring basic knowledge needed to design variable volume reactors to produce tetrafluoroethane hydrate slurry. Test vessel was composed of main cavity with fixed volume of 140 ml and auxiliary cavity with variable volume of 0 ∼ 64 ml. Temperatures at multiple locations within vessel and pressure were monitored while visual access was made through front window. Alternating evaporation and condensation induced by cyclic volume change provided agitation due to density differences among water and vapor, liquid and hydrate R134a as well as extended interface area, which improved hydrate formation kinetics coupled with latent heat release and absorption. Influences of coolant temperature, piston stroke/speed, and volume change period on hydrate formation kinetics were investigated. Suggestions of reactor design improvement for future experimental study are also made.

42 ENGINEERING↗
DOE OSTI2015

Dynamics of the phase formation process upon the low temperature selenization of Cu/In-multilayer stacks

Phase reactions occurring during a low temperature selenization of thin In/Cu-multilayer stacks were investigated by ex-situ x-ray diffraction (XRD) and energy dispersive x-ray spectroscopy (EDS). Therefore, dc-sputtered In/Cu-multilayers onto molybdenum coated soda lime glass were selenized in a high vacuum system at temperatures between 260 and 340 °C with different dwell times and selenium supply. The combination of the results of the phase analysis by XRD and the measurements of the in-depth elemental distribution by EDS allowed a conclusion on the occurring reactions within the layer depth. We found two CuInSe{sub 2} formation processes depending on the applied temperature. Already, at a heater temperature of 260 °C, the CuInSe{sub 2} formation can occur by the reaction of Cu{sub 2−x}Se with In{sub 4}Se{sub 3} and Se. At 340 °C, CuInSe{sub 2} is formed by the reaction of Cu{sub 2−x}Se with InSe and Se. Because both reactions need additional selenium, the selenium supply during the selenization can shift the reaction equilibria either to the metal binaries side or to the CuInSe{sub 2} side. Interestingly, a lower selenium supply shifts the equilibrium to the CuInSe{sub 2} side, because the amount of selenium incorporated into the metallic layer is higher for a lower selenium supply. Most likely, a larger number of grain boundaries are the reason for the stronger selenium incorporation. The results of the phase formation studies were used to design a two stage selenization process to get a defined structure of an indium selenide- and a copper selenide-layer at low temperatures as the origin for a controlled interdiffusion to form the CuInSe{sub 2}-absorber-layer at higher temperatures. The approach delivers a CuInSe{sub 2} absorber which reach total area efficiencies of 11.8% (13.0% active area) in a CuInSe{sub 2}-thin-film solar cell. A finished formation of CuInSe{sub 2} at low temperature was not observed in our experiments but is probably possible for longer dwell times.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Investigations on caesium-free alternatives for H{sup −} formation at ion source relevant parameters

Negative hydrogen ions are efficiently produced in ion sources by the application of caesium. Due to a thereby induced lowering of the work function of a converter surface a direct conversion of impinging hydrogen atoms and positive ions into negative ions is maintained. However, due to the complex caesium chemistry and dynamics a long-term behaviour is inherent for the application of caesium that affects the stability and reliability of negative ion sources. To overcome these drawbacks caesium-free alternatives for efficient negative ion formation are investigated at the flexible laboratory setup HOMER (HOMogenous Electron cyclotron Resonance plasma). By the usage of a meshed grid the tandem principle is applied allowing for investigations on material induced negative ion formation under plasma parameters relevant for ion source operation. The effect of different sample materials on the ratio of the negative ion density to the electron density n{sub H{sup −}} /n{sub e} is compared to the effect of a stainless steel reference sample and investigated by means of laser photodetachment in a pressure range from 0.3 to 3 Pa. For the stainless steel sample no surface induced effect on the negative ion density is present and the measured negative ion densities are resulting from pure volume formation and destruction processes. In a first step the dependency of n{sub H{sup −}} /n{sub e} on the sample distance has been investigated for a caesiated stainless steel sample. At a distance of 0.5 cm at 0.3 Pa the density ratio is 3 times enhanced compared to the reference sample confirming the surface production of negative ions. In contrast for the caesium-free material samples, tantalum and tungsten, the same dependency on pressure and distance n{sub H{sup −}} /n{sub e} like for the stainless steel reference sample were obtained within the error margins: A density ratio of around 14.5% is measured at 4.5 cm sample distance and 0.3 Pa, linearly decreasing with decreasing distance to 7% at 1.5 cm. Thus, tantalum and tungsten do not significantly affect the negative ion density. First measurements conducted with LaB{sub 6} as well as with two types of diamond like carbon (DLC) n{sub H{sup −}} /n{sub e} of about 15% at 1 Pa were measured, which is comparable to the density ratio obtained for the stainless steel reference sample. At HOMER a surface induced enhancement of n{sub H{sup −}} is only observed when it exceeds the volume formation of H{sup −} which is also realistic for negative hydrogen ion sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Influence of the formation- and passivation rate of boron-oxygen defects for mitigating carrier-induced degradation in silicon within a hydrogen-based model

A three-state model is used to explore the influence of defect formation- and passivation rates of carrier-induced degradation related to boron-oxygen complexes in boron-doped p-type silicon solar cells within a hydrogen-based model. The model highlights that the inability to effectively mitigate carrier-induced degradation at elevated temperatures in previous studies is due to the limited availability of defects for hydrogen passivation, rather than being limited by the defect passivation rate. An acceleration of the defect formation rate is also observed to increase both the effectiveness and speed of carrier-induced degradation mitigation, whereas increases in the passivation rate do not lead to a substantial acceleration of the hydrogen passivation process. For high-throughput mitigation of such carrier-induced degradation on finished solar cell devices, two key factors were found to be required, high-injection conditions (such as by using high intensity illumination) to enable an acceleration of defect formation whilst simultaneously enabling a rapid passivation of the formed defects, and a high temperature to accelerate both defect formation and defect passivation whilst still ensuring an effective mitigation of carrier-induced degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Current-driven nanowire formation on surfaces of crystalline conducting substrates

The formation and precise manipulation of nanoscale features by controlling macroscopic forces is essential to advancing nanotechnology. Toward this end, we report here a theoretical study on formation of nanowires with precisely controlled widths, starting from single-layer conducting islands on crystalline conducting substrates under the controlled action of macroscopic forcing provided by an externally applied electric field that drives island edge electromigration. Numerical simulations based on an experimentally validated model and supported by linear stability theory show that large-size islands undergo a current-induced fingering instability, leading to nanowire formation after finger growth. Depending on the substrate surface crystallographic orientation, necking instabilities after fingering lead to the formation of multiple parallel nanowires per island. In all cases, the axis of the formed nanowires is aligned with the direction of the externally applied electric field. The nanowires have constant widths, on the order of 10 nm, which can be tuned by controlling the externally applied electric field strength. In conclusion, our findings have important implications for developing future lithography-free nanofabrication and nanoelectronic patterning techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The influence of projectile ion induced chemistry on surface pattern formation

We report the critical role of projectile induced chemical inhomogeneity on surface nanostructure formation. Experimental inconsistency is common for low energy ion beam induced nanostructure formation in the presence of uncontrolled and complex contamination. To explore the precise role of contamination on such structure formation during low energy ion bombardment, a simple and clean experimental study is performed by selecting mono-element semiconductors as the target and chemically inert or reactive ion beams as the projectile as well as the source of controlled contamination. It is shown by Atomic Force Microscopy, Cross-sectional Transmission Electron Microscopy, and Electron Energy Loss Spectroscopy measurements that bombardment of nitrogen-like reactive ions on Silicon and Germanium surfaces forms a chemical compound at impact zones. Continuous bombardment of the same ions generates surface instability due to unequal sputtering and non-uniform re-arrangement of the elemental atom and compound. This instability leads to ripple formation during ion bombardment. For Argon-like chemically inert ion bombardment, the chemical inhomogeneity induced boost is absent; as a result, no ripples are observed in the same ion energy and fluence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗