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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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DOE OSTI2024

BCS-BEC crossover of the strongly interacting 6 Li − 40 K mixture

Here, we present quantum Monte Carlo calculations of the properties of a two-component mass-imbalanced Fermi gas, corresponding to the 6 Li − 40 K mixture. We compute the equation of state of the unpolarized system as a function of the scattering length with particular attention paid to the unitary limit, where the effect of the effective range of the interaction is explored. In order to investigate differences from the equal-mass case we also compute the pair-distribution function and the momentum distribution over a range of interaction strengths, which can provide information about the structure of the system. Finally, we compute the heavy-light quasiparticle spectrum for the full crossover regime. Our theoretical predictions, based on quantum Monte Carlo calculations, should inform future theoretical studies and can be tested by experiments with ultracold fermionic gases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

B- AND A-TYPE STARS IN THE TAURUS-AURIGA STAR-FORMING REGION

We describe the results of a search for early-type stars associated with the Taurus-Auriga molecular cloud complex, a diffuse nearby star-forming region noted as lacking young stars of intermediate and high mass. We investigate several sets of possible O, B, and early A spectral class members. The first is a group of stars for which mid-infrared images show bright nebulae, all of which can be associated with stars of spectral-type B. The second group consists of early-type stars compiled from (1) literature listings in SIMBAD, (2) B stars with infrared excesses selected from the Spitzer Space Telescope survey of the Taurus cloud, (3) magnitude- and color-selected point sources from the Two Micron All Sky Survey, and (4) spectroscopically identified early-type stars from the Sloan Digital Sky Survey coverage of the Taurus region. We evaluated stars for membership in the Taurus-Auriga star formation region based on criteria involving: spectroscopic and parallactic distances, proper motions and radial velocities, and infrared excesses or line emission indicative of stellar youth. For selected objects, we also model the scattered and emitted radiation from reflection nebulosity and compare the results with the observed spectral energy distributions to further test the plausibility of physical association of the B stars with the Taurus cloud. This investigation newly identifies as probable Taurus members three B-type stars: HR 1445 (HD 28929), {tau} Tau (HD 29763), 72 Tau (HD 28149), and two A-type stars: HD 31305 and HD 26212, thus doubling the number of stars A5 or earlier associated with the Taurus clouds. Several additional early-type sources including HD 29659 and HD 283815 meet some, but not all, of the membership criteria and therefore are plausible, though not secure, members.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Data Needs for Modeling Low-Temperature Non-Equilibrium Plasmas: The LXCat Project, History, Perspectives and a Tutorial

Technologies based on non-equilibrium, low-temperature plasmas are ubiquitous in today’s society. Plasma modeling plays an essential role in their understanding, development and optimization. An accurate description of electron and ion collisions with neutrals and their transport is required to correctly describe plasma properties as a function of external parameters. LXCat is an open-access, web-based platform for storing, exchanging and manipulating data needed for modeling the electron and ion components of non-equilibrium, low-temperature plasmas. The data types supported by LXCat are electron- and ion-scattering cross-sections with neutrals (total and differential), interaction potentials, oscillator strengths, and electron- and ion-swarm/transport parameters. Online tools allow users to identify and compare the data through plotting routines, and use the data to generate swarm parameters and reaction rates with the integrated electron Boltzmann solver. In this review, the historical evolution of the project and some perspectives on its future are discussed together with a tutorial review for using data from LXCat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Experimental study of parametric dependence of electron-scale turbulence in a spherical tokamak

Electron-scale turbulence is predicted to drive anomalous electron thermal transport. However, experimental study of its relation with transport is still in its early stage. On the National Spherical Tokamak Experiment (NSTX), electron-scale density fluctuations are studied with a novel tangential microwave scattering system with high radial resolution of {+-}2 cm. Here, we report a study of parametric dependence of electron-scale turbulence in NSTX H-mode plasmas. The dependence on density gradient is studied through the observation of a large density gradient variation in the core induced by an edge localized mode (ELM) event, where we found the first clear experimental evidence of density gradient stabilization of electron-gyro scale turbulence in a fusion plasma. This observation, coupled with linear gyro-kinetic calculations, leads to the identification of the observed instability as toroidal electron temperature gradient (ETG) modes. It is observed that longer wavelength ETG modes, k{sub Up-Tack }{rho}{sub s} Less-Than-Or-Equivalent-To 10 ({rho}{sub s} is the ion gyroradius at electron temperature and k{sub Up-Tack} is the wavenumber perpendicular to local equilibrium magnetic field), are most stabilized by density gradient, and the stabilization is accompanied by about a factor of two decrease in electron thermal diffusivity. Comparisons with nonlinear ETG gyrokinetic simulations show ETG turbulence may be able to explain the experimental electron heat flux observed before the ELM event. The collisionality dependence of electron-scale turbulence is also studied by systematically varying plasma current and toroidal field, so that electron gyroradius ({rho}{sub e}), electron beta ({beta}{sub e}), and safety factor (q{sub 95}) are kept approximately constant. More than a factor of two change in electron collisionality, {nu}{sub e}{sup *}, was achieved, and we found that the spectral power of electron-scale turbulence appears to increase as {nu}{sub e}{sup *} is decreased in this collisonality scan. However, both linear and nonlinear simulations show no or weak dependence with the electron-ion collision frequency, {nu}{sup e/i}. Instead, other equilibrium parameters (safety factor, electron density gradient, for example) affect ETG linear growth rate and electron thermal transport more than {nu}{sup e/i} does. Furthermore, electron heat flux predicted by the simulations is found to have an order-of-magnitude spatial variation in the experimental measurement region and is also found to be much smaller than experimental levels except at one radial location we evaluated. The predicted electron heat flux is shown to be strongly anti-correlated with density gradient, which varies for a factor of three in the measurement region, which is in agreement with the density gradient dependence study reported in this paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Non-thermal electron acceleration in low Mach number collisionless shocks. I. Particle energy spectra and acceleration mechanism

Electron acceleration to non-thermal energies in low Mach number (M{sub s} ≲ 5) shocks is revealed by radio and X-ray observations of galaxy clusters and solar flares, but the electron acceleration mechanism remains poorly understood. Diffusive shock acceleration, also known as first-order Fermi acceleration, cannot be directly invoked to explain the acceleration of electrons. Rather, an additional mechanism is required to pre-accelerate the electrons from thermal to supra-thermal energies, so they can then participate in the Fermi process. In this work, we use two- and three-dimensional particle-in-cell plasma simulations to study electron acceleration in low Mach number shocks. We focus on the particle energy spectra and the acceleration mechanism in a reference run with M{sub s} = 3 and a quasi-perpendicular pre-shock magnetic field. We find that about 15% of the electrons can be efficiently accelerated, forming a non-thermal power-law tail in the energy spectrum with a slope of p ≅ 2.4. Initially, thermal electrons are energized at the shock front via shock drift acceleration (SDA). The accelerated electrons are then reflected back upstream where their interaction with the incoming flow generates magnetic waves. In turn, the waves scatter the electrons propagating upstream back toward the shock for further energization via SDA. In summary, the self-generated waves allow for repeated cycles of SDA, similarly to a sustained Fermi-like process. This mechanism offers a natural solution to the conflict between the bright radio synchrotron emission observed from the outskirts of galaxy clusters and the low electron acceleration efficiency usually expected in low Mach number shocks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Energetics of 2D and 3D Gold Nanoparticles on MgO(100): Influence of Particle Size and Defects on Gold Adsorption and Adhesion Energies

In this work, the adsorption of gold vapor onto MgO(100) films grown on Mo(100) was studied at 300 and 100 K using single crystal adsorption calorimetry (SCAC). The Au particle morphology was investigated using He + low-energy ion scattering spectroscopy (LEIS) and X-ray photoelectron spectroscopy (XPS). The LEIS data combined with particle shape measurements from the literature reveal that, at both 300 K and 100 K, Au grows as 2D islands with bilayer thickness (~0.41 nm) up to a diameter of ~7 nm. At higher coverage, the islands thicken with little increase in diameter. The island densities are 3.0 x10 11 and 5.4 x10 11 per cm 2 at 300 K and 100 K, respectively. The initial sticking probability of Au is 0.90 at 300 K and 0.95 at 100 K. The surface residence time of the Au atoms that do not stick is <10 ms, implying that gold monomers bind to MgO(100) weakly (<69 kJ/mol). The adsorption energies indicate that Au particles of the same size bind more strongly to MgO(100) when grown at 300 K than at 100 K, which we attribute to Au binding to step edges or defects at 300 K, but at perfect MgO(100) terraces at 100 K (because Au diffusion is too slow to find defects). The adsorption energy of Au onto ~30-atom Au clusters is 285 kJ/mol at 300 K, ~68 kJ/mol higher than at 100 K, attributed to the difference between particles on defects versus terraces. Similarly, the adhesion energy of Au nanoparticles to MgO(100) extracted from the adsorption energies at 300 K is much higher (1.8 J/m 2 for ~7 nm particles at defects) than at 100 K (0.3 J/m 2 for ~7 nm particles at terraces). This 100 K adhesion energy is close to that estimated from electron-microscopy shape measurements of Au particles at terraces on MgO(100) (0.45-0.67 J/m 2 ). The heat of Au adsorption and Au 2 chemical potential change by >100 kJ/mol as gold’s 2D island size increases from 0.7 to 7 nm diameter, implying dramatic changes in catalytic activity and sintering rates with 2D diameter. This is the first experimental measurement of any metal adsorption energy on any oxide as a function of island diameter when making 2D islands, as well as the first direct comparison of any adhesion energy found from calorimetric adsorption energies to that from particle shape analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Simultaneous measurements of kinetic and scalar energy spectrum time evolution in the Richtmyer–Meshkov instability upon reshock

The Richtmyer–Meshkov instability (Richtmyer, Commun. Pure Appl. Maths , vol. 13, issue 2, 1960, pp. 297–319; Meshkov, Fluid Dyn. , vol. 4, issue 5, 1972, pp. 101–104) of a twice-shocked gas interface is studied using both high spatial resolution single-shot (SS) and lower spatial resolution, time-resolved, high-speed (HS) simultaneous planar laser-induced fluorescence and particle image velocimetry in the Wisconsin Shock Tube Laboratory's vertical shock tube. The initial condition (IC) is a shear layer with broadband diffuse perturbations at the interface between a helium–acetone mixture and argon. This IC is accelerated by a shock of nominal strength Mach number $M = 1.75$ , and then accelerated again by the transmitted shock that reflects off the end wall of the tube. An ensemble of experiments is analysed after reshock while the interface mixing width grows linearly with time. The kinetic and scalar energy spectra and the terms of their evolution equation are calculated and compared between SS and HS experiments. The inertial range scaling of the scalar power spectrum is found to follow Gibson's relation (Gibson, Phys. Fluids , vol. 11, issue 11, 1968, pp. 2316–2327) as a function of Schmidt number when the effective turbulent Schmidt number is used in place of the material Schmidt number that controls equilibrium scaling. Further, the spatially integrated scalar flux follows similar behaviour observed for the kinetic energy in large eddy simulation studies by Zeng et al. ( Phys. Fluids , vol. 30, issue 6, 2018, 064106) while the spatially varying scalar flux exhibits back scatter along the centre of the mixing layer and forward energy transfer in the spike and bubble regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method

Practical applications of the real-space diffusion Monte Carlo (DMC) method require the removal of core electrons, where currently localization approximations of semilocal potentials are generally used in the projector. Accurate calculations of complex solids and large molecules demand minimizing the impact of approximated atomic cores. Prior works have shown that the errors from such approximations can be sizable in both finite and periodic systems. In this work, we show that a class of differential pseudopotentials, known as pseudo-Hamiltonians, can be constructed for the 3d transition metal atoms, entirely removing the need for any localization scheme in the DMC projector. As a proof of principle, we demonstrate the approach for the case of Co. In order to minimize errors in the pseudo-Hamiltonian at the many-body level, we generalize the recently proposed correlation-consistent pseudopotential generation scheme to successively close semilocal representations of the differential potentials. Our generation scheme successfully produces potentials tailored specifically for real space projector quantum Monte Carlo methods with low error at the many-body level, i.e., with many-body scattering properties very close to relativistic all-electron results. In particular, we show that the agreement with respect to atomic and molecular quantities reach chemical accuracy in many cases-on par with the most accurate semilocal pseudopotentials available. Further, our pseudo-Hamiltonian generation scheme utilizes standard quantum chemistry codes designed only to work with semilocal pseudopotentials, enabling straightforward generation of pseudo-Hamiltonians for additional elements in future works.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Shear-free mixing to achieve accurate temporospatial nanoscale kinetics through scanning-SAXS: ion-induced phase transition of dispersed cellulose nanocrystals

Time-resolved in situ characterization of well-defined mixing processes using small-angle X-ray scattering (SAXS) is usually challenging, especially if the process involves changes of material viscoelasticity. In specific, it can be difficult to create a continuous mixing experiment without shearing the material of interest; a desirable situation since shear flow both affects nanoscale structures and flow stability as well as resulting in unreliable time-resolved data. Here, we demonstrate a flow-focusing mixing device for in situ nanostructural characterization using scanning-SAXS. Given the interfacial tension and viscosity ratio between core and sheath fluids, the core material confined by sheath flows is completely detached from the walls and forms a zero-shear plug flow at the channel center, allowing for a trivial conversion of spatial coordinates to mixing times. With this technique, the time-resolved gel formation of dispersed cellulose nanocrystals (CNCs) was studied by mixing with a sodium chloride solution. It is observed how locally ordered regions, so called tactoids, are disrupted when the added monovalent ions affect the electrostatic interactions, which in turn leads to a loss of CNC alignment through enhanced rotary diffusion. The demonstrated flow-focusing scanning-SAXS technique can be used to unveil important kinetics during structural formation of nanocellulosic materials. However, the same technique is also applicable in many soft matter systems to provide new insights into the nanoscale dynamics during mixing.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Synchrotron x-ray study of a low roughness and high efficiency K 2 CsSb photocathode during film growth

Reduction of roughness to the nm level is critical of achieving the ultimate performance from photocathodes used in high gradient fields. The thrust of this paper is to explore the evolution of roughness during sequential growth, and to show that deposition of multilayer structures consisting of very thin reacted layers results in an nm level smooth photocathode. Synchrotron x-ray methods were applied to study the multi-step growth process of a high efficiency K 2 CsSb photocathode. We observed a transition point of the Sb film grown on Si at the film thickness of similar to 40 angstrom with the substrate temperature at 100 degrees C and the growth rate at 0.1 Å s -1 . The final K 2 CsSb photocathode exhibits a thickness of around five times that of the total deposited Sb film regardless of how the Sb film was grown. The film surface roughening process occurs first at the step when K diffuses into the crystalline Sb. Furthermore, the photocathode we obtained from the multi-step growth exhibits roughness in an order of magnitude lower than the normal sequential process. X-ray diffraction measurements show that the material goes through two structural changes of the crystalline phase during formation, from crystalline Sb to K 3 Sb and finally to K 2 CsSb.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multiwavelength Observations of 2HWC J1928+177: Dark Accelerator or New TeV Gamma-Ray Binary?

2HWC J1928+177 is a Galactic TeV gamma-ray source detected by the High Altitude Water Cherenkov (HAWC) Observatory up to ~56 TeV. The HAWC source, later confirmed by the High Energy Stereoscopic System, still remains unidentified as a dark accelerator since there is no apparent supernova remnant or pulsar wind nebula detected in the lower-energy bands. The radio pulsar PSR J1928+1746, coinciding with the HAWC source position, has no X-ray counterpart. In this work, our SED modeling shows that inverse Compton scattering in the putative pulsar wind nebula can account for the TeV emission only if the unseen nebula is extended beyond $r\sim 4^{\prime} $. Alternatively, TeV gamma-rays may be produced by hadronic interactions between relativistic protons from an undetected supernova remnant associated with the radio pulsar and a nearby molecular cloud G52.9+0.1. NuSTAR and Chandra observations detected a variable X-ray point source within the HAWC error circle, potentially associated with a bright infrared (IR) source. The X-ray spectra can be fitted with an absorbed power-law model with N H = (9 ± 3) × 10 22 cm –2 and Γ X = 1.6 ± 0.3 and exhibit long-term X-ray flux variability over the last decade. If the X-ray source, possibly associated with the IR source (likely an O star), is the counterpart of the HAWC source, it may be a new TeV gamma-ray binary powered by collisions between the pulsar wind and stellar wind. Follow-up X-ray observations are warranted to search for diffuse X-ray emission and determine the nature of the HAWC source.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Constraints on cosmic-ray efficiency in the supernova remnant RCW 86 using multi-wavelength observations

Several young supernova remnants (SNRs) have recently been detected in the high-energy (HE; 0.1 < E < 100 GeV) and very-high-energy (VHE; E > 100 GeV) gamma-ray domains. As exemplified by RX J1713.7-3946, the nature of this emission has been hotly debated, and direct evidence for the efficient acceleration of cosmic-ray protons at the SNR shocks still remains elusive. Here, we study the broadband gamma-ray emission from one of these young SNRs, namely RCW 86, for which several observational lines of evidence indirectly point towards the presence of accelerated hadrons. We then attempt to detect any putative hadronic signal from this SNR in the available gamma-ray data, in order to assess the level of acceleration efficiency. We also analyzed more than 40 months of data acquired by the Large Area Telescope (LAT) on-board the Fermi Gamma-Ray Space Telescope in the HE domain, and gathered all of the relevant multi-wavelength (from radio to VHE gamma-rays) information about the broadband nonthermal emission from RCW 86. For this purpose, we re-analyzed the archival X-ray data from the ASCA/Gas Imaging Spectrometer (GIS), the XMM-Newton/EPIC-MOS, and the RXTE/Proportional Counter Array (PCA). Beyond the expected Galactic diffuse background, no significant gamma-ray emission in the direction of RCW 86 is detected in any of the 0.1–1, 1–10 and 10–100 GeV Fermi-LAT maps. The derived HE upper limits, together with the H.E.S.S. measurements in the VHE domain, are incompatible with a standard D$-2\atop{p}$ hadronic emission arising from proton-proton interactions, and can only be accommodated by a spectral index Γ ≤ 1.8, i.e. a value in-between the standard (test-particle) index and the asymptotic limit of theoretical particle spectra in the case of strongly modified shocks. In such a hadronic scenario, the total energy in accelerated particles is at the level of ηCR = ECR/ESN ~0.07 d$2\atop{2.5}$kpc/$\tilde{n}$ (with the distance d 2.5 kpc ≡ d/2.5 kpc and the effective density $\tilde{n}$ ≡ $\tilde{n}$ /1 cm -3 ), and the average magnetic field must be stronger than 50 μG in order to significantly suppress any leptonic contribution. On the other hand, the interpretation of the gamma-ray emission by inverse Compton scattering of high energy electrons reproduces the multi-wavelength data using a reasonable value for the average magnetic field of 15–25 μG. In this leptonic scenario, we derive a conservative upper limit to ηCR of 0.04 d $2\atop{2.5}$ kpc/$\tilde{n}$. Furthermore, we discuss these results in the light of existing estimates of the magnetic field strength, the effective density and the acceleration efficiency in RCW 86.

2.3↗
DOE OSTI2024

Particle control via cryopumping and its impact on the edge plasma profiles of Alcator C-Mod

At the high n e proposed for high-field fusion reactors, it is uncertain whether ionization, as opposed to plasma transport, will be most influential in determining n e at the pedestal and separatrix. A database of Alcator C-Mod discharges is analyzed to evaluate the impact of source modification via cryopumping. The database contains similarly-shaped H-modes at fixed I P = 0.8 MA and B t = 5.4 T, spanning a large range in P net and ionization. Measurements from an edge Thomson scattering system are combined with those from a midplane-viewing Ly α camera to evaluate changes to n e and T e in response to changes in ionization rates, S ion ∙ $n^{sep}_e$ and $T^{ped}_e$ are found to be most sensitive to changes to $S^{sep}_{ion}$, as opposed to $n^{ped}_e$ and $T^{sep}_e$. Dimensionless quantities, namely α MHD and v*, are found to regulate attainable pedestal values. Select discharges at different values of P net and in different pumping configurations are analyzed further using SOLPS-ITER. It is determined that changes to plasma transport coefficients are required to self-consistently model both plasma and neutral edge dynamics. Pumping is found to modify the poloidal distribution of atomic neutral density, n 0 , along the separatrix, increasing n 0 at the active X-point. Opaqueness to neutrals from high n e in the divertor is found to play a role in mediating neutral penetration lengths and hence, the poloidal distribution of neutrals along the separatrix. Pumped discharges thus require a larger particle diffusion coefficient than that inferred purely from 1D experimental profiles at the outer midplane.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2011

In Situ Diffuse Reflectance IR Spectroscopy and X-ray Absorption Spectroscopy for Fast Catalytic Processes

A new instrument for synchronous in situ investigations of catalytic materials by IR and X-ray absorption spectroscopies was designed and built at the X18A beamline of the National Synchrotron Light Source of Brookhaven National Laboratory. It provides analytical tools for solving structural, electronic and kinetic problems in catalysis science by two complementary methods. Among the features attractive for catalysis research are the broad range of catalytically active elements that can be investigated (starting with Ni and beyond), the wide range of reaction conditions (temperatures up to 873 K, various reactive gases) and time scales (starting from tens of seconds). The results of several representative experiments that illustrate the attractive capabilities of the new set-up are discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Interphase Structures and Dynamics near Nanofiller Surfaces in Polymer Solutions

Here, we report the in situ structures and dynamics of hydrogenated polybutadiene (PB) chains bound to carbon black nanoparticle surfaces in polymer solutions composed of deuterated PB and deuterated toluene using small-angle neutron scattering and neutron spin-echo techniques together with molecular dynamics (MD) simulations. The experimental results showed that the swollen bound polymer chains exhibit the collective dynamics (the so-called breathing mode) at polymer concentrations ( c ) below and above the overlap polymer concentration ( c *) (i.e., 0.61 < c/c * < 1.83), where the concentration profiles of the bound polymer remained unchanged with the different c values. Interestingly, the collective dynamics slowed down by a factor of 2 compared to that in pure d-toluene when the chain lengths of the bound polymer and matrix polymer were equal. However, when the free polymer chains were longer than the bound polymer chains, the decrease in collective dynamics was not as significant. MD simulations were performed to explore the interfacial event as a whole. As a result, we found that the matrix polymer chains, whose length is equal to that of the bound polymer, can be accommodated in the bound polymer layer effectively and are “strangulated” by the bound polymer chains, while the longer matrix polymer chains only partly penetrate into the bound chains and the diffusion behavior was hardly affected compared to that in bulk.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The influence of fire aerosols on surface climate and gross primary production in the Energy Exascale Earth System Model (E3SM)

Fire-emitted aerosols play an important role in influencing Earth’s climate, directly by scattering and absorbing radiation and indirectly by influencing cloud microphysics. The quantification of fire-aerosol interactions, however, remains challenging and subject to uncertainties in emissions, plume parameterizations, and aerosol properties. Here we optimized fire-associated aerosol emissions in the Energy Exascale Earth System Model (E3SM) using the Global Fire Emissions Database (GFED) and AERONET aerosol optical depth (AOD) observations during 1997-2016. Furthermore, we distributed fire emissions vertically using smoke plume heights from Multi-angle Imaging SpectroRadiometer (MISR) satellite observations. From the optimization, we estimate that global fires emit 45.5 Tg y -1 of primary particulate organic matter and 3.9 Tg y -1 of black carbon. We then performed two climate simulations with and without the optimized fire emissions. We find that fire aerosols significantly increase global AOD by 14 ± 7% and contribute to a reduction in net shortwave radiation at the surface (-2.3 ± 0.5 W m -2 ). Together, fire-induced direct and indirect aerosol effects cause annual mean global land surface air temperature to decrease by 0.17 ± 0.15°C, relative humidity to increase by 0.4 ± 0.3%, and diffuse light fraction to increase by 0.5 ± 0.3%. In response, GPP declines by 2.8 Pg C y -1 , as a result of large positive drivers (decreases in temperature and increases in humidity and diffuse light) nearly cancelling out large negative drivers (decreases shortwave radiation and soil moisture). Our analysis highlights the importance of fire aerosols in modifying surface climate and photosynthesis across the tropics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Synthesis and Characterization of Ba(Zr{sub x}Ti{sub 1-x})O{sub 3} Solid Solutions Using Impedance Spectroscopic Techniques

Technologically important solid solutions of Ba(Zr{sub x}Ti{sub 1-x})O{sub 3} are synthesized using conventional solid state route. Relatively dense and single phase ceramics are confirmed using X-ray diffraction. Homogeneous and micron size grain growth is characterized using SEM. Impedance spectroscopy is used to study the electrical properties of ceramics. Broad and diffuse impedance loss peak is observed above 250 deg. C, which shifts towards higher frequency with increase in temperature. The distribution of relaxation frequency may be associated with the B-site cationic disorder due to the random distribution of (Zr{sup 4+}/Ti{sup +4}) having different ionic radii. Impedance relaxation obeys the Arrhenius relation with activation energy, E{tau} is 0.31 eV and 0.48 eV for BZT compositions with x = 0.10 and 0.15 respectively. Equivalent circuit representation using two RC element coupled in parallel is used to analyse the impedance response.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Structural and optical properties of size controlled Si nanocrystals in Si{sub 3}N{sub 4} matrix: The nature of photoluminescence peak shift

Superlattices of Si{sub 3}N{sub 4} and Si-rich silicon nitride thin layers with varying thickness were prepared by plasma enhanced chemical vapor deposition. After high temperature annealing, Si nanocrystals were formed in the former Si-rich nitride layers. The control of the Si quantum dots size via the SiN{sub x} layer thickness was confirmed by transmission electron microscopy. The size of the nanocrystals was well in agreement with the former thickness of the respective Si-rich silicon nitride layers. In addition X-ray diffraction evidenced that the Si quantum dots are crystalline whereas the Si{sub 3}N{sub 4} matrix remains amorphous even after annealing at 1200 °C. Despite the proven Si nanocrystals formation with controlled sizes, the photoluminescence was 2 orders of magnitude weaker than for Si nanocrystals in SiO{sub 2} matrix. Also, a systematic peak shift was not found. The SiN{sub x}/Si{sub 3}N{sub 4} superlattices showed photoluminescence peak positions in the range of 540–660 nm (2.3–1.9 eV), thus quite similar to the bulk Si{sub 3}N{sub 4} film having peak position at 577 nm (2.15 eV). These rather weak shifts and scattering around the position observed for stoichiometric Si{sub 3}N{sub 4} are not in agreement with quantum confinement theory. Therefore theoretical calculations coupled with the experimental results of different barrier thicknesses were performed. As a result the commonly observed photoluminescence red shift, which was previously often attributed to quantum-confinement effect for silicon nanocrystals, was well described by the interference effect of Si{sub 3}N{sub 4} surrounding matrix luminescence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗