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At least 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Heterogeneity in Local Chemical Bonding Explains Spectral Broadening in Quantum Dots with Cu Impurities

Quantum dots (QDs) with optically active Cu impurities have been proposed as heavy-metal-free alternatives to Cd and Pb chalcogenides. However, the origin of their unusual optical properties is not well understood. In particular, spectral broadening is an issue for their use in high-color-purity light-emitting diodes and reabsorption-free solar windows. In this paper, we show with density functional theory calculations that chemical bonding variations have a major effect on the optical properties of Cu-doped ZnSe QDs. The Cu–Se coordination sphere is highly covalent and therefore sensitive to local variations in electrostatics and bond geometry. Correspondingly, changes in the Cu impurity environment lead to large shifts in their ground-state energy, which causes spectral broadening when multiple Cu impurity bonding environments coexist as subensembles with distinct absorption and emission energies. We conclude that while electron–phonon coupling is stronger for these systems than for typical II–VI QDs, spectral broadening predominantly occurs because of the inhomogeneous spatial distribution of Cu impurities. This is in agreement with a study that has shown narrow (~60 meV) single-particle emission linewidths for Cu x In 2–x Se y S 2–y or “CIS” QDs, which also emit through Cu impurities. Therefore, we predict that narrow ensemble emission in photonic devices can be achieved if heterogeneity is controlled.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Direct Measurements of Magnetic Polarons in Cd 1– x Mn x Se Nanocrystals from Resonant Photoluminescence

In semiconductors, quantum confinement can greatly enhance the interaction between band carriers (electrons and holes) and dopant atoms. One manifestation of this enhancement is the increased stability of exciton magnetic polarons in magnetically doped nanostructures. In the limit of very strong 0D confinement that is realized in colloidal semiconductor nanocrystals, a single exciton can exert an effective exchange field B ex on the embedded magnetic dopants that exceeds several tesla. Here we use the very sensitive method of resonant photoluminescence (PL) to directly measure the presence and properties of exciton magnetic polarons in colloidal Cd 1–x Mn x Se nanocrystals. Despite small Mn 2+ concentrations (x = 0.4–1.6%), large polaron binding energies up to ~26 meV are observed at low temperatures via the substantial Stokes shift between the pump laser and the resonant PL maximum, indicating nearly complete alignment of all Mn 2+ spins by B ex ex ≈ 10 T in these nanocrystals, in good agreement with theoretical estimates. Further, the emission line widths provide direct insight into the statistical fluctuations of the Mn 2+ spins. In conclusion, these resonant PL studies provide detailed insight into collective magnetic phenomena, especially in lightly doped nanocrystals where conventional techniques such as nonresonant PL or time-resolved PL provide ambiguous results.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Recent progress in the theory of bulk photovoltaic effect

The bulk photovoltaic effect (BPVE) occurs in solids with broken inversion symmetry and refers to DC generation due to uniform illumination, without the need of heterostructures or interfaces, a feature that is distinct from the traditional photovoltaic effect. Its existence has been demonstrated almost 50 years ago, but predictive theories only appeared in the last ten years, allowing for the identification of different mechanisms and the determination of their relative importance in real materials. It is now generally accepted that there is an intrinsic mechanism that is insensitive to scattering, called shift current, where first-principles calculations can now give highly accurate predictions. Another important but more extrinsic mechanism, called ballistic current, is also attracting a great deal of attention, but due to the complicated scattering processes, its numerical calculation for real materials is only made possible quite recently. In addition, an intrinsic ballistic current, usually referred to as injection current, will appear under circularly polarized light and has wide application in experiments. In this review, experiments that are pertinent to the theory development are reviewed, and a significant portion is devoted to discussing the recent progress in the theories of BPVE and their numerical implementations. As a demonstration of the capability of the newly developed theories, a brief review of the materials' design strategies enabled by the theory development is given. Finally, remaining questions in the BPVE field and possible future directions are discussed to inspire further investigations.

Dai, Zhenbang (ORCID:0000000333046008)↗
DOE OSTI2015

PHYSICAL AND MORPHOLOGICAL PROPERTIES OF [O II] EMITTING GALAXIES IN THE HETDEX PILOT SURVEY

The Hobby-Eberly Dark Energy Experiment pilot survey identified 284 [O II] λ3727 emitting galaxies in a 169 arcmin{sup 2} field of sky in the redshift range 0 < z < 0.57. This line flux limited sample provides a bridge between studies in the local universe and higher-redshift [O II] surveys. We present an analysis of the star formation rates (SFRs) of these galaxies as a function of stellar mass as determined via spectral energy distribution fitting. The [O II] emitters fall on the ''main sequence'' of star-forming galaxies with SFR decreasing at lower masses and redshifts. However, the slope of our relation is flatter than that found for most other samples, a result of the metallicity dependence of the [O II] star formation rate indicator. The mass-specific SFR is higher for lower mass objects, supporting the idea that massive galaxies formed more quickly and efficiently than their lower mass counterparts. This is confirmed by the fact that the equivalent widths of the [O II] emission lines trend smaller with larger stellar mass. Examination of the morphologies of the [O II] emitters reveals that their star formation is not a result of mergers, and the galaxies' half-light radii do not indicate evolution of physical sizes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Measuring the speed of light with ultra-compact radio quasars

In this paper, based on a 2.29 GHz VLBI all-sky survey of 613 milliarcsecond ultra-compact radio sources with 0.0035< z <3.787, we describe a method of identifying the sub-sample which can serve as individual standard rulers in cosmology. If the linear size of the compact structure is assumed to depend on source luminosity and redshift as l {sub m} = l L {sup β} (1+ z ) {sup n} , only intermediate-luminosity quasars (10{sup 27} W/Hz< L < 10{sup 28} W/Hz) show negligible dependence (| n |≅ 10{sup −3}, |β|≅ 10{sup −4}), and thus represent a population of such rulers with fixed characteristic length l =11.42 pc. With a sample of 120 such sources covering the redshift range 00.46< z <2.8, we confirm the existence of dark energy in the Universe with high significance under the assumption of a flat universe, and obtain stringent constraints on both the matter density Ω {sub m} =0.323{sup +0.245}{sub −0.145} and the Hubble constant H {sub 0}=66.30{sup +7.00}{sub −8.50} km sec{sup −1} Mpc{sup −1}. Finally, with the angular diameter distances D {sub A} measured for quasars extending to high redshifts (0 z ∼ 3.), we reconstruct the D {sub A} ( z ) function using the technique of Gaussian processes. This allows us to identify the redshift corresponding to the maximum of the D {sub A} ( z ) function: 0 z {sub m} =1.7 and the corresponding angular diameter distance D {sub A} ( z {sub m} )=1719.01±43.46 Mpc. Similar reconstruction of the expansion rate function H ( z ) based on the data from cosmic chronometers and BAO gives us H ( z {sub m} )=176.77±6.11 km sec{sup −1} Mpc{sup −1}. These measurements are used to estimate the speed of light: c =3.039(±0.180)× 10{sup 5} km/s. This is the first measurement of the speed of light in a cosmological setting referring to the distant past.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Phosphate Limitation Responses in Marine Green Algae Are Linked to Reprogramming of the tRNA Epitranscriptome and Codon Usage Bias

Marine algae are central to global carbon fixation, and their productivity is dictated largely by resource availability. Reduced nutrient availability is predicted for vast oceanic regions as an outcome of climate change; however, there is much to learn regarding response mechanisms of the tiny picoplankton that thrive in these environments, especially eukaryotic phytoplankton. Here, we investigate responses of the picoeukaryote Micromonas commoda, a green alga found throughout subtropical and tropical oceans. Under shifting phosphate availability scenarios, transcriptomic analyses revealed altered expression of transfer RNA modification enzymes and biased codon usage of transcripts more abundant during phosphate-limiting versus phosphate-replete conditions, consistent with the role of transfer RNA modifications in regulating codon recognition. To associate the observed shift in the expression of the transfer RNA modification enzyme complement with the transfer RNAs encoded by M. commoda, we also determined the transfer RNA repertoire of this alga revealing potential targets of the modification enzymes. Codon usage bias was particularly pronounced in transcripts encoding proteins with direct roles in managing phosphate limitation and photosystem-associated proteins that have ill-characterized putative functions in “light stress.” The observed codon usage bias corresponds to a proposed stress response mechanism in which the interplay between stress-induced changes in transfer RNA modifications and skewed codon usage in certain essential response genes drives preferential translation of the encoded proteins. Collectively, we expose a potential underlying mechanism for achieving growth under enhanced nutrient limitation that extends beyond the catalog of up- or downregulated protein-encoding genes to the cell biological controls that underpin acclimation to changing environmental conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Rapid Crossing of a Resonance During Tune Modulation by Synchrotron Oscillations

It had become a standard practice to constrain the particle’s tune footprint while designing the ring lattice so that the particle tunes fit between harmful resonances that limit ring dynamic aperture (DA). This approach, known as “tune confinement”, puts tight limits on the magnitude of the tune shifts with amplitude and with momentum. The latter requires labor-intensive optimization of the off-energy dynamic aperture and control over the corresponding tune footprint for the large energy deviations and is a prerequisite to achieving reasonable lifetime if it is dominated by the Touschek scattering. As nonlinearities of the modern ring lattices are much enhanced as compared with the previous generation of synchrotron light sources, it is becoming more and more difficult to keep the off-momentum tune footprint confined. While one could reach reasonable on-energy DA suitable for injection into the machine, the off-energy DA optimization is much more complex and needs to satisfy more constraints so to reach large energy acceptance and secure decent lifetime at the high ring current. In certain cases when the lattice solution with the confined off-energy tune footprint cannot be found, one may ask whether crossing of a resonance stopband from off-momentum particle will lead to loss of this particle. Intuitively, if the particle crosses the stopband quickly, one may expect that the betatron oscillation amplitude will not increase substantially thereby keeping the particle within the machine acceptance. At the same time the tight tolerances of the modern lattice elements as designed and produced afford much narrower resonance stopbands being compared with the machines built decades ago. Under these circumstances the question above may be asked as what are the conditions for operating a ring with a large chromatic tune footprint, which crosses resonances, while not observing particle losses. In this paper we try to answer the questions above by studying the model of a particle with large initial momentum deviation (as, for example, driven by the Touschek scattering event), which crosses stopband of a half-integer resonance while executing synchrotron oscillations in the highly chromatic ring lattice.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Texas Instruments' virtual phase charge-coupled device (CCD) imager operated in the frontside electron-bombarded mode

The present investigation is concerned with the suitability of the virtual phase CCD imager for frontside detection of electrons up to 25 keV. The investigation has the objective to determine if the imager can be used in the frontside mode with a photocathode to detect very low light levels in astronomical applications, the ultimate goal being individual photon detection. It is found that the standard virtual phase imager will function properly over an extended period at low levels of 20 kV electron irradiation consistent with photon counting applications. The imager can detect individual primary electrons with nearly 100 percent efficiency. However, further studies are needed to determine the mechanisms for the flat band shifts so that the imager design may be modified to eliminate or at least reduce them.

Everett, P.↗
NASA NTRS2016

Global Positioning System Energetic Particle Data: The Next Space Weather Data Revolution

The Global Positioning System (GPS) has revolutionized the process of getting from point A to point Band so much more. A large fraction of the worlds population relies on GPS (and its counterparts from other nations) for precision timing, location, and navigation. Most GPS users are unaware that the spacecraft providing the signals they rely on are operating in a very harsh space environment the radiation belts where energetic particles trapped in Earths magnetic field dash about at nearly the speed of light. These subatomic particles relentlessly pummel GPS satellites. So by design, every GPS satellite and its sensors are radiation hardened. Each spacecraft carries particle detectors that provide health and status data to system operators. Although these data reveal much about the state of the space radiation environment, heretofore they have been available only to system operators and supporting scientists. Research scientists have long sought a policy shift to allow more general access. With the release of the National Space Weather Strategy and Action Plan organized by the White House Office of Science Technology Policy (OSTP) a sample of these data have been made available to space weather researchers. Los Alamos National Laboratory (LANL) and the National Center for Environmental Information released a months worth of GPS energetic particle data from an interval of heightened space weather activity in early 2014 with the hope of stimulating integration of these data sets into the research arena. Even before the public data release GPS support scientists from LANL showed the extraordinary promise of these data.

Knipp, Delores J.↗
DOE OSTI2014

Variations of the stellar initial mass function in the progenitors of massive early-type galaxies and in extreme starburst environments

We examine variations of the stellar initial mass function (IMF) in extreme environments within the formalism derived by Hennebelle and Chabrier. We focus on conditions encountered in progenitors of massive early-type galaxies and starburst regions. We show that, when applying the concept of turbulent Jeans mass as the characteristic mass for fragmentation in a turbulent medium, the peak of the IMF in such environments is shifted toward smaller masses, leading to a bottom-heavy IMF, as suggested by various observations. In very dense and turbulent environments, we predict that the high-mass tail of the IMF can become even steeper than the standard Salpeter IMF, with a limit for the power-law exponent α ≅ –2.7, in agreement with recent observational determinations. This steepening is a direct consequence of the high densities and Mach values in such regions but also of the time dependence of the fragmentation process, as incorporated in the Hennebelle-Chabrier theory. We provide analytical parameterizations of these IMFs in such environments to be used in galaxy evolution calculations. We also calculate the star-formation rates and the mass-to-light ratios expected under such extreme conditions and show that they agree well with the values inferred in starburst environments and massive high-redshift galaxies. This reinforces the paradigm of star formation as being a universal process, i.e., the direct outcome of gravitationally unstable fluctuations in a density field initially generated by large-scale, shock-dominated turbulence. This globally enables us to infer the variations of the stellar IMF and related properties for atypical galactic conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Effect of single atom Platinum (Pt) doping and facet dependent on the electronic structure and light absorption of Lanthanum Titanium Oxide (La 2 Ti 2 O 7 ): A Density Functional Theory study

Charge generation and separation are two key processes for semiconductor photocatalysis. Here, we use Pt as a single atom catalyst to systematically examine the facet-dependent electronic band structure and light absorption of the layered perovskite-type wide-gap semiconductor, lanthanum titanium oxide (La 2 Ti 2 O 7 , LTO) by means of density functional theory simulations. In this study, it is found that single Pt atom doping of different LTO surfaces (here, (100), (101) and (001)) can not only create states in the bandgap that would promote the formation of recombination centers, but also shift the optical absorption edge to the visible region. Interestingly, the Pt doping forms a heterojunction, with the valence band maximum consisting of Pt states and the conduction band minimum consisting of LTO states, respectively. To study the facet dependent surface activity, acetic acid (CH 3 COOH) was used as a model molecule to investigate the adsorption and charge transfer on the (101), (100) and (001) Pt-LTO surface facets. The results show that the (101) facet could enable stronger adsorption of CH 3 COOH by promoting more electron transfer during the interfacial interaction. Our theoretical findings aim to promote the design and optimization of the single atom catalysts (SACs) for photocatalytic applications and other broad catalysis systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Tunable Optical Properties and Increased Thermal Quenching in the Blue-Emitting Phosphor Series: Ba 2 (Y 1– x Lu x ) 5 B 5 O 17 :Ce 3+ ( x = 0–1)

The preparation of cerium-substituted barium lutetium borate, Ba2Lu5B5O17:Ce3+, is achieved using high temperature solid state synthesis. This compound crystallizes in the Ba2Y5B5O17-type structure and shows an efficient blue emission (λmax = 447 nm) when excited by UV-light (λex = 340 nm) with a photoluminescent quantum yield near 90%, a fast luminescence decay time (<40 ns), and a thermal quenching temperature of 452 K. Further, preparing a solid solution following Ba2(Y1–xLux)5B5O17:Ce3+ (x = 0, 0.25, 0.50, 0.75, 1) confirms that all compounds are isostructural and follow Vegard’s law. Substituting Y3+ for Lu3+ yields a nearly constant emission spectrum that blue-shifts by only 9 nm and has a consistent luminescence lifetime across the range prepared. The photoluminescent quantum yield (PLQY) and thermal quenching (T50) of the solid solution, however, are dramatically impacted by the composition, with the PLQY decreasing to ≈70% and the T50 dropping 49 K going from x = 1 to x = 0. These significant changes in the optical properties likely stem from enhanced structural rigidity as the larger, more polarizable Y3+ is substituted for the smaller, harder Lu3+ cation. These results highlight the importance of optimizing chemical bonding to improve a phosphor’s optical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Constraining neutron-star matter with microscopic and macroscopic collisions

Interpreting high-energy, astrophysical phenomena, such as supernova explosions or neutron-star collisions, requires a robust understanding of matter at supranuclear densities. However, our knowledge about dense matter explored in the cores of neutron stars remains limited. Fortunately, dense matter is not probed only in astrophysical observations, but also in terrestrial heavy-ion collision experiments. Here we use Bayesian inference to combine data from astrophysical multi-messenger observations of neutron stars and from heavy-ion collisions of gold nuclei at relativistic energies with microscopic nuclear theory calculations to improve our understanding of dense matter. We find that the inclusion of heavy-ion collision data indicates an increase in the pressure in dense matter relative to previous analyses, shifting neutron-star radii towards larger values, consistent with recent observations by the Neutron Star Interior Composition Explorer mission. Our findings show that constraints from heavy-ion collision experiments show a remarkable consistency with multi-messenger observations and provide complementary information on nuclear matter at intermediate densities. This work combines nuclear theory, nuclear experiment and astrophysical observations, and shows how joint analyses can shed light on the properties of neutron-rich supranuclear matter over the density range probed in neutron stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Asymptotic solution of light transport problems in optically thick luminescent media

We study light transport in optically thick luminescent random media. Using radiative transport theory for luminescent media and applying asymptotic and computational methods, a corrected diffusion approximation is derived with the associated boundary conditions and boundary layer solution. The accuracy of this approach is verified for a plane-parallel slab problem. In particular, the reduced system models accurately the effect of reabsorption. The impacts of varying the Stokes shift and using experimentally measured luminescence data are explored in detail. The results of this study have application to the design of luminescent solar concentrators, fluorescence medical imaging, and optical cooling using anti-Stokes fluorescence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Apertureless scanning microscope probe as a detector of semiconductor laser emission

An operating semiconductor laser has been studied using a scanning probe microscope. A shift of the resonance frequency of probe that is due to its heating by laser radiation has been analyzed. The observed shift is proportional to the absorbed radiation and can be used to measure the laser near field or its output power. A periodical dependence of the measured signal has been observed as a function of distance between the probe and the surface of the laser due to the interference of the outgoing and cantilever-reflected waves. Due to the multiple reflections resulting in the interference, the light absorption by the probe cantilever is greatly enhanced compared with a single pass case. Interaction of infrared emission of a diode laser with different probes has been studied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Early-type galaxy archeology: Ages, abundance ratios, and effective temperatures from full-spectrum fitting

The stellar populations of galaxies hold vital clues to their formation histories. In this paper we present results based on modeling stacked spectra of early-type galaxies drawn from the Sloan Digital Sky Survey as a function of velocity dispersion, σ, from 90 km s{sup –1} to 300 km s{sup –1}. The spectra are of extremely high quality, with typical signal-to-noise ratio of 1000 Å{sup –1}, and a wavelength coverage of 4000 Å –8800 Å. Our population synthesis model includes variation in 16 elements from C to Ba, a two-component star formation history, the shift in effective temperature, Δ T {sub eff}, of the stars with respect to a solar metallicity isochrone, and the stellar initial mass function, among other parameters. In our approach we fit the full optical spectra rather than a select number of spectral indices and are able to, for the first time, measure the abundances of the elements V, Cr, Mn, Co, and Ni from the integrated light of distant galaxies. Our main results are as follows: (1) light-weighted stellar ages range from 6-12 Gyr from low to high σ; (2) [Fe/H] varies by less than 0.1 dex across the entire sample; (3) Mg closely tracks O, and both increase from ≈0.0 at low σ to ∼0.25 at high σ; Si and Ti show a shallower rise with σ, and Ca tracks Fe rather than O; (4) the iron peak elements V, Cr, Mn, and Ni track Fe, while Co tracks O, suggesting that Co forms primarily in massive stars; (5) C and N track O over the full sample and [C/Fe] and [N/Fe] exceed 0.2 at high σ; and (6) the variation in Δ T {sub eff} with total metallicity closely follows theoretical predictions based on stellar evolution theory. This last result is significant because it implies that we are robustly solving not only for the detailed abundance patterns but also the detailed temperature distributions (i.e., isochrones) of the stars in these galaxies. A variety of tests reveal that the systematic uncertainties in our measurements are probably 0.05 dex or less. Our derived [Mg/Fe] and [O/Fe] abundance ratios are 0.05-0.1 dex lower than most previous determinations. Under the conventional interpretation that the variation in these ratios is due to star formation timescale variations, our results suggest longer star formation timescales for massive early-type galaxies than previous studies. Detailed chemical evolution models are necessary in order to translate the abundance ratio distributions of these galaxies into constraints on their formation histories. Alternatively, these data may provide useful constraints on the nucleosynthetic pathways for elements whose production is not well understood.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

PROBING THE SOLAR WIND ACCELERATION REGION WITH THE SUN-GRAZING COMET C/2002 S2

Comet C/2002 S2, a member of the Kreutz family of sungrazing comets, was discovered in white-light images of the Large Angle and Spectromeric Coronagraph Experiment coronagraph on the Solar and Heliospheric Observatory (SOHO) on 2002 September 18 and observed in H I Lyα emission by the SOHO Ultraviolet Coronagraph Spectrometer (UVCS) instrument at four different heights as it approached the Sun. The H I Lyα line profiles detected by UVCS are analyzed to determine the spectral parameters: line intensity, width, and Doppler shift with respect to the coronal background. Two-dimensional comet images of these parameters are reconstructed at the different heights. A novel aspect of the observations of this sungrazing comet data is that, whereas the emission from most of the tail is blueshifted, that along one edge of the tail is redshifted. We attribute these shifts to a combination of solar wind speed and interaction with the magnetic field. In order to use the comet to probe the density, temperature, and speed of the corona and solar wind through which it passes, as well as to determine the outgassing rate of the comet, we develop a Monte Carlo simulation of the H I Lyα emission of a comet moving through a coronal plasma. From the outgassing rate, we estimate a nucleus diameter of about 9 m. This rate steadily increases as the comet approaches the Sun, while the optical brightness decreases by more than a factor of 10 and suddenly recovers. This indicates that the optical brightness is determined by the lifetimes of the grains, sodium atoms, and molecules produced by the comet.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1995

Vacuum Ultraviolet Absorption Measurements of Atomic Oxygen in a Shock Tube

The absorption of vacuum ultraviolet light by atomic oxygen has been measured in the Electric Arc-driven Shock Tube (EAST) Facility at NASA-Ames Research Center. This investigation demonstrates the instrumentation required to determine atomic oxygen concentrations from absorption measurements in impulse facilities. A shock wave dissociates molecular oxygen, producing a high temperature sample of atomic oxygen in the shock tube. A probe beam is generated with a Raman-shifted ArF excimer laser. By suitable tuning of the laser, absorption is measured over a range of wavelengths in the region of the atomic line at 130.49 nm. The line shape function is determined from measurements at atomic oxygen densities of 3x10(exp 17) and 9x10(exp 17) cm(exp -3). The broadening coefficient for resonance interactions is deduced from this data, and this value is in accord with available theoretical models.

Meyer, Scott Andrew↗