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DOE OSTI2023

Binning is Sinning: Redemption for Hubble Diagram Using Photometrically Classified Type Ia Supernovae

Bayesian Estimation Applied to Multiple Species (BEAMS) is implemented in the BEAMS with Bias Corrections (BBC) framework to produce a redshift-binned Hubble diagram (HD) for Type Ia supernovae (SNe Ia). BBC corrects for selection effects and non–SN Ia contamination, and systematic uncertainties are described by a covariance matrix with dimension matching the number of BBC redshift bins. For spectroscopically confirmed SN Ia samples, a recent "Binning is Sinning" article showed that an unbinned HD and covariance matrix reduces the systematic uncertainty by a factor of ~1.5 compared to the binned approach. Here we extend their analysis to obtain an unbinned HD for a photometrically identified sample processed with BBC. To test this new method, we simulate and analyze 50 samples corresponding to the Dark Energy Survey (DES) with a low-redshift anchor; the simulation includes SNe Ia, and contaminants from core-collapse SNe and peculiar SNe Ia. The analysis includes systematic uncertainties for calibration and measures the dark energy equation of state parameter (w). Compared to a redshift-binned HD, the unbinned HD with nearly 2000 events results in a smaller systematic uncertainty, in qualitative agreement with BHS21, and averaging results among the 50 samples we find no evidence for a w-bias. To reduce computation time for fitting an unbinned HD with large samples, we propose an HD-rebinning method that defines the HD in bins of redshift, color, and stretch; the rebinned HD results in similar uncertainty as the unbinned case, and shows no evidence for a w-bias.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Low-Loss, High-Flux Saturation Magnetic Cores for Power Converters

As new and alternative energy sources are added to the energy grid, efficient and low-loss power converters are essential to the storage of energy from these intermittent power sources. Higher operating frequency can reduce the size and weight of transformers. However, current magnetic cores limit the operating frequency because core losses increase with frequency. Therefore, new magnetic core materials are needed with higher resistivity (lower eddy-current losses), lower coercivity (lower hysteresis losses), and higher permeability and flux density (higher power density). These new materials must be integrated into isolated power converters designed to optimize efficiency based on the transformer performance. To address this need, Mainstream pursued a two-pronged approach in Phase I to develop novel magnetic materials and model a planar transformer design. We irradiated silicon steel with a high-energy electron beam in an attempt to induce nanocrystalline grain formation. The nanocrystalline grains were expected to increase resistivity to reduce eddy-current losses and decrease coercivity to reduce hysteresis losses. We also modeled the transformer performance through Simulation Program with Integrated Circuit Emphasis (SPICE) and analytical models to establish the effect of magnetic properties of the core on the performance of the transformer. There still are hurdles to be overcome in Phase II. The electron beam processing was successful in increasing the resistivity and the flux saturation density. However, the resistivity is still too low for high-frequency magnetic cores, because the eddy-current losses would be prohibitively high. Additionally, the coercivity increased for the processed samples leading to higher hysteresis losses. In comparing our SPICE and analytical models to the planar transformer measured values and impedance plots, good agreement was seen for primary and secondary short-circuit impedance measurements and for primary-to-secondary capacitance measurements. The SPICE model deviated from measured values, though, when measuring the transformer open-circuit impedance, indicating that we might need to add more model complexity to the transformer model. Phase II research will continue to build on the transformer model and integrating novel magnetic materials into high-frequency transformers.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

WIYN Open Cluster Study. LXXXII. Radial-velocity Measurements and Spectroscopic Binary Orbits in the Open Cluster NGC 7789

We present an extensive time-series radial-velocity (RV) survey of stars in the rich open cluster NGC 7789 (1.6 Gyr, [Fe/H] = +0.02). The stellar sample lies within an 18′ circular radius from the cluster center (10 pc in projection, or about 2 core radii), and includes giants, red clump stars, blue stragglers, red stragglers, sub-subgiants, and main-sequence stars down to 1 mag below the turnoff. Our survey began in 2005 and comprises more than 9000 RV measurements from the Hydra Multi-Object Spectrograph on the WIYN 3.5 m telescope. We identify 624 likely cluster members and present the orbital solutions for 81 cluster binary stars with periods between 1.45 and 4200 days. From the main-sequence binary solutions we fit a circularization period of 7.2{sub −1.1}{sup +0.6} days. We calculate an incompleteness-corrected main-sequence binary frequency of 31% ± 4% for binaries with periods less than 10{sup 4} days, similar to other WIYN Open Cluster Survey (WOCS) open clusters of all ages. We detect a blue straggler binary frequency of 33% ± 17%, consistent with the similarly aged open cluster NGC 6819. We also find one secure, rapidly rotating sub-subgiant and one red straggler candidate in our sample.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2002

Optimal Extraction with Sub-sampled Line-Spread Functions

STIS long-slit medium resolution spectra reduced in CALSTIS extended-source mode with narrow extraction heights (GWIDTH=3 pixels) show photometric uncertainties of +/- 3% relative to point-source extractions. These uncertainties are introduced through interpolation in the spectral image rectification processing stage, and are correlated with the number of pixel crossings the spectral profile core encounters in the spatial direction. The line-spread-function may be determined as a function of pixel crossing- position from calibration data sub-sampled in the spatial direction. This line spread function will be applied to science data to perform optimal extractions and point- source de-blending. Wavelength and breathing effects will be studied. Viability of the method to de-convolve extended source 'blobs' will be investigated.

Collins, Nicholas R.↗

DOE OSTI2022

Gamma Irradiation of NaCl-UCl 3 Salt for the Molten Chloride Fast Reactor

This report documents the results of the gamma ray irradiation of NaCl-UCl 3 eutectic salt in the Advanced Test Reactor (ATR) spent fuel pool gamma tube and subsequent analysis of capsules utilizing the Gas Assay Sample and Recharge (GASR) system. NaCl-UCl 3 salt capsules at four different temperatures, 75C, 150C, 300C and 600C, were irradiated shortly after the core internal changeout (CIC) of the ATR, beginning April 28 th of 2021, and ending on August 18 th of 2021. Re-positioning of the fuel elements in the spent fuel pool to move more fresh fuel elements around the gamma tube occurred on May 11 th of 2021, resulting in an approximate 20% increase in the dose rate and consequently the total absorbed dose. In total, the salt-filled capsules underwent 2638 hours of gamma irradiation from the adjacent freshly discharged ATR spent fuel. Capsule internal pressure measurements were taken via the Gas Assay Sample and Recharge (GASR) system in the INL Hot Fuels Examination Facility (HFEF) following completion of the irradiation. Based on the GASR analysis results, the primary conclusion from this experiment to-date is that radiolytic generation of chlorine gas is insignificant for the dose rates and total absorbed dose that these samples experienced. To elucidate more detailed effects of radiolysis on NaCl-UCl 3 eutectic salts and reach a more definitive conclusion, further advanced analyses such as electron microscopy, simultaneous thermal analysis, and electron paramagnetic resonance are recommended to analyze the capsule wall and salt samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2008

Ultraviolet Spectroscopy of Supernovae: The First Two Years of Swift Observations

We present the entire sample of ultraviolet (1JV) spectra of supernovae (SNe) obtained with the Ultraviolet/Optical Telescope (UVOT) on board the Swift satellite during the first 2 years of observations (2005/2006). A total of 31 UV-grism and 22 V-grism spectra of 9 supernovae (SNe) have been collected. of which 6 are thermonuclear (type Ia) and 3 core collapse (type Ibc/II) SNe. All the spectra have been obtained during the photospheric phase. After a comparison of the spectra of our sample with those in the literature (SNe 1992A. 1990N and 1999em). we confirm some degree of diversity in the UV emission of Type Ia SNe and a greater homogeneity in the Type I1 Plateau SN sample. Signatures of interaction between the ejecta and the circumstellar environment have been found in the UV spectrum of SN 2006jc, the only SN Type Ib/c for which UVOT grism data are available. Currently, Swift LJVOT is the best suited instrument for early SN studies in the UV due to its fast response and flexible scheduling capabilities. However. in order to increase the quality of the data and significantly improve our understanding of the lJV properties of SNe and to fully maximize the scientific potential of UVOT grism observations. a larger investment in obsen~ing time and longer exposures are needed.

Immler, Stefan↗

DOE OSTI2015

STELLAR RADIAL VELOCITIES IN THE OLD OPEN CLUSTER M67 (NGC 2682). I. MEMBERSHIPS, BINARIES, AND KINEMATICS

We present results from 13776 radial-velocity (RV) measurements of 1278 candidate members of the old (4 Gyr) open cluster M67 (NGC 2682). The measurements are the results of a long-term survey that includes data from seven telescopes with observations for some stars spanning over 40 years. For narrow-lined stars, RVs are measured with precisions ranging from about 0.1 to 0.8 km s{sup −1}. The combined stellar sample reaches from the brightest giants in the cluster down to about 4 mag below the main-sequence turnoff (V=16.5), covering a mass range of about 1.34 M{sub ⊙} to 0.76 M{sub ⊙}. Spatially, the sample extends to a radus of 30 arcmin (7.4 pc in projection at a distance of 850 pc or 6–7 core radii). We find M67 to have a mean RV of +33.64 km s{sup −1} (with an internal precision of ±0.03 km s{sup −1}) well separated from the mean velocity of the field. For stars with ⩾3 measurements, we derive RV membership probabilities and identify RV variables, finding 562 cluster members, 142 of which show significant RV variability. We use these cluster members to construct a color–magnitude diagram and identify a rich sample of stars that lie far from the standard single star isochrone, including the well-known blue stragglers, sub-subgiants and yellow giants. These exotic stars have a binary frequency of (at least) 80%, more than three times that detected for stars in the remainder of the sample. We confirm that the cluster is mass segregated, finding the binaries to be more centrally concentrated than the single stars in our sample at the 99.8% confidence level (and at the 98.7% confidence level when only considering main-sequence stars). The blue stragglers are centrally concentrated as compared to the solar-type main-sequence single stars in the cluster at the 99.7% confidence level. Accounting for measurement precision, we derive an RV dispersion in M67 of 0.80 ± 0.04 km s{sup −1} for our sample of single main-sequence stars, subgiants and giants with V⩽15.5. When corrected for undetected binaries, this sample yields a true RV dispersion of 0.59{sub −0.06}{sup +0.07} km s{sup −1}. The radial distribution of the velocity dispersion is consistent with an isothermal distribution within our stellar sample. Using the cluster RV dispersion, we estimate a virial mass for the cluster of 2100{sub −550}{sup +610} M{sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2011

Substrate nitridation induced modulations in transport properties of wurtzite GaN/p-Si (100) heterojunctions grown by molecular beam epitaxy

Phase pure wurtzite GaN films were grown on Si (100) substrates by introducing a silicon nitride layer followed by low temperature GaN growth as buffer layers. GaN films grown directly on Si (100) were found to be phase mixtured, containing both cubic ({beta}) and hexagonal ({alpha}) modifications. The x-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL) spectroscopy studies reveal that the significant enhancement in the structural as well as in the optical properties of GaN films grown with silicon nitride buffer layer grown at 800 deg. C when compared to the samples grown in the absence of silicon nitride buffer layer and with silicon nitride buffer layer grown at 600 deg. C. Core-level photoelectron spectroscopy of Si{sub x}N{sub y} layers reveals the sources for superior qualities of GaN epilayers grown with the high temperature substrate nitridation process. The discussion has been carried out on the typical inverted rectification behavior exhibited by n-GaN/p-Si heterojunctions. Considerable modulation in the transport mechanism was observed with the nitridation conditions. The heterojunction fabricated with the sample of substrate nitridation at high temperature exhibited superior rectifying nature with reduced trap concentrations. Lowest ideality factors ({approx}1.5) were observed in the heterojunctions grown with high temperature substrate nitridation which is attributed to the recombination tunneling at the space charge region transport mechanism at lower voltages and at higher voltages space charge limited current conduction is the dominating transport mechanism. Whereas, thermally generated carrier tunneling and recombination tunneling are the dominating transport mechanisms in the heterojunctions grown without substrate nitridation and low temperature substrate nitridation, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2020

A low-luminosity core-collapse supernova very similar to SN 2005cs

ABSTRACT We present observations and analysis of PSN J17292918+7542390, a low-luminosity Type II-P supernova (LL SN IIP). The observed sample of such events is still low, and their nature is still under debate. Such SNe are similar to SN 2005cs, a well-observed LL Type II-P event, having low expansion velocities, and small ejected 56Ni mass. We have developed a robust and relatively fast Monte Carlo code that fits semi-analytic models to light curves of core-collapse SNe. This allows the estimation of the most important physical parameters, like the radius of the progenitor star, the mass of the ejected envelope, the mass of the radioactive nickel synthesized during the explosion, among others. PSN J17292918+7542390 has $R_0 = 91_{-70}^{+119} \times 10^{11} \, \text{cm}$, $M_\text{ej} = 9.89_{-1.00}^{+2.10} \, \mathrm{ M}_{\odot }$, $E_{\mbox{kin}} = 0.65_{-0.18}^{+0.19} \, \text{foe}$, and $v_{\mbox{exp}} = 3332_{-347}^{+216}$ km s−1, for its progenitor radius, ejecta mass, kinetic energy, and expansion velocity, respectively. The initial nickel mass of the PSN J17292918+7542390 turned out to be $1.55_{-0.70}^{+0.75} \times 10^{-3} \, \mathrm{M}_{\odot }$. The measured photospheric velocity at the earliest observed phase is 7000 km s−1. As far as we can tell based on the small population of observed LL SNe IIP, the determined values are typical for these events.

Jäger, Jr, Zoltán↗

DOE OSTI2018

Effects of the annealing process on the structure and valence state of vanadium oxide thin films

Highlights: • TGA-DSC was used to determine the annealing temperature generally. • Pure VO{sub 2} (M) film was obtained with some annealing process. • The film surface transits from layer to grains as the annealing temperature increases. • Spans of O1s and V2p{sub 3/2} core level of V{sup 5+}, V{sup 4+}, V{sup 3+} were 12.75, 14.0 and 14.7 eV. • The Tc of pure VO{sub 2} (M) was 64.3 °C, its hysteresis loop width was 12.1 °C. - Abstract: V{sub 2}O{sub 5} was used to prepare vanadium oxide films via the sol-gel method. The “n” in V{sub 2}O{sub 5}∙nH{sub 2}O was determined to be approximately 1.67. After annealing at 390 °C for 4 h, a pure VO{sub 2} (M) phase was obtained and denoted sample Ⅴ. The crystallite sizes of VO{sub 2} (M) in samples Ⅱ, Ⅲ, Ⅳ and Ⅴ were 42, 41, 35 and 24 nm, respectively. The surface morphology of sample Ⅰ was flat; however, many small, dense particles covered the surface of sample Ⅴ. Sample Ⅱ had a layered structure, and samples Ⅲ and Ⅳ consisted of compact grains. The binding energy (BE) differences between the O1s and the V{sup 5+}2p{sub 3/2}, V{sup 4+}2p{sub 3/2}, and V{sup 3+}2p{sub 3/2} core levels were 12.75, 14.0 and 14.7 eV, respectively. For the sample Ⅴ film, the maximum transmittance change at 2500 nm was 39%, the phase transition temperature (Tc) was 64.3 °C, and the hysteresis loop width was 12.1 °C.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Integrating Experiments and Well Logs to Predict Caney Shale Static Mechanical Properties During Production with Supervised Machine Learning

Caney shale is one of the emerging oil reservoirs in Oklahoma. Understanding the impact of effective stress on its mechanical properties is critical for predicting hydraulic fracture geometry and overall hydrocarbon production. The objective of our study is to evaluate the impact of effective stress on the dynamic Young’s modulus using ultrasonic velocity measurements for Caney shale samples. A triaxial cell was utilized to measure ultrasonic (P-wave and S-wave) velocities for ten downhole Caney shale samples under various effective stresses to indirectly assess the impact of pore pressure change. The dynamic Young’s moduli estimated from these measurements were integrated with available conventional well logs (excluding sonic logs) and triaxial test results from Benge et al. (2021) to predict the static Young’s modulus using Random Forest (RF) and Extreme Gradient Boosting (XGBoost) models. The results showed that the estimated dynamic Young’s moduli from ultrasonic measurements were higher than the corresponding static Young’s modulus of cores from the same vertical well at similar depths. With increasing effective stress, the dynamic Young’s modulus increased for all samples. The estimated dynamic-to-static correction factor tended to be higher in zones of high neutron porosity (PHIN) and low density compared to other zones. Finally, SHapley Additive exPlanations (SHAP) for RF and XGBoost models identified depth, gamma ray (GR), and PHIN as key features for predicting the static Young’s modulus. This study enhances our understanding of the dynamic and static Young’s moduli for the Caney shale interval, as a function of effective stress and conventional well logs. The findings from this study can improve predictions of production throughout the well's lifespan by offering insights into the mechanical property degradation resulting from pore pressure depletion.

Kholy, Sherif M.↗

DOE OSTI2014

Case depth verification of hardened samples with Barkhausen noise sweeps

An interesting topic of recent Barkhausen noise (BN) method studies is the application of the method to case depth evaluation of hardened components. The utilization of BN method for this purpose is based on the difference in the magnetic properties between the hardened case and the soft core. Thus, the detection of case depth with BN can be achieved. The measurements typically have been carried out by using low magnetizing frequencies which have deeper penetration to the ferromagnetic samples than the conventional BN measurement. However, the penetration depth is limited due to eddy current damping of the signal. We introduce here a newly found sweep measurement concept for the case depth evaluation. In this study sweep measurements were carried out with various magnetizing frequencies and magnetizing voltages to detect the effect of different frequency and voltage and their correspondence to the actual case depth values verified from destructive characterization. Also a BN measurement device that has an implemented sweep analysis option was utilised. The samples were either induction or case-hardened samples and sample geometry contained both rod samples and gear axle samples with different case depth values. Samples were also further characterized with Xray diffraction to study the residual stress state of the surface. The detailed data processing revealed that also other calculated features than the maximum slope division of the 1st derivative of the BN signal could hold the information about the case depth value of the samples. The sweep method was able to arrange the axles into correct order according to the case depth value even though the axles were used.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Visualization of expanding warm dense gold and diamond heated rapidly by laser-generated ion beams

With the development of several novel heating sources, scientists can now heat a small sample isochorically above 10,000 K. Although matter at such an extreme state, known as warm dense matter, is commonly found in astrophysics (e.g., in planetary cores) as well as in high energy density physics experiments, its properties are not well understood and are difficult to predict theoretically. This is because the approximations made to describe condensed matter or high-temperature plasmas are invalid in this intermediate regime. A sufficiently large warm dense matter sample that is uniformly heated would be ideal for these studies, but has been unavailable to date. We have used a beam of quasi-monoenergetic aluminum ions to heat gold and diamond foils uniformly and isochorically. For the first time, we visualized directly the expanding warm dense gold and diamond with an optical streak camera. Furthermore, we present a new technique to determine the initial temperature of these heated samples from the measured expansion speeds of gold and diamond into vacuum. We anticipate the uniformly heated solid density target will allow for direct quantitative measurements of equation-of-state, conductivity, opacity, and stopping power of warm dense matter, benefiting plasma physics, astrophysics, and nuclear physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Construction of CQDs-Bi{sub 20}TiO{sub 32}/PAN electrospun fiber membranes and their photocatalytic activity for isoproturon degradation under visible light

Highlights: • The flexible fiber membranes were prepared by coaxial electrospinning technique. • CQDs-Bi{sub 20}TiO{sub 32} photocatalyst was uniformly fixed on the surfaces of PAN fibers. • The fiber membranes had high photocatalytic activity for degradation of isoproturon. • The composite fiber membranes exhibited good recyclability. - Abstract: The CQDs-Bi{sub 20}TiO{sub 32} photocatalysts exhibited high visible-light responsive photocatalytic activity. To achieve the cyclic utilization of CQDs-Bi{sub 20}TiO{sub 32}, the novel flexible CQDs-Bi{sub 20}TiO{sub 32}/PAN fiber membranes were prepared by a simple coaxial electrospinning technique. It was found that the CQDs-Bi{sub 20}TiO{sub 32} photocatalyst could be firmly and uniformly fixed on the surfaces of electrospun fibers and the composite fiber membranes possessed the hierarchical macro- and mesoporous structure. The loaded CQDs-Bi{sub 20}TiO{sub 32} endowed the composite fiber with an obvious photocatalytic activity for the degradation of the herbicide isoproturon under visible light irradiation. Among these samples, S3 at photocatalyst dosage 15 w/v% had the highest degradation efficiency for isoproturon. Meanwhile, the core-shell structured inorganic-organic hybrid fiber membranes have a significant advantage in the recyclability for photocatalyts. The flexible CQDs-Bi{sub 20}TiO{sub 32}/PAN electrospun fiber membranes would have potential applications in efficient removal of organic contaminants.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Material Interactions in Severe Accidents – Benchmarking the MELCOR V2.2 Eutectics Model for a BWR-3 Mark-I Station Blackout: Part II – Uncertainty Analysis

Single case comparisons between severe accident simulations can provide detailed insights into severe accident model behavior, however, they cannot offer insights into model uncertainty, sensitivity to uncertain parameters, or underlying model biases.Here in this analysis, the single case benchmark comparison of the MELCOR material interaction models for a station blackout (SBO) scenario of a boiling water reactor (BWR) using representative Fukushima Daiichi Unit 1 boundary conditions is expanded to include an uncertainty analysis. As part of this uncertainty analysis, 1200 simulations are performed for each material interaction model (2400 total), with random sampling of 14 uncertain MELCOR input parameters. Input parameters are selected for their impact on models representing core degradation processes. These include candling, fuel rod failure, debris quenching and dryout. The analysis performed here is not a traditional “best-estimate” uncertainty analysis that uses best-estimate parameters or identifies best-estimate figure of merit distributions. Instead, it is an exploratory uncertainty analysis that identifies and interrogates underlying model form biases of the two material interaction models (eutectics and interactive materials models). Uniform distributions are applied to all uncertain parameters to ensure coverage of the model parameter uncertainty space. Key findings from this study include underlying model form biases exhibited by material interaction models, and notable differences in accident progression outcomes between the material interaction models. This uncertainty study extends and confirms the conclusions from the first part of this study, which compared the impact of material interaction modeling on simulation of a short-term station blackout scenario with representative Fukushima Daiichi Unit I boundary conditions. In particular, this study confirms that the eutectics model generally exhibits accelerated degradation and failure of fuel components, the core plate, and the lower head. The eutectics model also has a tendency to exhibit a greater degree of core degradation, greater debris mass formation, and larger debris mass ejection. Finally, the eutectics model exhibits higher maximum temperatures for fuel, cladding, particulate debris, oxidic molten pool, and metallic molten pool components than the interactive materials model; interactive materials model simulations exhibit a soft “limitation” on maximum temperatures that is related to the temperature at which material relocation occurs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Hyperspectral Detection of the Fluorescence Shift between Chirality-Sorted Empty and Water-Filled Single-Wall Carbon Nanotube Enantiomers

Single-wall carbon nanotubes (SWCNTs) have extraordinary electronic and optical properties that depend strongly on their exact chiral structure and their interaction with their inner and outer environment. The fluorescence (PL) of semiconducting SWCNTs, for instance, will shift depending on the molecules with which the SWCNT’s hollow core is filled. These interaction-induced shifts are challenging to resolve on the ensemble level in samples containing a mixture of different filling contents due to the relatively large inhomogeneous line width of the ensemble SWCNT PL compared to the size of these shifts. To circumvent this inhomogeneous broadening, single-tube spectroscopy and hyperspectral imaging are often applied, which until now required time-consuming statistical studies. Here, we present hyperspectral PL microscopy combined with automated SWCNT segmenting based on either principal component analysis or a convolutional neural network, capable of both spatially and spectrally resolving the PL along the length of many individual SWCNTs at the same time and automatically fitting peak positions and line widths of individual SWCNTs. The methodology is demonstrated by accurately determining the emission shifts and line widths of thousands of left- and right-handed empty and water-filled SWCNTs coated with a chiral surfactant, resulting in four statistical distributions which cannot be resolved in ensemble spectroscopy of unsorted samples. The results demonstrate a robust method to quickly probe ensemble properties with single-enantiomer spectral resolution. Moreover, it promises to be an absolute quantitative method to characterize the relative abundances of SWCNTs with different handedness or filling content in macroscopic samples, simply by counting individual species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Nanotag-enabled photonic crystal fiber as quantitative surface-enhanced Raman scattering optofluidic platform

Core-shell nanotags that are active in surface-enhanced Raman scattering (SERS) and entrapped with thiocyanate (SCN) label molecules were immobilized in the air channels of suspended-core photonic crystal fiber (PCF) to impart quantitative capacity to SERS-based PCF optofluidic sensing platform. The Raman intensity of Rhodamine 6G increases with concentration, whereas the intensity of SCN remains constant when measured using this platform. The signal from the SCN label can be used as an internal reference to establish calibration for quantitative measurements of analytes of unknown concentrations. The long optical path-length PCF optofluidic platform integrated with SERS-active core-shell nanotags holds significant promise for sensitive quantitative chem/bio measurements with the added benefit of small sampling volume. The dependence of SERS intensity on the nanotag coverage density and PCF length was interpreted based on numerical-analytical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Electron band bending of polar, semipolar and non-polar GaN surfaces

The magnitudes of the surface band bending have been determined by X-ray photoelectron spectroscopy for polar, semipolar, and non-polar surfaces of wurtzite GaN crystals. All surfaces have been prepared from crystalline GaN samples grown by the hydride-vapour phase epitaxy and separated from sapphire substrates. The Ga 3d core level peak shifts have been used for band bending determination. Small band bending magnitudes and also relatively small difference between the band bendings of the surfaces with opposite polarity have been found. These results point to the presence of electron surface states of different amounts and types on surfaces of different polarity and confirm the important role of the electron surface states in compensation of the bound surface polarity charges in wurtzite GaN crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗