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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The enlargement of high reflectance range in ultra-narrow bandpass filter with disordered one-dimensional photonic crystal

The conventional ultra-narrow bandpass filter structure has only a very limited width of high-reflectance range. This study, by introducing disorder into one-dimensional (1D) photonic crystal, attempts to enlarge the width of high-reflectance range while keeping the ultra-narrow bandpass. Enlargement by 46.8% was obtained after theoretical design. Since this structure contains some degree of disorder already, it has a strong tolerance of the variation of layer thicknesses. Unlike studies using conventional periodic structures, theoretical statistical results in this study demonstrate that high quality remains even after allowing for ±5% variation of layer thicknesses. This indicates that only a very low thickness control precision is required in the future and the production difficulty is immensely lowered. To put the construction to test, a structure has been developed and demonstrated by a magnetron reactive sputtering coating system, which agrees with the theoretical result very well. By introducing disorder into the periodic 1D photonic crystal structure, the high-reflectance range is significantly extended by 37%, with an ultra-narrow pass band of 0.8 nm and intensity of 82%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Long-range superconducting proximity effect in polycrystalline Co nanowires

We report experimental evidence of a long-range superconducting proximity effect in polycrystalline Co nanowires in contact with a superconducting W-based floating electrode (inducer). For electrical resistance measurements, voltage leads were connected to the Co nanowire on both sides of the superconducting inducer at a distance of 7.2 μm. We observed a 28% reduction of the nanowire resistance when sweeping the temperature below the inducer's transition temperature T{sub c} = 5.2 K. Our analysis of the resistance data shows that the superconducting proximity length in polycrystalline Co is as large as 1 μm at 2.4 K, attesting to a long-range proximity effect. Moreover, this long-range proximity effect is insusceptible to magnetic fields up to 11 T, which is indicative of spin-triplet pairing. Our results provide evidence that magnetic inhomogeneity of the ferromagnet enlarges the spatial extend of the spin-triplet superconducting proximity effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Describing long-range charge-separation processes with subsystem density-functional theory

Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants in Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Wide-frequency range, dynamic matching network and power system for the “Shoelace” radio frequency antenna on the Alcator C-Mod tokamak

A wide-frequency range (50–300 kHz) power system has been implemented for use with a new RF antenna – the “Shoelace” antenna – built to drive coherent plasma fluctuations in the edge of the Alcator C-Mod tokamak. A custom, dynamically tunable matching network allows two commercial 1 kW, 50-Ω RF amplifiers to drive the low-impedance, inductive load presented by the antenna. This is accomplished by a discretely variable L-match network, with 81 independently selected steps available for each of the series and parallel legs of the matching configuration. A compact programmable logic device provides a control system that measures the frequency with better than 1 kHz accuracy and transitions to the correct tuning state in less than 1 ms. At least 85% of source power is dissipated in the antenna across the operational frequency range, with a minimum frequency slew rate of 1 MHz/s; the best performance is achieved in the narrower band from 80 to 150 kHz which is of interest in typical experiments. The RF frequency can be run with open-loop control, following a pre-programmed analog waveform, or phase-locked to track a plasma fluctuation diagnostic signal in real time with programmable phase delay; the amplitude control is always open-loop. The control waveforms and phase delay are programmed remotely. These tools have enabled first-of-a-kind measurements of the tokamak edge plasma system response in the frequency range and at the wave number at which coherent fluctuations regulate heat and particle transport through the plasma boundary.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10–130 Å on the large helical device

A flat-field space-resolved extreme ultraviolet (EUV) spectrometer system working in wavelength range of 10–130 Å has been constructed in the Large Helical Device (LHD) for profile measurements of bremsstrahlung continuum and line emissions of heavy impurities in the central column of plasmas, which are aimed at studies on Z{sub eff} and impurity transport, respectively. Until now, a large amount of spike noise caused by neutral particles with high energies (≤180 keV) originating in neutral beam injection has been observed in EUV spectroscopy on LHD. The new system has been developed with an aim to delete such a spike noise from the signal by installing a thin filter which can block the high-energy neutral particles entering the EUV spectrometer. Three filters of 11 μm thick beryllium (Be), 3.3 μm thick polypropylene (PP), and 0.5 μm thick polyethylene terephthalate (PET: polyester) have been examined to eliminate the spike noise. Although the 11 μm Be and 3.3 μm PP filters can fully delete the spike noise in wavelength range of λ ≤ 20 Å, the signal intensity is also reduced. The 0.5 μm PET filter, on the other hand, can maintain sufficient signal intensity for the measurement and the spike noise remained in the signal is acceptable. As a result, the bremsstrahlung profile is successfully measured without noise at 20 Å even in low-density discharges, e.g., 2.9 × 10{sup 13} cm{sup −3}, when the 0.5 μm PET filter is used. The iron n = 3–2 Lα transition array consisting of FeXVII to FeXXIV is also excellently observed with their radial profiles in wavelength range of 10–18 Å. Each transition in the Lα array can be accurately identified with its radial profile. As a typical example of the method a spectral line at 17.62 Å is identified as FeXVIII transition. Results on absolute intensity calibration of the spectrometer system, pulse height and noise count analyses of the spike noise between holographic and ruled gratings and wavelength response of the used filters are also presented with performance of the present spectrometer system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Dispersion properties and low infrared optical losses in epitaxial AlN on sapphire substrate in the visible and infrared range

Optical waveguiding properties of a thick wurtzite aluminum nitride highly [002]-textured hetero-epitaxial film on (001) basal plane of sapphire substrate are studied. The physical properties of the film are determined by X-ray diffraction, atomic force microscopy, microRaman, and photocurrent spectroscopy. The refractive index and the thermo-optic coefficients are determined by m-lines spectroscopy using the classical prism coupling technique. The optical losses of this planar waveguide are also measured in the spectral range of 450–1553 nm. The lower value of optical losses is equal to 0.7 dB/cm at 1553 nm. The optical losses due to the surface scattering are simulated showing that the contribution is the most significant at near infrared wavelength range, whereas the optical losses are due to volume scattering and material absorption in the visible range. The good physical properties and the low optical losses obtained from this planar waveguide are encouraging to achieve a wide bandgap optical guiding platform from these aluminum nitride thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

The macroscopic diffusion constant for a charged diffuser is in part dependent on (1) the volume excluded by solute “obstacles” and (2) long-range interactions between those obstacles and the diffuser. Increasing excluded volume reduces transport of the diffuser, while long-range interactions can either increase or decrease diffusivity, depending on the nature of the potential. We previously demonstrated [P. M. Kekenes-Huskey et al., Biophys. J. 105, 2130 (2013)] using homogenization theory that the configuration of molecular-scale obstacles can both hinder diffusion and induce diffusional anisotropy for small ions. As the density of molecular obstacles increases, van der Waals (vdW) and electrostatic interactions between obstacle and a diffuser become significant and can strongly influence the latter's diffusivity, which was neglected in our original model. Here, we extend this methodology to include a fixed (time-independent) potential of mean force, through homogenization of the Smoluchowski equation. We consider the diffusion of ions in crowded, hydrophilic environments at physiological ionic strengths and find that electrostatic and vdW interactions can enhance or depress effective diffusion rates for attractive or repulsive forces, respectively. Additionally, we show that the observed diffusion rate may be reduced independent of non-specific electrostatic and vdW interactions by treating obstacles that exhibit specific binding interactions as “buffers” that absorb free diffusers. Finally, we demonstrate that effective diffusion rates are sensitive to distribution of surface charge on a globular protein, Troponin C, suggesting that the use of molecular structures with atomistic-scale resolution can account for electrostatic influences on substrate transport. This approach offers new insight into the influence of molecular-scale, long-range interactions on transport of charged species, particularly for diffusion-influenced signaling events occurring in crowded cellular environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Long-range hybrid ridge and trench plasmonic waveguides

We report a class of long-range hybrid plasmon polariton waveguides capable of simultaneously achieving low propagation loss and tight field localization at telecommunication wavelength. The symmetric (quasi-symmetric) hybrid configurations featuring high-refractive-index-contrast near the non-uniform metallic nanostructures enable significantly improved optical performance over conventional hybrid waveguides, exhibiting considerably longer propagation distances and dramatically enhanced figure of merits for similar degrees of confinement. Compared to their traditional long-range plasmonic counterparts, the proposed hybrid waveguides put much less stringent requirements on index-matching conditions, demonstrating nice performance under a wide range of physical dimensions and robust characteristics against certain fabrication imperfections. Studies concerning crosstalk between adjacent identical waveguides further reveal their potential for photonic integrations. In addition, alternative configurations with comparable guiding properties to the structures in our case studies are also proposed, which can potentially serve as attractive prototypes for numerous high-performance nanophotonic components.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Wide dynamic range neutron flux monitor having fast time response for the Large Helical Device

A fast time response, wide dynamic range neutron flux monitor has been developed toward the LHD deuterium operation by using leading-edge signal processing technologies providing maximum counting rate up to ∼5 × 10{sup 9} counts/s. Because a maximum total neutron emission rate over 1 × 10{sup 16} n/s is predicted in neutral beam-heated LHD plasmas, fast response and wide dynamic range capabilities of the system are essential. Preliminary tests have demonstrated successful performance as a wide dynamic range monitor along the design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

An approach to improving transporting velocity in the long-range ultrasonic transportation of micro-particles

In existing ultrasonic transportation methods, the long-range transportation of micro-particles is always realized in step-by-step way. Due to the substantial decrease of the driving force in each step, the transportation is lower-speed and stair-stepping. To improve the transporting velocity, a non-stepping ultrasonic transportation approach is proposed. By quantitatively analyzing the acoustic potential well, an optimal region is defined as the position, where the largest driving force is provided under the condition that the driving force is simultaneously the major component of an acoustic radiation force. To keep the micro-particle trapped in the optimal region during the whole transportation process, an approach of optimizing the phase-shifting velocity and phase-shifting step is adopted. Due to the stable and large driving force, the displacement of the micro-particle is an approximately linear function of time, instead of a stair-stepping function of time as in the existing step-by-step methods. An experimental setup is also developed to validate this approach. Long-range ultrasonic transportations of zirconium beads with high transporting velocity were realized. The experimental results demonstrated that this approach is an effective way to improve transporting velocity in the long-range ultrasonic transportation of micro-particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

An improved lattice Boltzmann scheme for multiphase fluid with multi-range interactions

Modeling of fluids with liquid to gas phase transition has become important for understanding many environmental or industrial processes. Such simulations need new techniques, because traditional solvers are often limited. The Lattice Boltzmann Model (LBM) allows simulate complex fluids, because its mesoscopic nature gives possibility to incorporate additional physics in comparison to usual methods. In this work, an improved lattice Boltzmann model for phase transition flow will be introduced. First, the state of art for Shan and Chen (SC) type of LBM will be reminded. Then, link to real thermodynamics will be established with Maxwell equal areas construction. Convergence to isothermal liquid vapor equilibrium will be shown and discussed. Inclusion of an equation of state for real fluid and better incorporation of force term is presented. Multi-range interactions have been used for SC model, but it hasn't been yet applied to real fluid with non-ideal equation of state. In this work, we evaluate this model when it is applied to real liquid-vapor equilibrium. We show that important differences are found for evaluation of gas density. In order to recover thermodynamic consistency, we use a new scheme for calculation of force term, which is a combination of multi range model and numerical weighting used by Gong and Cheng. We show the superiority of our new model by studying convergence to equilibrium values over a large temperature range. We prove that spurious velocities remaining at equilibrium are decreased.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Blade tip clearance measurement of the turbine engines based on a multi-mode fiber coupled laser ranging system

The blade tip clearance is a parameter of great importance to guarantee the efficiency and safety of the turbine engines. In this article, a laser ranging system designed for blade tip clearance measurement is presented. Multi-mode fiber is utilized for optical transmission to guarantee that enough optical power is received by the sensor probe. The model of the tiny sensor probe is presented. The error brought by the optical path difference of different modes of the fiber is estimated and the length of the fiber is limited to reduce this error. The measurement range in which the optical power received by the probe remains essentially unchanged is analyzed. Calibration experiments and dynamic experiments are conducted. The results of the calibration experiments indicate that the resolution of the system is about 0.02 mm and the range of the system is about 9 mm.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Hydrogen-mediated long-range magnetic ordering in Pd-rich alloy film

The effect of hydrogenation on a 14 nm Co{sub 14}Pd{sub 86}/Al{sub 2}O{sub 3}(0001) thin film was investigated on the basis of the magnetooptical Kerr effect. After exposure to H{sub 2} gas, the squareness of the hysteresis loop showed a large transition from approximately 10% to 100% and the saturation Kerr signal was reduced to nearly 30% of the pristine value. The reversibility of the transition was verified and the response time was within 2–3 s. These observations indicate that the hydride formation transformed the short-range coupled and disordered magnetic state of the Co{sub 14}Pd{sub 86} film to a long-range-ordered ferromagnetic state and induced appreciable decrease in the magnetic moment. The enhanced long-range-ordering and the reduction of the magnetic moment were attributed to the change of electronic structure in Co{sub 14}Pd{sub 86} with hydrogen uptake.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Calculation of the molecular integrals with the range-separated correlation factor

Explicitly correlated quantum chemical calculations require calculations of five types of two-electron integrals beyond the standard electron repulsion integrals. We present a novel scheme, which utilises general ideas of the McMurchie-Davidson technique, to compute these integrals when the so-called “range-separated” correlation factor is used. This correlation factor combines the well-known short range behaviour resulting from the electronic cusp condition, with the exact long-range asymptotics derived for the helium atom [Lesiuk, Jeziorski, and Moszynski, J. Chem. Phys. 139, 134102 (2013)]. Almost all steps of the presented procedure are formulated recursively, so that an efficient implementation and control of the precision are possible. Additionally, the present formulation is very flexible and general, and it allows for use of an arbitrary correlation factor in the electronic structure calculations with minor or no changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Compact silicon photonic wavelength-tunable laser diode with ultra-wide wavelength tuning range

We present a wavelength-tunable laser diode with a 99-nm-wide wavelength tuning range. It has a compact wavelength-tunable filter with high wavelength selectivity fabricated using silicon photonics technology. The silicon photonic wavelength-tunable filter with wide wavelength tuning range was realized using two ring resonators and an asymmetric Mach-Zehnder interferometer. The wavelength-tunable laser diode fabricated by butt-joining a silicon photonic filter and semiconductor optical amplifier shows stable single-mode operation over a wide wavelength range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Tuned range separated hybrid functionals for solvated low bandgap oligomers

The description of charge transfer excitations has long been a challenge to time dependent density functional theory. The recently developed concept of “optimally tuned range separated hybrid (OT-RSH) functionals” has proven to describe charge transfer excitations accurately in many cases. However, describing solvated or embedded systems is yet a challenge. This challenge is not only computational but also conceptual, because the tuning requires identifying a specific orbital, typically the highest occupied one of the molecule under study. For solvated molecules, this orbital may be delocalized over the solvent. We here demonstrate that one way of overcoming this problem is to use a locally projected self-consistent field diagonalization on an absolutely localized molecular orbital expansion. We employ this approach to determine ionization energies and the optical gap of solvated oligothiophenes, i.e., paradigm low gap systems that are of relevance in organic electronics. Dioxane solvent molecules are explicitly represented in our calculations, and the ambiguities of straightforward parameter tuning in solution are elucidated. We show that a consistent estimate of the optimal range separated parameter (ω) at the limit of bulk solvation can be obtained by gradually extending the solvated system. In particular, ω is influenced by the solvent beyond the first coordination sphere. For determining ionization energies, a considerable number of solvent molecules on the first solvation shell must be taken into account. We demonstrate that accurately calculating optical gaps of solvated systems using OT-RSH can be done in three steps: (i) including the chemical environment when determining the range-separation parameter, (ii) taking into account the screening due to the solvent, and (iii) using realistic molecular geometries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Intermediate-range chemical ordering of cations in molten RbCl-AgCl

A first sharp diffraction peak (FSDP) is observed in the X-ray total structure factor of a molten mixture of RbCl-AgCl, while both pure melts of RbCl and AgCl do not exhibit FSDP individually. Molecular dynamics simulations were performed to investigate the origin of the FSDP with the polarizable ion model (PIM). Coexistence of covalent Ag–Cl and ionic Rb–Cl bonds leads the system to evolve intermediate range ordering, which is simulated by introducing the induced polarization in different ways between Ag–Cl with fully polarizable treatment based on Vashishta-Raman potential and Rb–Cl with suppression over-polarization in the nearest neighbor contribution based on Born-Meyer potential. The partial structure factors for both the Ag–Ag and Rb–Rb correlations, S{sub AgAg}(Q) and S{sub RbRb}(Q), show a positive contribution to the FSDP, while S{sub AgRb}(Q) for the Ag–Rb correlation exhibits a negative contribution, indicating that Ag and Rb ions are distributed in an alternating manner within the intermediate-range length scale. The origin of the intermediate-range chemical ordering of cations can be ascribed to the preferred direction of the dipole moments of anions in the PIM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

A simple spectroscopic method to determine the degree of dissociation in hydrogen plasmas with wide-range spectrometer

A new and simple method for determining the degree of dissociation in hydrogen plasmas is presented. In this method, wide-range spectrum covering from an atomic H-γ line (434.05 nm) to molecular Fulcher-α band (600-640 nm) is measured simultaneously by a wide-range miniature spectrometer. Since the wide-range spectrum measured by the miniature spectrometer is too broadened to resolve respective lines in the Fulcher-α band, a synthetic spectrum method is applied to improve the accuracy in the Q-branch of Fulcher-α band intensity measurement. In order to reduce the influence from other transitions or anomalous P- and R-branch of Fulcher-α spectrum, the Fulcher-α spectra of which vibrational states are higher than 1 (υ ≥ 1) are synthesized using the rotational temperature obtained by the 0-0 Fulcher-α spectrum. The degree of dissociation is determined from the intensity ratio between H-γ line and the synthesized Fulcher-α band spectrum. A comparative study carried out in a volume-produced negative hydrogen ion source shows that the degree of dissociation determined by this method agrees well with the measured values using a spectrometer with high spectral resolution. The present method is expected to be useful to characterize the plasma sources with molecular species since it provides important parameters for understanding neutral particle behaviors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗