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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Collective neutrino oscillations in supernovae

In a dense neutrino medium neutrinos can experience collective flavor transformation through the neutrino-neutrino forward scattering. In this talk we present some basic features of collective neutrino flavor transformation in the context in core-collapse supernovae. We also give some qualitative arguments for why and when this interesting phenomenon may occur and how it may affect supernova nucleosynthesis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Electrodeposited cobalt sulfide hole collecting layer for polymer solar cells

In polymer solar cells based on the blend of regioregular poly(3-hexylthiophene) (P3HT) and phenyl-C61-butyric acid methyl ester, the hole collecting layer has to be endowed with its ionization potential close to or greater than that of P3HT (∼5 eV). Conductive polymer blends such as poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) and metal oxides such as vanadium pentoxide (V{sub 2}O{sub 5}) and molybdenum trioxide (MoO{sub 3}) satisfy this requirement and have been the most common materials used so far in bulk heterojunction structures. We report here cobalt sulfide (CoS) to be a promising hole collecting material deposited by convenient and room temperature electrodeposition. By simply tuning the CoS electrodeposition parameters, power conversion efficiencies similar (within 15%) to a reference structure with PEDOT:PSS were obtained.

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

Laser-written parabolic micro-antennas for efficient photon collection

Efficient collection of photons from solid-state single-photon emitters, like quantum dots, molecules, or defect centers in diamond, is a very demanding task. Here, we introduce parabolic micro-antennas fabricated by two-photon direct laser-writing to enhance the collection efficiency by directing emitted light into a small solid angle. The antennas can be fabricated on-site at the position of a pre-selected single-photon emitter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Reducing collective quantum state rotation errors with reversible dephasing

We demonstrate that reversible dephasing via inhomogeneous broadening can greatly reduce collective quantum state rotation errors, and observe the suppression of rotation errors by more than 21 dB in the context of collective population measurements of the spin states of an ensemble of 2.1×10{sup 5} laser cooled and trapped {sup 87}Rb atoms. The large reduction in rotation noise enables direct resolution of spin state populations 13(1) dB below the fundamental quantum projection noise limit. Further, the spin state measurement projects the system into an entangled state with 9.5(5) dB of directly observed spectroscopic enhancement (squeezing) relative to the standard quantum limit, whereas no enhancement would have been obtained without the suppression of rotation errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Theoretical investigation of polarization effects in solution: Importance of solvent collective motions

Recent theoretical studies on interesting topics related to polarization effects in solutions are presented. As one of interesting topics, ionic liquids (ILs) solvents are focused on. The collective dynamics of electronic polarizability through interionic dynamics and the effect of polarization in ILs, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF{sub 6}]), are studied with molecular dynamics simulation. Also, the time-dependent polarization effect on the probe betaine dye molecule, pyridinium N-phenoxide, in water is investigated by a time-dependent reference interaction site model self-consistent field (time-dependent RISM-SCF) approach. The importance of considering polarization effects on solution systems related to solvent collective motions is shown.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

The effects of an uncapped nanocrystal on a simulated induced current collected by a nano-contact

The effects of the charge capture process by an isolated and uncapped nanocrystal on the electron beam induced current are studied by the use of the Monte Carlo simulation. In the calculation, the current is created by an electron beam irradiation and is collected by a hemispherical nano-contact. The nanocrystal is considered as a recombination center, and the surface recombination velocity at the free surface is assumed to be equal to zero. The diffusion length is taken out from the fitting of simulated collection efficiency profiles, and studied as a function of the electron beam energy. The diffusion length rapidly decreases at very low energy (≤∼5 keV), increases to reach a maximum at middle energies (∼13 keV), and then decreases to reach saturation for high energy (≥∼25 keV). The effect of the isolated nanocrystal at the surface is highlighted at high energy, when the diffusion length becomes energy independent. This situation leads to determination of effective surface recombination velocities the values of which underline the trapping process in the nanocrystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Trace element analysis of soil type collected from the Manjung and central Perak

Trace elements in soils primarily originated from their parent materials. Parents’ material is the underlying geological material that has been undergone different types of chemical weathering and leaching processes. Soil trace elements concentrations may be increases as a result of continuous input from various human activities, including power generation, agriculture, mining and manufacturing. This paper describes the Neutron Activation Analysis (NAA) method used for the determination of trace elements concentrations in part per million (ppm) present in the terrestrial environment soil in Perak. The data may indicate any contamination of trace elements contributed from human activities in the area. The enrichment factors were used to check if there any contamination due to the human activities (power plants, agricultural, mining, etc.) otherwise the values would serve as a baseline data for future study. The samples were collected from 27 locations of different soil series in the area at two different depths: the top soil (0-15cm) and the sub soil (15-30cm). The collected soil samples were air dried at 60°C and passed through 2 µm sieve. Instrumental Neutron Activation Analysis (NAA) has been used for the determination of trace elements. Samples were activated in the Nuclear Malaysia TRIGA Mark II reactor followed by gamma spectrometric analysis. By activating the stable elements in the samples, the elements can be determined from the intensities of gamma energies emitted by the respected radionuclides.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

YBa{sub 2}Cu{sub 3}O{sub 7} microwave resonators for strong collective coupling with spin ensembles

Coplanar microwave resonators made of 330 nm-thick superconducting YBa{sub 2}Cu{sub 3}O{sub 7} have been realized and characterized in a wide temperature (T, 2–100 K) and magnetic field (B, 0–7 T) range. The quality factor (Q{sub L}) exceeds 10{sup 4} below 55 K and it slightly decreases for increasing fields, remaining 90% of Q{sub L}(B=0) for B = 7 T and T = 2 K. These features allow the coherent coupling of resonant photons with a spin ensemble at finite temperature and magnetic field. To demonstrate this, collective strong coupling was achieved by using di(phenyl)-(2,4,6-trinitrophenyl)iminoazanium organic radical placed at the magnetic antinode of the fundamental mode: the in-plane magnetic field is used to tune the spin frequency gap splitting across the single-mode cavity resonance at 7.75 GHz, where clear anticrossings are observed with a splitting as large as ∼82 MHz at T = 2 K. The spin-cavity collective coupling rate is shown to scale as the square root of the number of active spins in the ensemble.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Tunable configurational anisotropy in collective magnetization dynamics of Ni{sub 80}Fe{sub 20} nanodot arrays with varying dot shapes

We present broadband ferromagnetic resonance measurements of tunable spin wave anisotropy in arrays of nanodots with different dot shapes. Magnetization dynamics of the circular dot array shows two modes, while square, diamond, and triangular dot arrays show three, three, and four modes, respectively. Various distinct rotational symmetries in the configurational anisotropy of the nanodot arrays are observed with the variation of dot shape. The observed spin wave modes are reproduced by micromagnetic simulations and the calculated mode profiles show different collective modes determined by internal and stray magnetic fields. Effects of dot shapes are observed in combination with the effects of lattice symmetry and the shape of the boundary of the array. The collective behaviour is observed to be weakest in the diamond shaped dots and strongest in circular shaped dots. This is further confirmed by the stray field calculation. The large variation of spin wave mode frequencies and their configurational anisotropies with dot shapes are important for selection of suitable basis structures for future magnonic crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Monte-Carlo simulation of nano-collected current from a silicon sample containing a linear arrangement of uncapped nanocrystals

A Monte-Carlo simulation algorithm is used to study electron beam induced current in an intrinsic silicon sample, which contains at its surface a linear arrangement of uncapped nanocrystals positioned in the irradiation trajectory around the hemispherical collecting nano-contact. The induced current is generated by the use of electron beam energy of 5 keV in a perpendicular configuration. Each nanocrystal is considered as a recombination center, and the surface recombination velocity at the free surface is taken to be zero. It is shown that the induced current is affected by the distance separating each nanocrystal from the nano-contact. An increase of this separation distance translates to a decrease of the nanocrystals density and an increase of the minority carrier diffusion length. The results reveal a threshold separation distance from which nanocrystals have no more effect on the collection efficiency, and the diffusion length reaches the value obtained in the absence of nanocrystals. A cross-section characterizing the nano-contact ability to trap carriers was determined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SiN{sub x} layers on nanostructured Si solar cells: Effective for optical absorption and carrier collection

We compared nanopatterned Si solar cells with and without SiN{sub x} layers. The SiN{sub x} layer coating significantly improved the internal quantum efficiency of the nanopatterned cells at long wavelengths as well as short wavelengths, whereas the surface passivation helped carrier collection of flat cells mainly at short wavelengths. The surface nanostructured array enhanced the optical absorption and also concentrated incoming light near the surface in broad wavelength range. Resulting high density of the photo-excited carriers near the surface could lead to significant recombination loss and the SiN{sub x} layer played a crucial role in the improved carrier collection of the nanostructured solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Study on vertical distribution of radionuclides ({sup 40}K, Th and U) in soil collected from Manjung district

The accumulation of radionuclides in soil is a greatest concerns due to their toxicity. This study investigated the vertical distribution of radionuclides and radiological assessment in a soil profile were collected in three different directions [North (N), North-East (NE) and South-East (SE)] within 40 km from Manjung district. All profile samples were collected down to 45cm at 7.5cm interval using hand auger. Soil density and radionuclides ({sup 40}K, Th and U) concentrations were determined by gravimetric method and Energy Dispersive X-Ray Fluorescence (EDXRF) technique, respectively. The radionuclides concentrations was in decreasing order of {sup 40}K > Th > U. Soil quality assessment was carried out using Enrichment Factor (EF), Pollution Index (PI) and Geoaccumulation Index (I {sub geo}) where all radionuclides show significant enrichment (5 < EF < 20), PI classified as middle pollution classes and 0 < Igeo < 1, indicating moderately polluted, respectively. From the concentration of radionuclides, the radiological risk was calculated and the present result show external hazard index (H{sub ex}) is below than unity indicate low radiological risk.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298–220 K). We interpret this change in terms of the dynamic transition previously discussed using other probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.

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

NSLS-II biomedical beamlines for micro-crystallography, FMX, and for highly automated crystallography, AMX: New opportunities for advanced data collection

We present the final design of the x-ray optics and experimental stations of two macromolecular crystallography (MX) beamlines at the National Synchrotron Light Source-II. The microfocusing FMX beamline will deliver a flux of ∼5×10{sup 12} ph/s at 1 Å into a 1 – 20 µm spot, its flux density surpassing current MX beamlines by up to two orders of magnitude. It covers an energy range from 5 – 30 keV. The highly automated AMX beamline is optimized for high throughput, with beam sizes from 4 – 100 µm, an energy range of 5 – 18 keV and a flux at 1 Å of ∼10{sup 13} ph/s. A focus in designing the beamlines lay on achieving high beam stability, for example by implementing a horizontal bounce double crystal monochromator at FMX. A combination of compound refractive lenses and bimorph mirror optics at FMX supports rapid beam size changes. Central components of the in-house developed experimental stations are horizontal axis goniometers with a target sphere of confusion of 100 nm, piezo-slits for dynamic beam size changes during diffraction experiments, dedicated secondary goniometers for data collection from specimen in crystallization plates, and next generation pixel array detectors. FMX and AMX will support a broad range of biomedical structure determination methods from serial crystallography on micron-sized crystals, to structure determination of complexes in large unit cells, to rapid sample screening and room temperature data collection of crystals in trays.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A microscopic derivation of nuclear collective rotation-vibration model and its application to nuclei

We derive a microscopic version of the successful phenomenological hydrodynamic model of Bohr-Davydov-Faessler-Greiner for collective rotation-vibration motion of an axially symmetric deformed nucleus. The derivation is not limited to small oscillation amplitude. The nuclear Schrodinger equation is canonically transformed to collective co-ordinates, which is then linearized using a constrained variational method. The associated constraints are imposed on the wavefunction rather than on the particle co-ordinates. The approach yields three self-consistent, time-reversal invariant, cranking-type Schrodinger equations for the rotation-vibration and intrinsic motions, and a self-consistency equation. For harmonic oscillator mean-field potentials, these equations are solved in closed forms for excitation energy, cut-off angular momentum, and other nuclear properties for the ground-state rotational band in some deformed nuclei. The results are compared with measured data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Collective dynamic dipole moment and orientation fluctuations, cooperative hydrogen bond relaxations, and their connections to dielectric relaxation in ionic acetamide deep eutectics: Microscopic insight from simulations

The paper reports a detailed simulation study on collective reorientational relaxation, cooperative hydrogen bond (H-bond) fluctuations, and their connections to dielectric relaxation (DR) in deep eutectic solvents made of acetamide and three uni-univalent electrolytes, lithium nitrate (LiNO{sub 3}), lithium bromide (LiBr), and lithium perchlorate (LiClO{sub 4}). Because cooperative H-bond fluctuations and ion migration complicate the straightforward interpretation of measured DR timescales in terms of molecular dipolar rotations for these conducting media which support extensive intra- and inter-species H-bonding, one needs to separate out the individual components from the overall relaxation for examining the microscopic origin of various timescales. The present study does so and finds that reorientation of ion-complexed acetamide molecules generates relaxation timescales that are in sub-nanosecond to nanosecond range. This explains in molecular terms the nanosecond timescales reported by recent giga-Hertz DR measurements. Interestingly, the simulated survival timescale for the acetamide-Li{sup +} complex has been found to be a few tens of nanosecond, suggesting such a cation-complexed species may be responsible for a similar timescale reported by mega-Hertz DR measurements of acetamide/potassium thiocyanate deep eutectics near room temperature. The issue of collective versus single particle relaxation is discussed, and jump waiting time distributions are determined. Dependence on anion-identity in each of the cases has been examined. In short, the present study demonstrates that assumption of nano-sized domain formation is not required for explaining the DR detected nanosecond and longer timescales in these media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Contour forward flux sampling: Sampling rare events along multiple collective variables

Many rare event transitions involve multiple collective variables (CVs), and the most appropriate combination of CVs is generally unknown a priori. As such, we introduce a new method, contour forward flux sampling (cFFS), to study rare events with multiple CVs simultaneously. cFFS places nonlinear interfaces on-the-fly from the collective progress of the simulations, without any prior knowledge of the energy landscape or appropriate combination of CVs. We demonstrate cFFS on analytical potential energy surfaces and a conformational change in alanine dipeptide.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Charge collection in h -BN neutron detectors at elevated temperatures

Many of the neutron detector applications are in the environments with harsh conditions such as high temperatures. We report here the measurements of charge collection parameters of hexagonal boron nitride (h-BN) detectors at elevated temperatures, including the electron mobility-lifetime product (μτ) and surface recombination field (s/μ). It was found that μτ is increased, while s/μ is decreased as temperature increases. The temperature dependence of the surface recombination field (s/μ) revealed that electrons trapped in the surface states tend to thermally activate to the bulk region at higher temperatures with an activation energy of about 0.22 eV, leading to a reduction in the density of the charged surface states at elevated temperatures. Consequently, the charge collection efficiency is enhanced at elevated temperatures due to a reduced surface recombination field and increased electron mobility-lifetime product. The results suggested that h-BN neutron detectors are favorable for high temperature operation.

47 OTHER INSTRUMENTATION↗