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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Contributed Review: Nuclear magnetic resonance core analysis at 0.3 T

Nuclear magnetic resonance (NMR) provides a powerful toolbox for petrophysical characterization of reservoir core plugs and fluids in the laboratory. Previously, there has been considerable focus on low field magnet technology for well log calibration. Now there is renewed interest in the study of reservoir samples using stronger magnets to complement these standard NMR measurements. Here, the capabilities of an imaging magnet with a field strength of 0.3 T (corresponding to 12.9 MHz for proton) are reviewed in the context of reservoir core analysis. Quantitative estimates of porosity (saturation) and pore size distributions are obtained under favorable conditions (e.g., in carbonates), with the added advantage of multidimensional imaging, detection of lower gyromagnetic ratio nuclei, and short probe recovery times that make the system suitable for shale studies. Intermediate field instruments provide quantitative porosity maps of rock plugs that cannot be obtained using high field medical scanners due to the field-dependent susceptibility contrast in the porous medium. Example data are presented that highlight the potential applications of an intermediate field imaging instrument as a complement to low field instruments in core analysis and for materials science studies in general.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

DFT study of Fe-Ni core-shell nanoparticles: Stability, catalytic activity, and interaction with carbon atom for single-walled carbon nanotube growth

Metal catalysts play an important role in the nucleation and growth of single-walled carbon nanotubes (SWCNTs). It is essential for probing the nucleation and growth mechanism of SWCNTs to fundamentally understand the properties of the metal catalysts and their interaction with carbon species. In this study, we systematically studied the stability of 13- and 55-atom Fe and Fe-Ni core-shell particles as well as these particles interaction with the carbon atoms using the density functional theory calculations. Icosahedral 13- and 55-atom Fe-Ni core-shell bimetallic particles have higher stability than the corresponding monometallic Fe and Ni particles. Opposite charge transfer (or distribution) in these particles leads to the Fe surface-shell displays a positive charge, while the Ni surface-shell exhibits a negative charge. The opposite charge transfer would induce different chemical activities. Compared with the monometallic Fe and Ni particles, the core-shell bimetallic particles have weaker interaction with C atoms. More importantly, C atoms only prefer staying on the surface of the bimetallic particles. In contrast, C atoms prefer locating into the subsurface of the monometallic particles, which is more likely to form stable metal carbides. The difference of the mono- and bimetallic particles on this issue may result in different nucleation and growth mechanism of SWCNTs. Our findings provide useful insights for the design of bimetallic catalysts and a better understanding nucleation and growth mechanism of SWCNTs.

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

Synthesis, structural characterization and magnetic properties of Fe/Pt core-shell nanoparticles

Structural and magnetic properties of Fe/Pt core-shell nanostructure prepared by a sequential reduction process are reported. Transmission electron microscopy shows nearly spherical particles fitting a lognormal size distribution with D{sub o} = 3.0 nm and distribution width λ{sub D} = 0.31. In x-ray diffraction, Bragg lines only from the Pt shell are clearly identified with line-widths yielding crystallite size = 3.1 nm. Measurements of magnetization M vs. T (2 K–350 K) in magnetic fields up to 90 kOe show a blocking temperature T{sub B} = 13 K below which hysteresis loops are observed with coercivity H{sub C} increasing with decreasing T reaching H{sub C} = 750 Oe at 2 K. Temperature dependence of the ac susceptibilities at frequencies f{sub m} = 10 Hz–5 kHz is measured to determine the change in T{sub B} with f{sub m} using the Vogel-Fulcher law. This analysis shows the presence of significant interparticle interaction, the Neel-Brown relaxation frequency f{sub o} = 5.3 × 10{sup 10 }Hz and anisotropy constant K{sub a} = 3.6 × 10{sup 6 }ergs/cm{sup 3}. A fit of the M vs. H data up to H = 90 kOe for T > T{sub B} to the modified Langevin function taking particle size distribution into account yields magnetic moment per particle consistent with the proposed core-shell structure; Fe core of 2.2 nm diameter and Pt shell of 0.4 nm thickness.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Bending of five-layer beams with crosswise corrugated main core

The subject of the study is one orthotropic thin-walled sandwich beam with trapezoidal core and two-layer facings. The outer layers of facings are flat, but inner layers are trapezoidal corrugated. The main core of the beam is also trapezoidal corrugated – in perpendicular direction to the corrugation of inner layers of facings. The beam is with lengthwise corrugated layers and crosswise corrugated main core. The mathematical and physical model of this beam is formulated, and also the field of displacements. The system of equilibrium equations is analytically derived using the energy method. The obtained solutions will be verified numerically (FEM)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Identification and characteristics of ZnO/MgO core-shell nanowires

In this paper, ZnO/MgO core-shell nanowires are synthesized based on a one-step chemical vapor deposition (CVD) method. The scanning electron microscopy (SEM) images of core-shell nanowires indicate that Mg addition has little influence on the morphology of the synthesizing products. High crystalline quality ZnO/MgO core-shell nanowires instead of ZnMgO ternary compounds are identified by X-ray diffraction (XRD) patterns, transmission electron microscopy (TEM) images, selected area electron diffraction (SAED) pattern and photoluminescence (PL) spectra. The experimental results show that the ultraviolet (UV) emission of these samples with MgO shell is 12 times higher than that of the corresponding bare ZnO nanowires, and the suppression of the green emission is only 1/45 of the bare ZnO nanowires. It is also found that PL properties are proportional to Mg ratio. The UV emission enhancement and green emission suppression are due to the passivation of surface defects and the improvement of ZnO crystalline quality. The results are very useful for the development of optical devices based on nanowires.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Plasma current start-up by the outer ohmic heating coils in the Saskatchewan TORus Modified (STOR-M) iron core tokamak

A plasma current up to 15 kA has been driven with outer ohmic heating (OH) coils in the STOR-M iron core tokamak. Even when the inner OH coil is disconnected, the outer OH coils alone can induce the plasma current as primary windings and initial breakdown are even easier in this coil layout. Our results suggest a possibility to use an iron core in a spherical tokamak to start up the plasma current without a central solenoid. Finally, the effect of the iron core saturation on the extension of the discharge pulse length has been estimated for further experiments in the STOR-M tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Electrodeposited Co{sub 93.2}P{sub 6.8} nanowire arrays with core-shell microstructure and perpendicular magnetic anisotropy

We demonstrate the formation of an unusual core-shell microstructure in Co{sub 93.2}P{sub 6.8} nanowires electrodeposited by alternating current (ac) in an alumina template. By means of transmission electron microscopy, it is shown that the coaxial-like nanowires contain amorphous and crystalline phases. Analysis of the magnetization data for Co-P alloy nanowires indicates that a ferromagnetic core is surrounded by a weakly ferromagnetic or non-magnetic phase, depending on the phosphor content. The nanowire arrays exhibit an easy axis of magnetization parallel to the wire axis. For this peculiar composition and structure, the coercivity values are 2380 ± 50 and 1260 ± 35 Oe, parallel and perpendicular to the plane directions of magnetization, respectively. This effect is attributed to the core-shell structure making the properties and applications of these nanowires similar to pure cobalt nanowires with an improved perpendicular anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Radial stability and configuration transition of carbon nanotubes regulated by enclosed cores

The radial stability and configuration transition of carbon nanotubes (CNTs) with enclosed cores have been studied in this paper by using atomistic simulations. We found that an abnormal transition of CNTs from open to collapse can be regulated by enclosing deformable and rigid cores. The energy barrier for the configuration transition can be reduced by nearly one order of magnitude due to the presence of these cores, i.e., from ∼0.3 eV/Å to ∼0.03 eV/Å. These findings may provide guidance for the design of controllable CNT-based carrier systems for the delivery of drug, gene and fluid.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis of fluorescent core-shell nanomaterials and strategies to generate white light

In this work, cadmium free core-shell ZnS:X/ZnS (X = Mn, Cu) nanoparticles have been synthesized and used for white light generation. First, the doping concentration of Manganese (Mn) was varied from 1% to 4% to optimize the dopant related emission and its optimal value was found to be 1%. Then, ZnS shell was grown over ZnS:Mn(1%) core to passivate the surface defects. Similarly, the optimal concentration of Copper (Cu) was found to be 0.8% in the range varied from 0.6% to 1.2%. In order to obtain an emission in the whole visible spectrum, dual doping of Mn and Cu was done in the core and the shell, respectively. A solid-solid mixing in different ratios of separately doped quantum dots (QDs) emitting in the blue green and the orange region was performed. Results show that the optimum mixture of QDs excited at 300 nm gives Commission Internationale del'Éclairage color coordinates of (0.35, 0.36), high color rendering index of 88, and correlated color temperature of 4704 K with minimum self-absorption.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Fluorene- and benzofluorene-cored oligomers as low threshold and high gain amplifying media

Deliberate control of intermolecular interactions in fluorene- and benzofluorene-cored oligomers was attempted via introduction of different-length alkyl moieties to attain high emission amplification and low amplified spontaneous emission (ASE) threshold at high oligomer concentrations. Containing fluorenyl peripheral groups decorated with different-length alkyl moieties, the oligomers were found to express weak concentration quenching of emission, yet excellent carrier drift mobilities (close to 10{sup −2} cm{sup 2}/V/s) in the amorphous films. Owing to the larger radiative decay rates (>1.0 × 10{sup 9 }s{sup −1}) and smaller concentration quenching, fluorene-cored oligomers exhibited down to one order of magnitude lower ASE thresholds at higher concentrations as compared to those of benzofluorene counterparts. The lowest threshold (300 W/cm{sup 2}) obtained for the fluorene-cored oligomers at the concentration of 50 wt % in polymer matrix is among the lowest reported for solution-processed amorphous films in ambient conditions, what makes the oligomers promising for lasing application. Great potential in emission amplification was confirmed by high maximum net gain (77 cm{sup −1}) revealed for these compounds. Although the photostability of the oligomers was affected by photo-oxidation, it was found to be comparable to that of various organic lasing materials including some commercial laser dyes evaluated under similar excitation conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Highly non-linear solid core photonic crystal fiber with one nano hole

The numerical study of newly designed solid core photonic crystal fiber (SCPCF) having three hexagonal air hole rings in cladding region and one small nano hole at the center are presented. By using full vectorial finite element method (FV-FEM), we analyses the optical properties like effective area, nonlinearity and confinement loss of the proposed PCF. Results show that the change in core diameter controls the effective area, nonlinearity and confinement loss. A low effective area (3.34 µm{sup 2}), high nonlinearity (36.34 W{sup −1}km{sup −1}) and low confinement loss (0.00106 dB/km) are achieved at the communication wavelength 1.55 µm for the SCPCF having core air hole diameter 0.10 µm, cladding air holes diameter 1.00 µm and pitch 2.50 µm. This type of PCF is very useful in non-linear applications such as supercontinuum generation, four wave mixing, second harmonic generation etc.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate R{sub c}, the crystalline state is bypassed and a metastable, amorphous glassy state forms instead. R{sub c} (or the corresponding critical casting thickness d{sub c}) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small R{sub c} < 10{sup −2} K/s, pure metals and most alloys are typically poor glass-formers with large R{sub c} > 10{sup 10} K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with R{sub c} approaching that for silica. Recent simulations have shown that simple, hard-sphere models are able to identify the atomic size ratio and number fraction regime where BMGs exist with critical cooling rates more than 13 orders of magnitude smaller than those for pure metals. However, there are a number of other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? In this manuscript, we perform molecular dynamics simulations to determine how variations in the softness and non-additivity of the repulsive core and form of the interatomic pair potential at intermediate distances affect the GFA of binary alloys. These variations in the interatomic pair potential allow us to introduce geometric frustration and change the crystal phases that compete with glass formation. We also investigate the effect of tuning the strength of the many-body interactions from zero to the full embedded atom model on the GFA for pure metals. We then employ the full embedded atom model for binary BMGs and show that hard-core interactions play the dominant role in setting the GFA of alloys, while other features of the interatomic potential only change the GFA by one to two orders of magnitude. Despite their perturbative effect, understanding the detailed form of the intermetallic potential is important for designing BMGs with cm or greater casting thickness.

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

Electron cyclotron heating and core intrinsic rotation reversal in DIII-D

The effect of electron cyclotron heating (ECH) on the intrinsic rotation profile in DIII-D is shown experimentally. Former DIII-D experiments have shown that ECH tends to cause an interior reduction in the normally co-Ip directed intrinsic rotation profile, and this core rotation can be fully reversed to the opposite direction. This effect is due to a turbulent rearrangement of the interior rotation profile. Here, we show results that there is more than one mechanism causing this. We compare two low density L-mode discharges where the only operational difference is the location of the ECH deposition. At low ECH power, comparable to the Ohmic power, the primary change is in the q-profile accompanied by a reversal of the core intrinsic rotation direction for the more off-axis deposition. The change in the shear of the q-profile fits well with a recent theoretical prediction for this rotation reversal. At higher ECH power, the primary change is in the core electron temperature, Te, accompanied by a hollowing of the rotation profile near the magnetic axis. This effect appears to be due to the change in electron collisionality, consistent with another theoretical, gyrokinetic prediction. The variety of phenomena that could allow ECH to modify the intrinsic rotation profile give some expectation that regions of large velocity shear in the interior could be generated, with the possibility of triggering internal transport barriers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 ({sup 233}U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintaining the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Current-driven antivortex core resonance measured by the rectifying effect

We demonstrate the current-driven resonance of a single antivortex core confined in a cross-shaped Ni{sub 81}Fe{sub 19} wire. The antivortex core dynamics can be excited purely by spin transfer torque; therefore, it is significant to understand the current-induced magnetization dynamics. The antivortex core resonance can be measured from the frequency dependence of a rectified voltage generated by an alternating current application. We found that the resonance frequency and peak amplitude greatly depend on the external magnetic field. This result is in good agreement with micromagnetic simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states

We develop an iterative diagonalization scheme in solving a one-body self-consistent-field equation in the transcorrelated (TC) method using a plane-wave basis set. Non-Hermiticity in the TC method is well handled with a block-Davidson algorithm. We verify that the required computational cost is efficiently reduced by our algorithm. In addition, we apply our plane-wave-basis TC calculation to some simple sp-electron systems with deep core states to elucidate an impact of the pseudopotential approximation to the calculated band structures. We find that a position of the deep valence bands is improved by an explicit inclusion of core states, but an overall band structure is consistent with a regular setup that includes core states into the pseudopotentials. This study offers an important understanding for the future application of the TC method to strongly correlated solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Perforated hollow-core optical waveguides for on-chip atomic spectroscopy and gas sensing

A hollow-core waveguide structure for on-chip atomic spectroscopy is presented. The devices are based on Anti-Resonant Reflecting Optical Waveguides and may be used for a wide variety of applications which rely on the interaction of light with gases and vapors. The designs presented here feature short delivery paths of the atomic vapor into the hollow waveguide. They also have excellent environmental stability by incorporating buried solid-core waveguides to deliver light to the hollow cores. Completed chips were packaged with an Rb source and the F = 3 ≥ F′ = 2, 3, 4 transitions of the D2 line in {sup 85}Rb were monitored for optical absorption. Maximum absorption peak depths of 9% were measured.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Localized surface plasmon mediated energy transfer in the vicinity of core-shell nanoparticle

Multipole spectral expansion based theory of energy transfer interactions between a donor and an acceptor molecule in the vicinity of a core-shell (nanoshell or core@shell) based plasmonic nanostructure is developed. In view of the diverse applications and rich plasmonic features such as tuning capability of surface plasmon (SP) frequencies, greater sensitivity to the change of dielectric environment, controllable redirection of electromagnetic radiation, closed form expressions for Energy Transfer Rate Enhancement Factor (ETREF) near core-shell particle are reported. The dependence of ETREF on different parameters is established through fitting equations, perceived to be of key importance for developing appropriate designs. The theoretical approach developed in the present work is capable of treating higher order multipoles, which, in turn, are also shown to play a crucial role in the present context. Moreover, closed form expressions derived in the present work can directly be used as formula, e.g., for designing SP based biosensors and estimating energy exchange between proteins and excitonic interactions in quantum dots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗