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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Exact solution for inner displacements of graphene lattice

It is shown that in the frame of lattice statics approach to finding elastic moduli the homogeneous deformation of graphene monolayer transfers it into the non-equilibrium state. It is necessary to shift part of graphene atoms which form one of its “triangular” sublattices with respect to atoms of another sublattice in order to provide the sample minimum potential energy in a deformed state, while each sublattice is deformed homogeneously. Taking into account these inner displacements of graphene lattice allows obtaining more precise estimations of its elastic moduli. The exact expression for the vector of inner displacements depending on applied deformations and specimen size is found.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Studies of the beam extraction system of the GTS-LHC electron cyclotron resonance ion source at CERN

The 14.5 GHz GTS-LHC Electron Cyclotron Resonance Ion Source (ECRIS) provides multiply charged heavy ion beams for the CERN experimental program. The GTS-LHC beam formation has been studied extensively with lead, argon, and xenon beams with varied beam extraction conditions using the ion optical code IBSimu. The simulation model predicts self-consistently the formation of triangular and hollow beam structures which are often associated with ECRIS ion beams, as well as beam loss patterns which match the observed beam induced markings in the extraction region. These studies provide a better understanding of the properties of the extracted beams and a way to diagnose the extraction system performance and limitations, which is otherwise challenging due to the lack of direct diagnostics in this region and the limited availability of the ion source for development work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Investigation of gate-diode degradation in normally-off p-GaN/AlGaN/GaN high-electron-mobility transistors

Gate diode conduction mechanisms were analyzed in normally-off p-GaN/AlGaN/GaN high-electron mobility transistors grown on Si wafers before and after forward bias stresses. Electrical characterization of the gate diodes indicates forward current to be limited by channel electrons injected through the AlGaN/p-GaN triangular barrier promoted by traps. On the other hand, reverse current was found to be consistent with carrier generation-recombination processes in the AlGaN layer. Soft breakdown observed after ∼10{sup 5 }s during forward bias stress at gate voltage of 7 V was attributed to formation of conductive channel in p-GaN/AlGaN gate stack via trap generation and percolation mechanism, likely due to coexistence of high electric field and high forward current density. Possible enhancement of localized conductive channels originating from spatial inhomogeneities is proposed to be responsible for the degradation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On the estimation of sound speed in two-dimensional Yukawa fluids

The longitudinal sound speed in two-dimensional Yukawa fluids is estimated using the conventional hydrodynamic expression supplemented by appropriate thermodynamic functions proposed recently by Khrapak et al. [Phys. Plasmas 22, 083706 (2015)]. In contrast to the existing approaches, such as quasi-localized charge approximation (QLCA) and molecular dynamics simulations, our model provides a relatively simple estimate for the sound speed over a wide range of parameters of interest. At strong coupling, our results are shown to be in good agreement with the results obtained using the QLCA approach and those derived from the phonon spectrum for the triangular lattice. On the other hand, our model is also expected to remain accurate at moderate values of the coupling strength. In addition, the obtained results are used to discuss the influence of the strong coupling effects on the adiabatic index of two-dimensional Yukawa fluids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Incorporation of indium on cubic GaN epitaxially induced on a nanofaceted Si(001) substrate by phase transition

Here, the incorporation of In on the non-polar, piezoelectric-free (001) facet of cubic (c-) GaN epitaxially grown over a Si(001) substrate by metal-organic vapor phase epitaxy is reported. Relying on a hexagonal (h-) to c-phase transformation during epitaxy on an 800 nm-wide, Si(111)-faceted v-groove patterned into the substrate, the GaN epilayer at cross sectional view retains a triangular c-phase inside a chevron-shaped h-phase that results in a top surface bounded by a (001) facet parallel to Si(001) at the center and (11¯01) facets at both edges. A stack of five, ~3 nm-thick, In x Ga 1–x N/GaN quantum wells (QWs) was deposited on the double-phased top surface. The c-phase region up to the QWs keeps extremely small misfit (~0.002) to the fully relaxed h-GaN underneath it and is in tensile stress implying undefected by the h-c phase interface. Lastly, the In incorporation on a strained non-polar (001) of c-GaN is comparable with that on totally relaxed semi-polar (11¯01) of h-GaN without noticeable adatom migration across the phase boundary, and sufficient to provide the room-temperature green emission at 496 nm from the c-In x Ga 1–x N/GaN QWs on Si(001) in photoluminescence.

36 MATERIALS SCIENCE↗
DOE OSTI2016

HYDJET++ for ultra-relativistic HIC’s: A hot cocktail of hydrodynamics, resonances and jets

An ultra-relativistic heavy-ion collision at LHC energies is a mixture of soft and hard processes. For comparison with data we employ the HYDJET++ model, which combines the description of soft processes with the treatment of hard partons propagating hot and dense nuclear medium. Importance of the interplay of ideal hydrodynamics, final state interactions and jets for the description of harmonics of the anisotropic flow is discussed. Jets are found to be the main source of violation of the number-of-constituent-quark (NCQ) scaling at LHC energies. Many features of higher flow harmonics and dihadron angular correlations, including ridge, can be described by the interference of elliptic and triangular flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

On numerical solutions to the QCD ’t Hooft equation in the limit of large quark mass

First we give a short informal introduction to the theory behind the ’t Hooft equation. Then we consider numerical solutions to this equation in the limit of large fermion masses. It turns out that the spectrum of eigenvalues coincides with that of the Airy differential equation. Moreover when we take the Fourier transform of eigenfunctions, they look like the corresponding Airy functions with appropriate symmetry. It is known that these functions correspond to solutions of a one dimensional Schrodinger equation for a particle in a triangular potential well. So we find the analogy between this problem and the ’t Hooft equation. We also present a simple intuition behind these results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Investigation on the properties of omnidirectional photonic band gaps in two-dimensional plasma photonic crystals

The properties of omnidirectional photonic band gaps (OBGs) in two-dimensional plasma photonic crystals (2D PPCs) are theoretically investigated by the modified plane wave expansion method. In the simulation, we consider the off-plane incident wave vector. The configuration of 2D PPCs is the triangular lattices filled with the nonmagnetized plasma cylinders in the homogeneous and isotropic dielectric background. The calculated results show that the proposed 2D PPCs possess a flatbands region and the OBGs. Compared with the OBGs in the conventional 2D dielectric-air PCs, it can be obtained more easily and enlarged in the 2D PPCs with a similar structure. The effects of configurational parameters of the PPCs on the OBGs also are studied. The simulated results demonstrate that the locations of OBGs can be tuned easily by manipulating those parameters except for changing plasma collision frequency. The achieved OBGs can be enlarged by optimizations. The OBGs of two novel configurations of PPCs with different cross sections are computed for a comparison. Both configurations have the advantages of obtaining the larger OBGs compared with the conventional configuration, since the symmetry of 2D PPCs is broken by different sizes of periodically inserted plasma cylinders or connected by the embedded plasma cylinders with thin veins. The analysis of the results shows that the bandwidths of OBGs can be tuned by changing geometric and physical parameters of such two PPCs structures. The theoretical results may open a new scope for designing the omnidirectional reflectors or mirrors based on the 2D PPCs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Oxide-cladding aluminum nitride photonic crystal slab: Design and investigation of material dispersion and fabrication induced disorder

Photonic crystal slabs with a lower-index material surrounding the core layer are an attractive choice to circumvent the drawbacks in the fabrication of membranes suspended in air. In this work we propose a photonic crystal (PhC) slab structure composed of a triangular pattern of air holes in a multilayer thin film of aluminum nitride embedded in silicon dioxide layers designed for operating around 450 nm wavelengths. We show the design of an ideal structure and analyze the effects of material dispersion based on a first-order correction perturbation theory approach using dielectric functions obtained by experimental measurements of the thin film materials. Numerical methods were used to investigate the effects of fabrication induced disorder of typical nanofabrication processes on the bandgap size and spectral response of the proposed device. Deviation in holes radii and positions were introduced in the proposed PhC slab model with a Gaussian distribution profile. Impacts of slope in holes sidewalls that might result from the dry etching of AlN were also evaluated. The results show that for operation at the midgap frequency, slope in holes sidewalls is more critical than displacements in holes sizes and positions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Extension of the general thermal field equation for nanosized emitters

During the previous decade, Jensen et al. developed a general analytical model that successfully describes electron emission from metals both in the field and thermionic regimes, as well as in the transition region. In that development, the standard image corrected triangular potential barrier was used. This barrier model is valid only for planar surfaces and therefore cannot be used in general for modern nanometric emitters. In a recent publication, the authors showed that the standard Fowler-Nordheim theory can be generalized for highly curved emitters if a quadratic term is included to the potential model. In this paper, we extend this generalization for high temperatures and include both the thermal and intermediate regimes. This is achieved by applying the general method developed by Jensen to the quadratic barrier model of our previous publication. We obtain results that are in good agreement with fully numerical calculations for radii R > 4 nm, while our calculated current density differs by a factor up to 27 from the one predicted by the Jensen's standard General-Thermal-Field (GTF) equation. Our extended GTF equation has application to modern sharp electron sources, beam simulation models, and vacuum breakdown theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Band-to-band tunneling distance analysis in the heterogate electron–hole bilayer tunnel field-effect transistor

In this work, we analyze the behavior of the band-to-band tunneling distance between electron and hole subbands resulting from field-induced quantum confinement in the heterogate electron–hole bilayer tunnel field-effect transistor. We show that, analogously to the explicit formula for the tunneling distance that can be easily obtained in the semiclassical framework where the conduction and valence band edges are allowed states, an equivalent analytical expression can be derived in the presence of field-induced quantum confinement for describing the dependence of the tunneling distance on the body thickness and material properties of the channel. This explicit expression accounting for quantum confinement holds valid provided that the potential wells for electrons and holes at the top and bottom of the channel can be approximated by triangular profiles. Analytical predictions are compared to simulation results showing very accurate agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Observation and characterization of the smallest borospherene, B{sub 28}{sup −} and B{sub 28}

Free-standing boron nanocages or borospherenes have been observed recently for B{sub 40}{sup −} and B{sub 40}. There is evidence that a family of borospherenes may exist. However, the smallest borospherene is still not known. Here, we report experimental and computational evidence of a seashell-like borospherene cage for B{sub 28}{sup −} and B{sub 28}. Photoelectron spectrum of B{sub 28}{sup −} indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B{sub 28}{sup −} borospherene is competing for the global minimum with a planar isomer and it is shown to be present in the cluster beam, contributing to the observed photoelectron spectrum. The seashell structure is found to be the global minimum for neutral B{sub 28} and the B{sub 28}{sup −} cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B{sub 15} sheets, interconnected via the three corners by sharing two boron atoms. The B{sub 28} borospherene was found to obey the 2(n + 1){sup 2} electron-counting rule for spherical aromaticity.

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

An effective approach to synthesize monolayer tungsten disulphide crystals using tungsten halide precursor

The synthesis of large-area monolayer tungsten disulphide (WS{sub 2}) single crystal is critical for realistic application in electronic and optical devices. Here, we demonstrate an effective approach to synthesize monolayer WS{sub 2} crystals using tungsten hexachloride (WCl{sub 6}) as a solid precursor in atmospheric chemical vapor deposition process. In this technique, 0.05M solution of WCl{sub 6} in ethanol was drop-casted on SiO{sub 2}/Si substrate to create an even distribution of the precursor, which was reduced and sulfurized at 750 °C in Ar atmosphere. We observed growth of triangular, star-shaped, as well as dendritic WS{sub 2} crystals on the substrate. The crystal geometry evolves with the shape and size of the nuclei as observed from the dendritic structures. These results show that controlling the initial nucleation and growth process, large WS{sub 2} single crystalline monolayer can be grown using the WCl{sub 6} precursor. Our finding shows an easier and effective approach to grow WS{sub 2} monolayer using tungsten halide solution-casting, rather than evaporating the precursor for gas phase reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2016

View factor modeling of sputter-deposition on micron-scale-architectured surfaces exposed to plasma

The sputter-deposition on surfaces exposed to plasma plays an important role in the erosion behavior and overall performance of a wide range of plasma devices. Plasma models in the low density, low energy plasma regime typically neglect micron-scale surface feature effects on the net sputter yield and erosion rate. The model discussed in this paper captures such surface architecture effects via a computationally efficient view factor model. The model compares well with experimental measurements of argon ion sputter yield from a nickel surface with a triangle wave geometry with peak heights in the hundreds of microns range. Further analysis with the model shows that increasing the surface pitch angle beyond about 45° can lead to significant decreases in the normalized net sputter yield for all simulated ion incident energies (i.e., 75, 100, 200, and 400 eV) for both smooth and roughened surfaces. At higher incident energies, smooth triangular surfaces exhibit a nonmonotonic trend in the normalized net sputter yield with surface pitch angle with a maximum yield above unity over a range of intermediate angles. The resulting increased erosion rate occurs because increased sputter yield due to the local ion incidence angle outweighs increased deposition due to the sputterant angular distribution. The model also compares well with experimentally observed radial expansion of protuberances (measuring tens of microns) in a nano-rod field exposed to an argon beam. The model captures the coalescence of sputterants at the protuberance sites and accurately illustrates the structure's expansion due to deposition from surrounding sputtering surfaces; these capabilities will be used for future studies into more complex surface architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Semiconductor- to metallic-like behavior in Bi thin films on KCl substrate

Bi thin films, with a thickness of 100 nm, are deposited by electron-beam evaporation on a freshly cleaved (100) KCl substrate. The substrate temperature during film growth (T{sub dep}) ranges from room temperature up to 170 °C. Films deposited at room temperature exhibit a maze-like microstructure typical of the rhombohedral (110) texture, as confirmed by X-ray diffraction. For T{sub dep} above 80 °C, a different microstructure appears, characterized by concentric triangular shapes corresponding to the trigonal (111) texture. Temperature dependence of the resistivity shows a transition from a semiconductor-like behavior for films deposited at room temperature to a metallic-like behavior for T{sub dep} above 80 °C. From magnetoresistance measurements between room temperature and 1.6 K, we extract the electron and hole mobilities, concentrations, and mean free paths, which allow to draw a complete picture of the transport properties of both types of films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Influence of radiation on double conjugate diffusion in a porous cavity

The current work highlights the effect of radiation on the conjugate heat and mass transfer in a square porous cavity having a solid wall. The solid wall is placed at the center of cavity. The left surface of cavity is maintained at higher temperature T{sub w} and concentration C{sub w} whereas the right surface is maintained at T{sub c} and C{sub c} such that T{sub w}>T{sub c} and Cw>Cc. The top and bottom surfaces are adiabatic. The governing equations are solved with the help of finite element method by making use of triangular elements. The results are discussed with respect to two different heights of solid wall inside the porous medium along with the radiation parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of silver on the shape of palladium nanoparticles

We report a facile route to prepare palladium-silver nanoparticles at considerably low temperature. First the controlled synthesis of palladium nanoparticles was performed via reduction of sodium tetrachloropalladate (II) in ethylene glycol in the presence of PVP(polyvinylpyrrolidone) as capping agent. The reaction was carried out at three different temperatures-80°C, 100°C and 120°C for one hour. Short reaction time and low synthesis temperature adds advantage to this method over others. Formed palladium nanoparticles were nearly spherical with the average particle size of 7.5±0.5 nm, 9.5±0.5 nm and 10.5±0.5 nm at 80°C, 100°C and 120°C respectively. Secondly, the palladium-silver nanoparticles were prepared by the simultaneous reduction of palladium and silver from their respective precursors in ethylene glycol at 100°C (optimized temperature). The shape and size distribution was studied by TEM (Transmission Electron Microscopy). The role of silver in transforming the shape of palladium nanoparticles from spherical to triangular has been discussed. Spherical symmetry of palladium nanoparticles is disturbed by the interaction of silver ions on the crystal facets of palladium nanoparticles. From UV-vis spectra, the absorption maxima of palladium nanoparticles at 205 nm and absorption maxima of palladium-silver nanoparticles at 272 nm revealed the partial evidence of their formation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Shape-dependent electronic properties of blue phosphorene nano-flakes

In recent year’s considerable attention has been given to the first principles method for modifying and controlling electronic properties of nano-materials. We performed DFT-based calculations on the electronic properties of zigzag-edged nano-flakes of blue phosphorene with three possible shapes namely rectangular, triangular and hexagonal. We observed that HOMO-LUMO gap of zigzag phosphorene nano-flakes with different shapes is ∼2.9 eV with H-passivations and ∼0.7 – 1.2 eV in pristine cases. Electronic properties of blue phosphorene nano-flakes show the strong dependence on their shape. We observed that distributions of molecular orbitals were strongly affected by the different shapes. Zigzag edged considered nanostructures are non-magnetic and semiconducting in nature. The shape dependent electronic properties may find applications in tunable nano-electronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗