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At least 1,441 records · Page 80

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DOE OSTI2015

Voltage contrast X-ray photoelectron spectroscopy reveals graphene-substrate interaction in graphene devices fabricated on the C- and Si- faces of SiC

We report on an X-ray photoelectron spectroscopy (XPS) study of two graphene based devices that were analyzed by imposing a significant current under +3 V bias. The devices were fabricated as graphene layers(s) on hexagonal SiC substrates, either on the C- or Si-terminated faces. Position dependent potential distributions (IR-drop), as measured by variations in the binding energy of a C1s peak are observed to be sporadic for the C-face graphene sample, but very smooth for the Si-face one, although the latter is less conductive. We attribute these sporadic variations in the C-face device to the incomplete electrical decoupling between the graphene layer(s) with the underlying buffer and/or substrate layers. Variations in the Si2p and O1s peaks of the underlayer(s) shed further light into the electrical interaction between graphene and other layers. Since the potential variations are amplified only under applied bias (voltage-contrast), our methodology gives unique, chemically specific electrical information that is difficult to obtain by other techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Three-dimensional multimodal imaging and analysis of biphasic microstructure in a Ti–Ni–Sn thermoelectric material

The three-dimensional microstructure of levitation melted TiNi{sub 1.20}Sn has been characterized using the TriBeam system, a scanning electron microscope equipped with a femtosecond laser for rapid serial sectioning, to map the character of interfaces. By incorporating both chemical data (energy dispersive x-ray spectroscopy) and crystallographic data (electron backscatter diffraction), the grain structure and phase morphology were analyzed in a 155 μm × 178 μm × 210 μm volume and were seen to be decoupled. The predominant phases present in the material, half-Heusler TiNiSn, and full-Heusler TiNi{sub 2}Sn have a percolated structure. The distribution of coherent interfaces and high-angle interfaces has been measured quantitatively.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Simulation study of LEBT for transversely coupled beam from an ECR ion source

A Low-Energy intense-highly charged ion Accelerator Facility (LEAF) program has been launched at Institute of Modern Physics. This accelerator facility consists of a superconducting Electron Cyclotron Resonance (ECR) ion source, a Low Energy Beam Transport (LEBT) system, and a Radio Frequency Quadrupole (RFQ). It is especially of interest for the extracted ion beam from the ECR ion source, which is transversely coupled, and this property will significantly affect the beam transmission in the LEBT line and the matching with the downstream RFQ. In the beam transport design of LEAF, beam decoupling in the LEBT is considered to lower down the projection emittances and the feasibility of the design has been verified by beam simulation with a transversely coupled beam from the ECR ion source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Type II InAs/GaAsSb quantum dots: Highly tunable exciton geometry and topology

External control over the electron and hole wavefunctions geometry and topology is investigated in a p-i-n diode embedding a dot-in-a-well InAs/GaAsSb quantum structure with type II band alignment. We find highly tunable exciton dipole moments and largely decoupled exciton recombination and ionization dynamics. We also predicted a bias regime where the hole wavefunction topology changes continuously from quantum dot-like to quantum ring-like as a function of the external bias. All these properties have great potential in advanced electro-optical applications and in the investigation of fundamental spin-orbit phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Damage imaging in a laminated composite plate using an air-coupled time reversal mirror

We demonstrate the possibility of selectively imaging the features of a barely visible impact damage in a laminated composite plate by using an air-coupled time reversal mirror. The mirror consists of a number of piezoelectric transducers affixed to wedges of power law profiles, which act as unconventional matching layers. The transducers are enclosed in a hollow reverberant cavity with an opening to allow progressive emission of the ultrasonic wave field towards the composite plate. The principle of time reversal is used to focus elastic waves at each point of a scanning grid spanning the surface of the plate, thus allowing localized inspection at each of these points. The proposed device and signal processing removes the need to be in direct contact with the plate and reveals the same features as vibrothermography and more features than a C-scan. More importantly, this device can decouple the features of the defect according to their orientation, by selectively focusing vector components of motion into the object, through air. For instance, a delamination can be imaged in one experiment using out-of-plane focusing, whereas a crack can be imaged in a separate experiment using in-plane focusing. As a result, this capability, inherited from the principle of time reversal, cannot be found in conventional air-coupled transducers.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Thermodynamic and kinetic anisotropies in octane thin films

Confinement breaks the translational symmetry of materials, making all thermodynamic and kinetic quantities functions of position. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we use computer simulations to explore the effect of substrate-liquid interactions on thermodynamic and kinetic anisotropies induced by a solid substrate. We consider n-octane nano-films that are in contact with substrates with varying degrees of attraction, parameterized by an interaction parameter ϵ{sub S}. Complete freezing of octane nano-films is observed at low temperatures, irrespective of ϵ{sub S}, while at intermediate temperatures, a frozen monolayer emerges at solid-liquid and vapor-liquid interfaces. By carefully inspecting the profiles of translational and orientational relaxation times, we confirm that the translational and orientational degrees of freedom are decoupled at these frozen monolayers. At sufficiently high temperatures, however, free interfaces and solid-liquid interfaces close to loose (low-ϵ{sub S}) substrates undergo “pre-freezing,” characterized by mild peaks in several thermodynamic quantities. Two distinct dynamic regimes are observed at solid-liquid interfaces. The dynamics is accelerated in the vicinity of loose substrates, while sticky (high-ϵ{sub S}) substrates decelerate dynamics, sometimes by as much as two orders of magnitude. These two distinct dynamical regimes have been previously reported by Haji-Akbari and Debenedetti [J. Chem. Phys. 141, 024506 (2014)] for a model atomic glass-forming liquid. We also confirm the existence of two correlations—proposed in the above-mentioned work—in solid-liquid subsurface regions of octane thin films, i.e., a correlation between atomic density and normal stress, and between atomic translational relaxation time and lateral stress. Finally, we inspect the ability of different regions of an octane film to explore the potential energy landscape by performing inherent structure calculations, and observe no noticeable difference between the free surface and the bulk in efficiently exploring the potential energy landscape. This is unlike the films of model atomic glass formers that tend to sample their respective landscape more efficiently at free surfaces. We discuss the implications of this finding to the ability of octane—and other n-alkanes—to form ultrastable glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Development of a detachable high speed miniature scanning probe microscope for large area substrates inspection

We have developed a high speed, miniature scanning probe microscope (MSPM) integrated with a Positioning Unit (PU) for accurately positioning the MSPM on a large substrate. This combination enables simultaneous, parallel operation of many units on a large sample for high throughput measurements. The size of the MSPM is 19 × 45 × 70 mm{sup 3}. It contains a one-dimensional flexure stage with counter-balanced actuation for vertical scanning with a bandwidth of 50 kHz and a z-travel range of more than 2 μm. This stage is mechanically decoupled from the rest of the MSPM by suspending it on specific dynamically determined points. The motion of the probe, which is mounted on top of the flexure stage is measured by a very compact optical beam deflection (OBD). Thermal noise spectrum measurements of short cantilevers show a bandwidth of 2 MHz and a noise of less than 15 fm/Hz{sup 1/2}. A fast approach and engagement of the probe to the substrate surface have been achieved by integrating a small stepper actuator and direct monitoring of the cantilever response to the approaching surface. The PU has the same width as the MSPM, 45 mm and can position the MSPM to a pre-chosen position within an area of 275×30 mm{sup 2} to within 100 nm accuracy within a few seconds. During scanning, the MSPM is detached from the PU which is essential to eliminate mechanical vibration and drift from the relatively low-resonance frequency and low-stiffness structure of the PU. Although the specific implementation of the MSPM we describe here has been developed as an atomic force microscope, the general architecture is applicable to any form of SPM. This high speed MSPM is now being used in a parallel SPM architecture for inspection and metrology of large samples such as semiconductor wafers and masks.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Steady state plasma operation in RF dominated regimes on EAST

Significant progress has recently been made on EAST in the 2014 campaign, including the enhanced CW H&CD system over 20MW heating power (LHCD, ICRH and NBI), more than 70 diagnostics, ITER-like W-monoblock on upper divertor, two inner cryo-pumps and RMP coils, enabling EAST to investigate long pulse H mode operation with dominant electron heating and low torque to address the critical issues for ITER. H-mode plasmas were achieved by new H&CD system or 4.6GHz LHCD alone for the first time. Long pulse high performance H mode has been obtained by LHCD alone up to 28s at H{sub 98}∼1.2 or by combing of ICRH and LHCD, no or small ELM was found in RF plasmas, which is essential for steady state operation in the future Tokamak. Plasma operation in low collision regimes were implemented by new 4.6GHz LHCD with core Te∼4.5keV. The non-inductive scenarios with high performance at high bootstrap current fraction have been demonstrated in RF dominated regimes for long pulse operation. Near full non-inductive CD discharges have been achieved. In addition, effective heating and decoupling method under multi-transmitter for ICRF system were developed in this campaign, etc. EAST could be in operation with over 30MW CW heating and current drive power (LHCD ICRH NBI and ECRH), enhanced diagnostic capabilities and full actively-cooled metal wall from 2015. It will therefore allow to access new confinement regimes and to extend these regimes towards to steady state operation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

On the relative rotational motion between rigid fibers and fluid in turbulent channel flow

In this study, the rotation of small rigid fibers relative to the surrounding fluid in wall-bounded turbulence is examined by means of direct numerical simulations coupled with Lagrangian tracking. Statistics of the relative (fiber-to-fluid) angular velocity, referred to as slip spin in the present study, are evaluated by modelling fibers as prolate spheroidal particles with Stokes number, St, ranging from 1 to 100 and aspect ratio, λ, ranging from 3 to 50. Results are compared one-to-one with those obtained for spherical particles (λ = 1) to highlight effects due to fiber length. The statistical moments of the slip spin show that differences in the rotation rate of fibers and fluid are influenced by inertia, but depend strongly also on fiber length: Departures from the spherical shape, even when small, are associated with an increase of rotational inertia and prevent fibers from passively following the surrounding fluid. An increase of fiber length, in addition, decouples the rotational dynamics of a fiber from its translational dynamics suggesting that the two motions can be modelled independently only for long enough fibers (e.g., for aspect ratios of order ten or higher in the present simulations)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Secondary production of massive quarks in thrust

We present a factorization framework that takes into account the production of heavy quarks through gluon splitting in the thrust distribution for e{sup +}e{sup −} → hadrons. The explicit factorization theorems and some numerical results are displayed in the dijet region where the kinematic scales are widely separated, which can be extended systematically to the whole spectrum. We account for the necessary two-loop matrix elements, threshold corrections, and include resummation up to N{sup 3}LL order. We include nonperturbative power corrections through a field theoretical shape function, and remove the O(Λ{sub QCD}) renormalon in the partonic soft function by appropriate mass-dependent subtractions. Our results hold for any value of the quark mass, from an infinitesimally small (merging to the known massless result) to an infinitely large one (achieving the decoupling limit). This is the first example of an application of a variable flavor number scheme to final state jets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Hadronic resonance production measured by the ALICE experiment at LHC

Hadronic resonances are among the most interesting probes of the hot and dense matter created in Pb-Pb collisions. Due to their short lifetime, they are sensitive to the anticipated chiral symmetry restoration as well as to suppression and regeneration due to hadronic interactions in the final state. At intermediate and high transverse momenta the hadron resonances, which cover the range of masses between the light pions and heavier protons, contribute to the systematic study of the baryon anomaly and parton energy loss in the dense medium. Measurements in pp collisions are used as a reference for collision of heavier systems and contribute to precision tests of pQCD and of the currently available parameterizations of fragmentation functions. Studies in p-Pb collisions are important for the interpretation of heavy ion results as they allow the decoupling of the initial nuclear effects from hot matter final state effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Isotopomer-selective spectra of a single intact H 2 O molecule in the Cs + (D 2 O) 5 H 2 O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra

We report the vibrational signatures of a single H 2 O water molecule occupying distinct sites of the hydration network in the Cs + (H 2 O) 6 cluster. This is accomplished using isotopomer selective IR-IR hole-burning on the Cs + (D 2 O) 5 (H 2 O) clusters formed by gas-phase exchange of a single, intact H 2 O molecule for D 2 O in the Cs + (D 2 O) 6 ion. The OH stretching pattern of the Cs + (H 2 O) 6 isotopologue is accurately recovered by superposition of the isotopomer spectra, thus establishing that the H 2 O incorporation is random and that the OH stretching manifold is largely due to contributions from decoupled water molecules. This behavior enables a powerful new way to extract structural information from vibrational spectra of size-selected clusters by explicitly identifying the local environments responsible for specific infrared features. The Cs + (H 2 O) 6 structure was unambiguously assigned to the 4.1.1 isomer (a homodromic water tetramer with two additional flanking water molecules) from the fact that its computed IR spectrum matches the observed overall pattern and recovers the embedded correlations in the two OH stretching bands of the water molecule in the Cs + (D 2 O) 5 (H 2 O) isotopomers. The 4.1.1 isomer is the lowest in energy among other candidate networks at advanced (e.g., CCSD(T)) levels of theoretical treatment after corrections for (anharmonic) zero-point energy (ZPE). With the structure in hand, we then explore the mechanical origin of the various band locations using a local electric field formalism. Furthermore, this approach promises to provide a transferrable scheme for the prediction of the OH stretching fundamentals displayed by water networks in close proximity to solute ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Microscopic origin of read current noise in TaO{sub x}-based resistive switching memory by ultra-low temperature measurement

TaO{sub x}-based resistive random access memory (RRAM) attracts considerable attention for the development of next generation nonvolatile memories. However, read current noise in RRAM is one of the critical concerns for storage application, and its microscopic origin is still under debate. In this work, the read current noise in TaO{sub x}-based RRAM was studied thoroughly. Based on a noise power spectral density analysis at room temperature and at ultra-low temperature of 25 K, discrete random telegraph noise (RTN) and continuous average current fluctuation (ACF) are identified and decoupled from the total read current noise in TaO{sub x} RRAM devices. A statistical comparison of noise amplitude further reveals that ACF depends strongly on the temperature, whereas RTN is independent of the temperature. Measurement results combined with conduction mechanism analysis show that RTN in TaO{sub x} RRAM devices arises from electron trapping/detrapping process in the hopping conduction, and ACF is originated from the thermal activation of conduction centers that form the percolation network. At last, a unified model in the framework of hopping conduction is proposed to explain the underlying mechanism of both RTN and ACF noise, which can provide meaningful guidelines for designing noise-immune RRAM devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Isolating and quantifying cross-beam energy transfer in direct-drive implosions on OMEGA and the National Ignition Facility

The angularly resolved mass ablation rates and ablation-front trajectories for Si-coated CH targets were measured in direct-drive inertial confinement fusion experiments to quantify cross-beam energy transfer (CBET) while constraining the hydrodynamic coupling. A polar-direct-drive laser configuration, where the equatorial laser beams were dropped and the polar beams were repointed from a symmetric direct-drive configuration, was used to limit CBET at the pole while allowing it to persist at the equator. The combination of low- and high-CBET conditions observed in the same implosion allowed for the effects of CBET on the ablation rate and ablation pressure to be determined. Hydrodynamic simulations performed without CBET agreed with the measured ablation rate and ablation-front trajectory at the pole of the target, confirming that the CBET effects on the pole are small. The simulated mass ablation rates and ablation-front trajectories were in excellent agreement with the measurements at all angles when a CBET model based on Randall's equations [C. J. Randall et al., Phys. Fluids 24, 1474 (1981)] was included into the simulations with a multiplier on the CBET gain factor. These measurements were performed on OMEGA and at the National Ignition Facility to access a wide range of plasma conditions, laser intensities, and laser beam geometries. The presence of the CBET gain multiplier required to match the data in all of the configurations tested suggests that additional physics effects, such as intensity variations caused by diffraction, polarization effects, or shortcomings of extending the 1-D Randall model to 3-D, should be explored to explain the differences in observed and predicted drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Isotropic rotation vs. shear relaxation in supercooled liquids with globular cage molecules

The temperature dependence of the rotational dynamics of P{sub 4}Se{sub 3} molecules in the glass-forming molecular liquid P{sub 5}Se{sub 3} is studied using two-dimensional {sup 31}P nuclear magnetic resonance spectroscopy. Unlike typical molecular glass-forming liquids, the constituent molecules in the P{sub 5}Se{sub 3} liquid perform rapid isotropic rotation without significant translational diffusion in the supercooled regime and this rotational process shows a decoupling in time scale from shear relaxation by nearly six orders of magnitude at the glass transition. This dynamical behavior of liquid-like rotation and localized translation appears to be universal to glass-forming liquids with high-symmetry globular molecules that are characterized by an underlying thermodynamically stable plastic crystal phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Optical detection of strain and doping inhomogeneities in single layer MoS{sub 2}

Van der Waals single-layer materials are characterized by an inherent extremely low bending rigidity and therefore are prone to nanoscale structural modifications due to substrate interactions. Such interactions can induce excess charge concentration, conformational ripples, and residual mechanical strain. In this work, we employed spatially resolved Raman and photoluminescence (PL) images to investigate strain and doping inhomogeneities in a single layer exfoliated molybdenum disulphide crystal. We have found that correlations between the spectral parameters of the most prominent Raman bands A{sub 1}′ and E′ enable us to decouple and quantify strain and charge doping effects. In comparison with Atomic Force Microscopy (AFM) topography, we show that the spatial distribution of the position of the A{sup −} -trion PL peak is strain sensitive and its linewidth can capture features smaller than the laser spot size. The presented optical analysis may have implications in the development of high-quality devices based on two-dimensional materials since structural and electronic modifications affect considerably their carrier mobility and conductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Thermoelectric properties of In-rich InGaN and InN/InGaN superlattices

The thermoelectric properties of n-type InGaN alloys with high In-content and InN/InGaN thin film superlattices (SL) grown by molecular beam epitaxy are investigated. Room-temperature measurements of the thermoelectric properties reveal that an increasing Ga-content in ternary InGaN alloys (0 < x(Ga) < 0.2) yields a more than 10-fold reduction in thermal conductivity (κ) without deteriorating electrical conductivity (σ), while the Seebeck coefficient (S) increases slightly due to a widening band gap compared to binary InN. Employing InN/InGaN SLs (x(Ga) = 0.1) with different periods, we demonstrate that confinement effects strongly enhance electron mobility with values as high as ∼820 cm{sup 2}/V s at an electron density n{sub e} of ∼5×10{sup 19} cm{sup −3}, leading to an exceptionally high σ of ∼5400 (Ωcm){sup −1}. Simultaneously, in very short-period SL structures S becomes decoupled from n{sub e}, κ is further reduced below the alloy limit (κ < 9 W/m-K), and the power factor increases to 2.5×10{sup −4} W/m-K{sup 2} by more than a factor of 5 as compared to In-rich InGaN alloys. These findings demonstrate that quantum confinement in group-III nitride-based superlattices facilitates improvements of thermoelectric properties over bulk-like ternary nitride alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Buffer-eliminated, charge-neutral epitaxial graphene on oxidized 4H-SiC (0001) surface

Buffer-eliminated, charge-neutral epitaxial graphene (EG) is important to enhance its potential in device applications. Using the first principles Density Functional Theory calculations, we investigated the effect of oxidation on the electronic and structural properties of EG on 4H-SiC (0001) surface. Our investigation reveals that the buffer layer decouples from the substrate in the presence of both silicate and silicon oxy-nitride at the interface, and the resultant monolayer EG is charge-neutral in both cases. The interface at 4H-SiC/silicate/EG is characterized by surface dangling electrons, which opens up another route for further engineering EG on 4H-SiC. Dangling electron-free 4H-SiC/silicon oxy-nitride/EG is ideal for achieving charge-neutral EG.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗