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At least 235 records · Page 13

Persistence of crystal orientations across sub-micron-scale "super-grains" in self-organized Cu-W nanocomposites

We use precession electron diffraction to investigate the crystallographic character of copper (Cu)-tungsten (W) nanocomposites fabricated via physical vapor co-deposition at 400 oC. We observe sub-micron-scale regions, where apparently disconnected Cu and W grains have near identical crystallographic orientations. This persistence of grain orientations suggests Cu and W grains within these regions are interconnected in 3-D when they first form and may be considered as intercalated, sub-micron-scale "super-grains". Indeed, atom probe tomography provides direct evidence of 3-D interconnectivity of W domains. Our findings shed light on the structure and self organization mechanisms of nanocomposites formed by spontaneous phase separation of co-deposited metals.

Yadav, Digvijay↗

Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens [Fast Atomic-Scale Chemical Imaging of Crystalline Materials by STEM Energy-Dispersive X-ray Spectroscopy Achieved with Thin Specimens].

Abstract Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm 2 with the acquisition time of ~2 s or less. Here we report the details of this method, and, in particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO 3 in [001] projection for 200 keV electrons.

47 OTHER INSTRUMENTATION↗

Pilot-Scale Continuous Plug-Flow Hydrothermal Liquefaction of Food Waste for Biocrude Production

Pilot-scale hydrothermal liquefaction (HTL) of biowaste is a critical step toward commercialization of the HTL technology. Despite many HTL studies conducted with wet biomass, including food waste, few were performed with a pilot-scale continuous plug-flow reactor (PFR), with the biocrude yield and quality analysis based on dewatering (ASTM D2892 Annex X1). This paper describes the development and performance evaluation of a mobile pilot-scale HTL continuous PFR, with a processing capacity of 60 L/h of wet feedstock and 6 L/h of biocrude production. The reactor system was designed for reaction conditions of up to 325 °C and 17.25 MPa. The reactor has a volume of 28.88 L with an additional counterflow heat exchanger volume of 18.07 L. Two types of food wastes, from a food processing plant and grocery store, were processed at 280 °C for 30 min, producing biocrude oil yields of 52.19 and 47.06 wt %, energy recoveries of 68.17 and 70.77%, and carbon recoveries of 66.91 and 64.78%, respectively. Furthermore, due to its high feedstock capacity and reaction volume, large amounts of biocrude oil and post-HTL wastewater (PHW) were obtained from this pilot-scale reactor to allow downstream research on upgrading biocrude oil for transportation fuel as well as PHW treatment and nutrient recovery.

09 BIOMASS FUELS↗

Development and Scale-up of Continuous Electrocatalytic Hydrogenation of Functionalized Nitro arenes, Nitriles and Unsaturated Aldehydes

Electrolysis reactors based on the filter-press architecture of redox flow batteries have proven to be effective and scalable towards the production of commercially relevant, pharmaceutical quantities of anilines (>500 kg/year) from halogen-, hydroxyl-, and carbonyl-substituted nitroarenes. Turbulent flow through the carbon felts on which the catalysts were supported facilitated scaling towards production levels because it conferred on the reactors scale-independent, plug flow-like residence time distributions and high mass transfer coefficients. Equipping the cells with micro-reference electrodes made it possible to transfer reaction conditions first developed in batch systems to the continuous flow reactors. The catalysts prepared by incipient wetness impregnation of metal salts into lightly oxidized carbon felt supports were readily generalizable.

Egbert, Jonathan D.↗

Relative Permeability Scaling From Pore-Scale Flow Regimes

Relative permeability measurements are commonly fitted with the Corey and Brooks-Corey correlations. Despite such correlations fit experimental data generally well, they are mostly of an empirical nature. Here, we propose a semiempirical model to determine relative permeabilities of the wetting and the nonwetting phases in real 3-D porous media that accounts for pore-scale flow regimes. The starting point is the homogenization framework proposed by Picchi and Battiato (2018, https://doi.org/10.1029/2018WR023172), where the upscaling is conducted for different spatial distributions of the flowing phases in the capillary tube setting. First, we extend the approach to realistic media by allowing pore-scale flow regimes to coexist in a complex geometry while accounting for capillary and viscous limits in the dynamics. Then, we discuss the scaling behavior of normalized relative permeabilities in terms of the phases viscosity ratio and identify three classes which govern their scaling. We also derive an analytical expression for the fractional flow. Finally, we provide a detailed validation of the proposed model for both relative permeabilities and fractional flow against data from numerical simulations and experiments available in the literature. Lastly, the data set used for validation covers a wide range of systems, ranging from brine-CO 2 to oil-water flows. The equations derived capture well the trend of both numerical and experimental data.

54 ENVIRONMENTAL SCIENCES↗

Particle-in-cell modeling for MJ scale dense plasma focus with varied anode shape

Megajoule scale dense plasma focus (DPF) Z-pinches with deuterium gas fill are compact devices capable of producing 10{sup 12} neutrons per shot but past predictive models of large-scale DPF have not included kinetic effects such as ion beam formation or anomalous resistivity. We report on progress of developing a predictive DPF model by extending our 2D axisymmetric collisional kinetic particle-in-cell (PIC) simulations from the 4 kJ, 200 kA LLNL DPF to 1 MJ, 2 MA Gemini DPF using the PIC code LSP. These new simulations incorporate electrodes, an external pulsed-power driver circuit, and model the plasma from insulator lift-off through the pinch phase. To accommodate the vast range of relevant spatial and temporal scales involved in the Gemini DPF within the available computational resources, the simulations were performed using a new hybrid fluid-to-kinetic model. This new approach allows single simulations to begin in an electron/ion fluid mode from insulator lift-off through the 5-6 μs run-down of the 50+ cm anode, then transition to a fully kinetic PIC description during the run-in phase, when the current sheath is 2-3 mm from the central axis of the anode. Simulations are advanced through the final pinch phase using an adaptive variable time-step to capture the fs and sub-mm scales of the kinetic instabilities involved in the ion beam formation and neutron production. Validation assessments are being performed using a variety of different anode shapes, comparing against experimental measurements of neutron yield, neutron anisotropy and ion beam production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Impact of the pedestal plasma density on dynamics of edge localized mode crashes and energy loss scaling

The latest BOUT++ studies show an emerging understanding of dynamics of edge localized mode(ELM) crashes and the consistent collisionality scaling of ELMenergy losses with the world multi-tokamak database. A series of BOUT++ simulations are conducted to investigate the scaling characteristics of the ELMenergy losses vs collisionality via a density scan. Moreover, the linear results demonstrate that as the pedestal collisionality decreases, the growth rate of the peeling-ballooning modes decreases for high n but increases for low n (1 < n < 5), therefore the width of the growth rate spectrum γ(n) becomes narrower and the peak growth shifts to lower n. For nonlinear BOUT++ simulations show a two-stage process of ELM crash evolution of (i) initial bursts of pressure blob and void creation and (ii) inward void propagation. The inward void propagation stirs the top of pedestal plasma and yields an increasing ELM size with decreasing collisionality after a series of micro-bursts. The pedestal plasma density plays a major role in determining the ELMenergy loss through its effect on the edge bootstrap current and ion diamagnetic stabilization. Finally, the critical trend emerges as a transition (1) linearly from ballooning-dominated states at high collisionality to peeling-dominated states at low collisionality with decreasing density and (2) nonlinearly from turbulence spreading dynamics at high collisionality into avalanche-like dynamics at low collisionality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ion scale nonlinear interaction triggered by disparate scale electron temperature gradient mode

We have observed that the disparate scale nonlinear interactions between the high-frequency (∼0.4 MHz) electron temperature gradient (ETG) mode and the ion-scale low-frequency fluctuations (∼kHz) were enhanced when the amplitude of the ETG mode exceeded a certain threshold. The dynamics of nonlinear coupling between the ETG mode and the drift wave (DW) mode has already been reported [C. Moon, T. Kaneko, and R. Hatakeyama, Phys. Rev. Lett. (2013)]. Here, we have newly observed that another low-frequency fluctuation with f ≃ 3.6 kHz, i.e., the flute mode, was enhanced, corresponding to the saturation of the DW mode growth. Specifically, the bicoherence between the flute mode and the DW mode reaches a significant level when the ∇T{sub e}/T{sub e} strength exceeded 0.54 cm{sup −1}. Thus, it is shown that the ETG mode energy was transferred to the DW mode, and then the energy was ultimately transferred to the flute mode, which was triggered by the disparate scale nonlinear interactions between the ETG and ion-scale low-frequency modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Point contact tunneling spectroscopy apparatus for large scale mapping of surface superconducting properties

In this paper, we describe the design and testing of a point contact tunneling spectroscopy device that can measure material surface superconducting properties (i.e., the superconducting gap Δ and the critical temperature T C ) and density of states over large surface areas with size up to mm 2 . The tip lateral (X,Y) motion, mounted on a (X,Y,Z) piezo-stage, was calibrated on a patterned substrate consisting of Nb lines sputtered on a gold film using both normal (Al) and superconducting (PbSn) tips at 1.5 K. The tip vertical (Z) motion control enables some adjustment of the tip-sample junction resistance that can be measured over 7 orders of magnitudes from a quasi-ohmic regime (few hundred Ω) to the tunnel regime (from tens of kΩ up to few GΩ). The low noise electronic and LabVIEW program interface are also presented. Finally, the point contact regime and the large-scale motion capabilities are of particular interest for mapping and testing the superconducting properties of macroscopic scale superconductor-based devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C{sub 6}-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ∼0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. This in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Lagrangian-space Effective Field Theory of large scale structures

Here, we introduce a Lagrangian-space Effective Field Theory (LEFT) formalism for the study of cosmological large scale structures. Unlike the previous Eulerian-space construction, it is naturally formulated as an effective field theory of extended objects in Lagrangian space. In LEFT the resulting finite size effects are described using a multipole expansion parameterized by a set of time dependent coefficients and organized in powers of the ratio of the wavenumber of interest k over the non-linear scale k NL . The multipoles encode the effects of the short distance modes on the long-wavelength universe and absorb UV divergences when present. There are no IR divergences in LEFT. Some of the parameters that control the perturbative approach are not assumed to be small and can be automatically resummed. We present an illustrative one-loop calculation for a power law universe. We describe the dynamics both at the level of the equations of motion and through an action formalism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Extending Higgs inflation with TeV scale new physics

Higgs inflation is among the most economical and predictive inflation models, although the original Higgs inflation requires tuning the Higgs or top mass away from its current experimental value by more than 2σ deviations, and generally gives a negligible tensor-to-scalar ratio r∼10{sup −3} (if away from the vicinity of critical point). In this work, we construct a minimal extension of Higgs inflation, by adding only two new weak-singlet particles at TeV scale, a vector-quark T and a real scalar S . The presence of singlets (T, S) significantly impact the renormalization group running of the Higgs boson self-coupling. With this, our model provides a wider range of the tensor-to-scalar ratio r=O(0.1)−O(10{sup −3}) , consistent with the favored r values by either BICEP2 or Planck data, while keeping the successful prediction of the spectral index n{sub s}≃0.96 . It allows the Higgs and top masses to fully fit the collider measurements. We also discuss implications for searching the predicted TeV-scale vector-quark T and scalar S at the LHC and future high energy pp colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Two-field analysis of no-scale supergravity inflation

Since the building-blocks of supersymmetric models include chiral superfields containing pairs of effective scalar fields, a two-field approach is particularly appropriate for models of inflation based on supergravity. In this paper, we generalize the two-field analysis of the inflationary power spectrum to supergravity models with arbitrary Kähler potential. We show how two-field effects in the context of no-scale supergravity can alter the model predictions for the scalar spectral index n s and the tensor-to-scalar ratio r, yielding results that interpolate between the Planck-friendly Starobinsky model and BICEP2-friendly predictions. In particular, we show that two-field effects in a chaotic no-scale inflation model with a quadratic potential are capable of reducing r to very small values << 0.1. Here, we also calculate the non-Gaussianity measure f NL , finding that is well below the current experimental sensitivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Lagrangian space consistency relation for large scale structure

Consistency relations, which relate the squeezed limit of an (N+1)-point correlation function to an N-point function, are non-perturbative symmetry statements that hold even if the associated high momentum modes are deep in the nonlinear regime and astrophysically complex. Recently, Kehagias & Riotto and Peloso & Pietroni discovered a consistency relation applicable to large scale structure. We show that this can be recast into a simple physical statement in Lagrangian space: that the squeezed correlation function (suitably normalized) vanishes. This holds regardless of whether the correlation observables are at the same time or not, and regardless of whether multiple-streaming is present. Furthermore, the simplicity of this statement suggests that an analytic understanding of large scale structure in the nonlinear regime may be particularly promising in Lagrangian space.

79 ASTRONOMY AND ASTROPHYSICS↗

Bias in the effective field theory of large scale structures

We study how to describe collapsed objects, such as galaxies, in the context of the Effective Field Theory of Large Scale Structures. The overdensity of galaxies at a given location and time is determined by the initial tidal tensor, velocity gradients and spatial derivatives of the regions of dark matter that, during the evolution of the universe, ended up at that given location. Similarly to what was recently done for dark matter, we show how this Lagrangian space description can be recovered by upgrading simpler Eulerian calculations. We describe the Eulerian theory. We show that it is perturbatively local in space, but non-local in time, and we explain the observational consequences of this fact. We give an argument for why to a certain degree of accuracy the theory can be considered as quasi time-local and explain what the operator structure is in this case. Furthermore, we describe renormalization of the bias coefficients so that, after this and after upgrading the Eulerian calculation to a Lagrangian one, the perturbative series for galaxies correlation functions results in a manifestly convergent expansion in powers of k/k NL and k/k M , where k is the wavenumber of interest, k NL is the wavenumber associated to the non-linear scale, and k M is the comoving wavenumber enclosing the mass of a galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of electron-scale turbulence and multi-scale interactions in the JET tokamak

Experimental observations in JET tokamak plasmas and gyrokinetic simulations point to an important role, for electron heat transport, of electron-scale instabilities and of their interaction with ion-scale instabilities. Since these effects are maximized for strong electron heating and ion-scale modes close to marginal stability, these findings are of high relevance for ITER plasmas, featuring both conditions. Gyrokinetic and quasi-linear transport models accounting for multi-scale effects are assessed against JET experimental results.

Physics↗