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At least 1,801 records · Page 100

Directed Assembly of Nanoparticle Catalysts on Nanowire Photoelectrodes for Photoelectrochemical CO 2 Reduction

Reducing carbon dioxide with a multicomponent artificial photosynthetic system, closely mimicking nature, represents a promising approach for energy storage. Previous works have focused on exploiting light-harvesting semiconductor nanowires (NW) for photoelectrochemical water splitting. With the newly developed CO 2 reduction nanoparticle (NP) catalysts, direct interfacing of these nanocatalysts with NW light absorbers for photoelectrochemical reduction of CO 2 becomes feasible. Here, we demonstrate a directed assembly of NP catalysts on vertical NW substrates for CO 2 -to-CO conversion under illumination. Guided by the one-dimensional geometry, well-dispersed assembly of Au 3 Cu NPs on the surface of Si NW arrays was achieved with facile coverage tunability. Such Au 3 Cu NP decorated Si NW arrays can readily serve as effective CO 2 reduction photoelectrodes, exhibiting high CO 2 -to-CO selectivity close to 80% at -0.20 V vs RHE with suppressed hydrogen evolution. A reduction of 120 mV overpotential compared to the planar (PL) counterpart was observed resulting from the optimized spatial arrangement of NP catalysts on the high surface area NW arrays. In addition, this system showed consistent photoelectrochemical CO 2 reduction capability up to 18 h. Furthermore, this simple photoelectrode assembly process will lead to further progress in artificial photosynthesis, by allowing the combination of developments in each subfield to create an efficient light-driven system generating carbon-based fuels.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

LiCoO(2) Concaved Cuboctahedrons from Symmetry-Controlled Topological Reactions

Morphology control of functional materials is generally performed by controlling the growth rates on selected orientations or faces. Here, we control particle morphology by 'crystal templating': by choosing appropriate precursor crystals and reaction conditions, we demonstrate that a material with rhombohedral symmetry - namely the layered, positive electrode material, LiCoO{sub 2} - can grow to form a quadruple-twinned crystal with overall cubic symmetry. The twinned crystals show an unusual, concaved-cuboctahedron morphology, with uniform particle sizes of 0.5-2 {micro}m. On the basis of a range of synthetic and analytical experiments, including solid-state NMR, X-ray powder diffraction analysis and HRTEM, we propose that these twinned crystals form via selective dissolution and an ion-exchange reaction accompanied by oxidation of a parent crystal of CoO, a material with cubic symmetry. This template crystal serves to nucleate the growth of four LiCoO{sub 2} twin crystals and to convert a highly anisotropic, layered material into a pseudo-3-dimensional, isotropic material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The new TORPEX in-vessel toroidal conductor for the generation of a poloidal magnetic field

TORoidal Plasma EXperiment (TORPEX) is a Simple Magnetized Torus featuring open helical magnetic field lines obtained from the superposition of a small vertical component on the main toroidal field. This work introduces the experimental setup developed to include a poloidal magnetic field. The toroidal and poloidal fields generate a rotational transform, making the magnetic geometry of TORPEX closer to that of a tokamak. This upgrade opens the possibility to deal with closed and open flux surfaces, as well as with the transition region across the last closed flux surface. The main technical solutions are discussed together with the physical considerations at the basis of the system design. Selected examples of the magnetic configurations accessible with the set of magnetic field coils available on TORPEX are discussed, ranging from single-null X-points to magnetic snowflakes. The simplest magnetic configuration of quasi-circular concentric flux surfaces is tested experimentally. Measurements of the two-dimensional electron plasma density profiles and the particle confinement time are presented, together with the first steps towards the understanding of plasma production mechanisms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Strain profiles in ion implanted ceramic polycrystals: An approach based on reciprocal-space crystal selection

The determination of the state of strain in implanted materials is a key issue in the study of their mechanical stability. Whereas this question is nowadays relatively easily solved in the case of single crystals, it remains a challenging task in the case of polycrystalline materials. In this paper, we take benefit of the intense and parallel beams provided by third generation synchrotron sources combined with a two-dimensional detection system to analyze individual grains in polycrystals, hence obtaining “single crystal-like” data. The feasibility of the approach is demonstrated with implanted UO{sub 2} polycrystals where the in-depth strain profile is extracted for individual grains using numerical simulations of the diffracted signal. The influence of the implantation dose is precisely analyzed for several diffracting planes and grains. This work suggests that, at low fluences, the development of strain is mainly due to ballistic effects with little effect from He ions, independently from the crystallographic orientation. At higher fluences, the evolution of the strain profiles suggests a partial and anisotropic plastic relaxation. With the present approach, robust and reliable structural information can be obtained, even from complex polycrystalline ceramic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The impact of dust evolution and photoevaporation on disk dispersal

Protoplanetary disks are dispersed by viscous evolution and photoevaporation in a few million years; in the interim small, sub-micron-sized dust grains must grow and form planets. The time-varying abundance of small grains in an evolving disk directly affects gas heating by far-ultraviolet (FUV) photons, while dust evolution affects photoevaporation by changing the disk opacity and resulting penetration of FUV photons in the disk. Photoevaporative flows, in turn, selectively carry small dust grains, leaving the larger particles—which decouple, from the gas—behind in the disk. We study these effects by investigating the evolution of a disk subject to viscosity, photoevaporation by EUV, FUV, and X-rays, dust evolution, and radial drift using a one-dimensional (1D) multi-fluid approach (gas + different dust grain sizes) to solve for the evolving surface density distributions. The 1D evolution is augmented by 1+1D models constructed at each epoch to obtain the instantaneous disk structure and determine photoevaporation rates. The implementation of a dust coagulation/fragmentation model results in a marginal decrease in disk lifetimes when compared to models with no dust evolution; the disk lifetime is thus found to be relatively insensitive to the evolving dust opacity. We find that photoevaporation can cause significant reductions in the gas/dust mass ratio in the planet-forming regions of the disk as it evolves, and may result in a corresponding increase in heavy element abundances relative to hydrogen. We discuss implications for theories of planetesimal formation and giant planet formation, including the formation of gas-poor giants. After gas disk dispersal, ∼3×10{sup −4} M {sub ⊙} of mass in solids typically remain, comparable to the solids inventory of our solar system.

79 ASTRONOMY AND ASTROPHYSICS↗

Block Magnetic Excitations in the Orbitally Selective Mott Insulator BaFe 2 Se 3

Iron pnictides and selenides display a variety of unusual magnetic phases originating from the interplay between electronic, orbital, and lattice degrees of freedom. Using powder inelastic neutron scattering on the two-leg ladder $BaFe_2Se_3$, we fully characterize the static and dynamic spin correlations associated with the Fe 4 block state, an exotic magnetic ground state observed in this low-dimensional magnet and in Rb 0.89 Fe 1.58 Se 2 . All the magnetic excitations of the Fe 4 block state predicted by an effective Heisenberg model with localized spins are observed below 300 meV and quantitatively reproduced. However, the data only account for 16(3)$μ^2_B$ per Fe 2+ , approximatively 2/3 of the total spectral weight expected for localized S=2 moments. Our results highlight how orbital degrees of freedom in iron-based magnets can conspire to stabilize an exotic magnetic state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Via judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.

97 MATHEMATICS AND COMPUTING↗

Sci—Thur AM: YIS - 08: Constructing an Attenuation map for a PET/MR Breast coil

In 2013, around 23000 Canadian women and 200 Canadian men were diagnosed with breast cancer. An estimated 5100 women and 55 men died from the disease. Using the sensitivity of MRI with the selectivity of PET, PET/MRI combines anatomical and functional information within the same scan and could help with early detection in high-risk patients. MRI requires radiofrequency coils for transmitting energy and receiving signal but the breast coil attenuates PET signal. To correct for this PET attenuation, a 3-dimensional map of linear attenuation coefficients (μ-map) of the breast coil must be created and incorporated into the PET reconstruction process. Several approaches have been proposed for building hardware μ-maps, some of which include the use of conventional kVCT and Dual energy CT. These methods can produce high resolution images based on the electron densities of materials that can be converted into μ-maps. However, imaging hardware containing metal components with photons in the kV range is susceptible to metal artifacts. These artifacts can compromise the accuracy of the resulting μ-map and PET reconstruction; therefore high-Z components should be removed. We propose a method for calculating μ-maps without removing coil components, based on megavoltage (MV) imaging with a linear accelerator that has been detuned for imaging at 1.0MeV. Containers of known geometry with F18 were placed in the breast coil for imaging. A comparison between reconstructions based on the different μ-map construction methods was made. PET reconstructions with our method show a maximum of 6% difference over the existing kVCT-based reconstructions.

60 APPLIED LIFE SCIENCES↗

Quantum Transport in 2D Semiconductors

Leveraging progress in synthesis of ultra-pure transition metal dichalcogenide (TMD) crystals, our team has made key breakthroughs in the study of quantum states in two-dimensional (2D) TMD semiconductors. Using a capacitance spectroscopy technique, we have observed the first signatures of fractional quantum Hall states in monolayer WSe 2 and clear signatures of interlayer exciton condensates in bilayer WSe 2 . In a transport study of bilayer WSe 2 , we report observation of spin-selective magneto-conductivity in WSe 2 . To improve electrical transport studies, we have focused on metal-TMD contacts by studying the behavior of metal-TMD contacts in the clean limit, and developing a new contact doping technique that achieves Ohmic contact down to low temperature and low carrier density. Using this new technique, we study electrical transport in monolayer WSe 2 down to low temperature and low carrier density, finding record-high hole mobility and evidence of a metal-insulator transition at low density. Under high magnetic fields, we observe clear signatures of fractional quantum Hall effect in transport for the first time in a TMD.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

LENS: Learning Enabled Network Synthesis

RTRC and UMD have developed novel machine learning based methods under the ARPA-E DIFFERENTIATE program for rapid acceleration of hypothesis generation in complex architecture design spaces involving both discrete choices of component inclusion and interconnection and continuous parametric decisions. The project named Learning Enabled Network Synthesis (LENS) further demonstrated the developed methods on challenging electrical power converter design problems by identifying the most suitable circuit topologies and simultaneously selecting the most appropriate components to achieve optimized design of power converter with improved performances. We demonstrated that LENS could enable exploration of very large design space of circuit topologies and components by addressing the limitations of conventional design process in non-linear, high switching speed, multi-dimensional power converter design and optimization. The key innovation developed in LENS is the seamless integration of statistical learning and logical reasoning techniques and building on the individual strengths of these techniques for rapid hypothesis discovery. The main component of LENS comprises of: 1) Graph Reasoning Engine (GRE) to enforce composition rules that rapidly reject all discrete architectures that are composed incorrectly and generates an adaptive database of feasible designs which can be used by ML modules, 2) Graph Generative Learning module which is a deep neural network based generative model for graph architectures which can enable design space exploration beyond the dataset generated by the GRE, 3) Graph Reduced Order Model (ROM) for graph domains for accelerating computation of output metrics, and 4) Active learning and Rule Discovery module for sample efficient learning and extracting logical rules from the learned ML models which will be integrated in the GRE to enhance the filtering effectiveness. LENS approach can be applied to any design domains where designs can be represented as multi-attribute graphs. The LENS team integrated the various technical innovations listed above into an optimization pipeline and exercised the optimization pipeline on the converter design problem. The LENS project demonstrated that the developed AI/ML technologies can be used to generate novel converter circuits >45x faster than experts on chosen use-cases. This can enable faster design space exploration and identification of new designs which are not considered by experts due to the increasing design space complexity. This has significant potential impact on the public and energy needs of the country. It is currently estimated that 30% of all electrical powers generated passes through power converters. The future estimate is that 80% of all power generated would be passing through converters. LENS fills a critical gap in this space since by accelerating the design process the designers would be able to generate more efficient converters which can lead to significant energy savings for the country.

42 ENGINEERING↗

Projection system for display of parallax and perspective

A projection system for the display of parallax and perspective of a real image from a hologram is presented. A reference beam was projected in a sequence of several projections at selected angles of perspective through the hologram, this sequence being rapidly performed. The resulting angular spaced images emitting from the hologram were directed onto a mirror which was coordinately tilted to reflect all of the resulting images to register onto a screen where they appeared as a single three dimensional image.

Kurtz, R. L.↗

MHOST version 4.2. Volume 1: Users' manual

This manual describes the user options available for running the MHOST finite element analysis package. MHOST is a solid and structural analysis program based on mixed finite element technology, and is specifically designed for three-dimensional inelastic analysis. A family of two- and three-dimensional continuum elements along with beam and shell structural elements can be utilized. Many options are available in the constitutive equation library, the solution algorithms and the analysis capabilities. An overview of the algorithms, a general description of the input data formats, and a discussion of input data for selecting solution algorithms are given.

Nakazawa, Shohei↗

Windshear Database for Forward-Looking Systems Certification

This document contains a description of a comprehensive database that is to be used for certification testing of airborne forward-look windshear detection systems. The database was developed by NASA Langley Research Center, at the request of the Federal Aviation Administration (FAA), to support the industry initiative to certify and produce forward-look windshear detection equipment. The database contains high resolution, three dimensional fields for meteorological variables that may be sensed by forward-looking systems. The database is made up of seven case studies which have been generated by the Terminal Area Simulation System, a state-of-the-art numerical system for the realistic modeling of windshear phenomena. The selected cases represent a wide spectrum of windshear events. General descriptions and figures from each of the case studies are included, as well as equations for F-factor, radar-reflectivity factor, and rainfall rate. The document also describes scenarios and paths through the data sets, jointly developed by NASA and the FAA, to meet FAA certification testing objectives. Instructions for reading and verifying the data from tape are included.

Switzer, G. F.↗

Design of Unstructured Adaptive (UA) NAS Parallel Benchmark Featuring Irregular, Dynamic Memory Accesses

We describe the design of a new method for the measurement of the performance of modern computer systems when solving scientific problems featuring irregular, dynamic memory accesses. The method involves the solution of a stylized heat transfer problem on an unstructured, adaptive grid. A Spectral Element Method (SEM) with an adaptive, nonconforming mesh is selected to discretize the transport equation. The relatively high order of the SEM lowers the fraction of wall clock time spent on inter-processor communication, which eases the load balancing task and allows us to concentrate on the memory accesses. The benchmark is designed to be three-dimensional. Parallelization and load balance issues of a reference implementation will be described in detail in future reports.

Feng, Hui-Yu↗

TESS Eclipsing Binary Stars. I. Short-cadence Observations of 4584 Eclipsing Binaries in Sectors 1–26

In this paper we present a catalog of 4584 eclipsing binaries observed during the first two years (26 sectors) of the TESS survey. We discuss selection criteria for eclipsing binary candidates, detection of hitherto unknown eclipsing systems, determination of the ephemerides, the validation and triage process, and the derivation of heuristic estimates for the ephemerides. Instead of keeping to the widely used discrete classes, we propose a binary star morphology classification based on a dimensionality reduction algorithm. Finally, we present statistical properties of the sample, we qualitatively estimate completeness, and we discuss the results. The work presented here is organized and performed within the TESS Eclipsing Binary Working Group, an open group of professional and citizen scientists; we conclude by describing ongoing work and future goals for the group. The catalog is available from http://tessEBs.villanova.edu and from MAST.

Andrej Prša↗

Enhancement of piezoelectric constants induced by cation-substitution and two-dimensional strain effects on ZnO predicted by density functional perturbation theory

Using density functional perturbation theory, we investigated the effect of various substitutional dopant elements and in-plane strain on the piezoelectric properties of ZnO. The piezoelectric stress constant e{sub 33} of doped ZnO was found to depend on the formal charge of the substitutional dopant. By decomposing the piezoelectric stress constant e{sub 33} into the individual atomic contributions, the change in the piezoelectric properties was found to originate from a change in the coupling between the atomic displacement and the strain. Furthermore, we found that in-plane tensile strain along the a axis, which is specific to the thin film, can enhance the piezoelectric constant of ZnO. A phase transition from wurtzite to h-BN-type structure was found to occur with increasing in-plane tensile. The piezoelectric strain constant d{sub 33} was predicted to reach ∼200 pC/N for 2.78 at. % V-substituted ZnO at 5.5% in-plane strain, just before the phase transition. These theoretical results suggest that the piezoelectric constant of ZnO can be enhanced by controlling the in-plane strain via selection of the substrate material and dopant element.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Self-selecting vapor growth of transition-metal-halide single crystals

Transition-metal halides can host a large variety of novel phenomena, such as magnetism in the monolayer limit, quantum spin liquid and spiral spin liquid states, topological magnons, and chiral phonons. Sizable high-quality single crystals are necessary for investigations of magnetic and lattice excitations by, for example, inelastic neutron scattering. In this paper, we review a less well-known vapor transport technique, self-selecting vapor growth, and report our growths of transition-metal halides using this technique. We report the growth and characterizations of sizable single crystals of α–RuCl 3 , CrCl 3 , Ru 1–x Cr x Cl 3 , and CrBr 3 . In order to expedite the conversion of starting powder to single crystals, we modified the technique by cooling the growth ampoule through an appropriate temperature range. Our work shows that the self-selecting vapor transport technique can provide large single crystals of transition-metal halides, demonstrating its potential for providing high-quality single crystals of quantum materials.

2-dimensional systems↗

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