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At least 19 records

Probing topological relations between high-density and low-density regions of 2MASS with hexagon cells

We introduced a new two-dimensional (2D) hexagon technique for probing the topological structure of the universe in which we mapped regions of the sky with high and low galaxy densities onto a 2D lattice of hexagonal unit cells. We defined filled cells as corresponding to high-density regions and empty cells as corresponding to low-density regions. The numbers of filled cells and empty cells were kept the same by controlling the size of the cells. By analyzing the six sides of each hexagon, we could obtain and compare the statistical topological properties of high-density and low-density regions of the universe in order to have a better understanding of the evolution of the universe. We applied this hexagonal method to Two Micron All Sky Survey data and discovered significant topological differences between the high-density and low-density regions. Both regions had significant (>5σ) topological shifts from both the binomial distribution and the random distribution.

79 ASTRONOMY AND ASTROPHYSICS↗

MOOSE Framework Meshing Enhancements to Support Reactor Analysis

MOOSE-based physics codes require an input finite element mesh on which the physics solution is calculated, reported, and transferred to other physics codes. The use of difficult-touse, external licensed software is often required to generate high quality meshes for reactor geometries. High-fidelity geometry modeling also requires elaborate tracking of groups of elements for material property assignment and output reporting which can be considerably complex for the user to identify and maintain. Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, several meshingrelated enhancements have been developed for the MOOSE framework to address user challenges in creating finite element meshes for advanced reactor geometries. MOOSE mesh generators have been developed to mesh hexagonal geometries (pins, ducted assemblies, and cores) commonly found in liquid-metal cooled fast reactor concepts. The mesh generator used for hexagonal pin cells is generic for regular polygons and therefore may also be used for Cartesian pin cells. Hexagonal pin cells can be stitched into ducted assemblies, and assemblies can be stitched together into a core. The user may specify region ids, region names, and other preferences on the mesh. This control is useful for later material mapping in the MOOSE-based physics codes input. A capability was also developed for meshing rotating control drums including determination of material volume fractions in each mesh element as a function of time. Control drum meshes may be stitched to other hexagonal assemblies to create a core configuration. Additional mesh generators were developed that wrap around the hexagonal meshing capabilities and utilize “extra element integer” ID values on each element. In regular Cartesian or hexagonal assemblies or cores, the bookkeeping of element groups for both material assignment and output reporting can now be automated through assignment of pin, assembly, core, axial and depletion id values stored as extra element integers. The extra element tags on the mesh greatly speed the reactor analyst’s efforts to map materials to meshes, track depletion zones, and parse output such as axial pin power distributions. At the highest level, pin, assembly, and core mesh generators (with this reactor terminology) have also been developed to easily generate regular Cartesian and hexagonal cores, including axial extrusion. These reactor geometry builders call upon the previously mentioned capabilities to produce analysis-ready 3D meshes including material assignments. Open source mesh triangulation capabilities were also investigated for integration into the MOOSE framework to address the need for meshing the core periphery region which extends from the irregular outer assembly border to a cylindrical boundary. Options are limited due to licensing constraints, and the recommendation is pursue building a native MOOSE Delaunay triangulator routine with full functionality. Finally, a series of verification problems were performed with NEAMS physics tools. All developed capabilities will be available in the new open-source “Reactor” module of the MOOSE framework, which is accessible to any MOOSE-based NEAMS physics tool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ensuring reliable connectivity to cellular-connected UAVs with up-tilted antennas and interference coordination

To integrate unmanned aerial vehicles (UAVs) in future large-scale deployments, a new wireless communication paradigm, namely, the cellular-connected UAV has recently attracted interest. However, the line-of-sight dominant air-to-ground channels along with the antenna pattern of the cellular ground base stations (GBSs) introduce critical interference issues in cellular-connected UAV communications. In particular, the complex antenna pattern and the ground reflection (GR) from the down-tilted antennas create both coverage holes and patchy coverage for the UAVs in the sky, which leads to unreliable connectivity from the underlying cellular network. To overcome these challenges, in this paper, we propose a new cellular architecture that employs an extra set of co-channel antennas oriented towards the sky to support UAVs on top of the existing down-tilted antennas for ground user equipment (GUE). To model the GR stemming from the down-tilted antennas, we propose a path-loss model, which takes both antenna radiation pattern and configuration into account. Next, we formulate an optimization problem to maximize the minimum signal-to-interference ratio (SIR) of the UAVs by tuning the up-tilt (UT) angles of the up-tilted antennas. Since this is an NP-hard problem, we propose a genetic algorithm (GA) based heuristic method to optimize the UT angles of these antennas. After obtaining the optimal UT angles, we integrate the 3GPP Release-10 specified enhanced inter-cell interference coordination (eICIC) to reduce the interference stemming from the down-tilted antennas. Our simulation results based on the hexagonal cell layout show that the proposed interference mitigation method can ensure higher minimum SIRs for the UAVs over baseline methods while creating minimal impact on the SIR of GUEs.

3GPP↗

Single-crystal equations of state of magnesiowüstite at high pressures

Solid solutions of (Mg,Fe)O with high iron enrichment may be an important component of ultralow-velocity zones at Earth’s core-mantle boundary. However, to date there have been few high-precision studies on the elastic properties of these materials. In this study we present results on the compression of (Mg 0.22 Fe 0.78 )O magnesiowüstite in both neon and helium pressure media using single-crystal diffraction to ~55 GPa. In addition, our sample was characterized by time-domain synchrotron Mössbauer spectroscopy at ambient pressure using an extended time range that resulted in vastly improved energy resolution. The combination of these high-resolution techniques tightly constrains the presence of a defect-structure component at room pressure due to 4.7 mol% tetrahedrally-coordinated ferric iron, resulting in a renormalized composition of (Mg 0.215 Fe 0.762 ⟂ 0.023 )O. Both high-pressure diffraction datasets are well described by a 3rd-order Birch-Murnaghan equation of state. The best fit-parameters for a crystal with cubic structure in helium are K 0T = 148(3) GPa, K' 0T = 4.09(12), and V 0 = 78.87(6) Å 3 . Increasing differential stress in the neon-containing sample chamber was correlated with increasing apparent distortion of the initially cubic unit cell, requiring a lower-symmetry hexagonal cell to fit the data above ~20 GPa. For fit equations of state, we determine the pressure-dependent correlation ellipses for the equation of state parameters and compare with previously published single-crystal diffraction data from (Mg,Fe)O crystals in a helium medium. We make two main observations from the datasets using a helium pressure medium: K 0T decreases as a function of increasing iron content from periclase to wüstite and K' 0T is consistent with an approximately constant value of 4.0 that is independent of iron content, at least up to (Mg,Fe)O containing ~78 mol% FeO. Finally, in combination with previously reported thermal parameters, we compute the density of Mw78 at core-mantle boundary conditions and discuss the implications.

58 GEOSCIENCES↗

Novel mixed hydroxy-carbonate precursor assisted synthetic technique for LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} cathode materials

Highlights: • MHC method used to overcome drawbacks of solid state synthesized materials. • Least cation mixing, phase purity, good reversibility and rate capability achieved. • XRD I {sub 0} {sub 0} {sub 3}/I{sub 1} {sub 0} {sub 4} factor, indicating electrochemical reactivity is maximum at 1.6984. • Li/LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} cell delivered an initial discharge capacity of 175 mAh g{sup −1}. - Abstract: Novel mixed hydroxy-carbonate (MHC) precursors were used to synthesis technique of LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} cathode material. The powder X-ray diffraction (XRD) pattern of the synthesized LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} cathode materials exhibited a hexagonal cell with a = 2.8535 Å and c = 14.2040 Å. Fourier transform infrared spectroscopy (FT-IR) spectrum of MHC and LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} consistent with vibration modes of functional group. Presence of sub-micrometer particle size (200 nm) and highly crystalline morphology confirmed using scanning electron microscopy (SEM). X-ray photoelectron spectroscopy (XPS) suggested that oxidation state of the transition metals; Ni in +2, Mn in +4 and Co in +3 states, respectively in LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} cathode materials. Cyclic voltammograms (CV) revealed only one major redox couple at 4 V and suggested the absence of structural transitions from hexagonal to monoclinic structure. The Li vs. LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} cell delivered an initial discharge capacity of 175 mAh g{sup −1} in the voltage range 2.5–4.6 V @ 0.1 C.

36 MATERIALS SCIENCE↗

A Vertex-Aligned Model for Packing 4-Hexagonal Clusters in a Regular Hexagonal Container

This paper deals with a problem the packing polyhex clusters in a regular hexagonal container. It is a common problem in many applications with various cluster shapes used, but symmetric polyhex is the most useful in engineering due to its geometrical properties. Hence, we concentrate on mathematical modeling in such an application, where using the “bee” tetrahex is chosen for the new Compact Muon Solenoid (CMS) design upgrade, which is one of four detectors used in Large Hadron Collider (LHC) experiment at European Laboratory for Particle Physics (CERN). We start from the existing hexagonal containers with hexagonal cells packed inside, and uniform clustering applied. We compare the center-aligned (CA) and vertex-aligned (VA) models, analyzing cluster rotations providing the increased packing efficiency. We formally describe the geometrical properties of clustering approaches and show that cluster sharing is inevitable at the container border with uniform clustering. In addition, we propose a new vertex-aligned model decreasing the number of shared clusters in the uniform scenario, but with a smaller number of clusters contained inside the container. Also, we describe a non-uniform tetrahex cluster packing scheme in the proposed container model. With the proposed cluster packing solution, it is accomplished that all clusters are contained inside the container region. Since cluster-sharing is completely avoided at the container border, the maximal packing efficiency is obtained compared to the existing models.

97 MATHEMATICS AND COMPUTING↗

Tailorable Multi–Modular Pore–Space–Partitioned Vanadium Metal–Organic Frameworks for Gas Separation

Currently, few porous vanadium metal-organic frameworks (V-MOFs) are known and even fewer are obtainable as single crystals, resulting in limited information on their structures and properties. Here this work demonstrates remarkable promise of V-MOFs by presenting an extensible family of V-MOFs with tailorable pore geometry and properties. The synthesis leverages inter-modular synergy on a tri-modular pore-partitioned platform. New V-MOFs show a broad range of structural features and sorption properties suitable for gas storage and separation applications for C 2 H 2 /CO 2 , C 2 H 6 /C 2 H 4 , and C 3 H 8 /C 3 H 6 . The c/a ratio of the hexagonal cell, a measure of pore shape, is tunable from 0.612 to 1.258. Other tunable properties include pore size from 5.0 to 10.9 Å and surface area from 820 to 2964 m 2 g –1 . With C 2 H 2 /CO 2 selectivity from 3.3 to 11 and high uptake capacity for C 2 H 2 from 65.2 to 182 cm 3 g –1 (298K, 1 bar), an efficient separation is confirmed by breakthrough experiments. The near-record high uptake for C 2 H 6 (166.8 cm 3 g –1 ) contributes to the promise for C 2 H 6 -selective separation of C 2 H 6 /C 2 H 4 . The multi-module pore expansion enables transition from C 3 H 6 -selective to more desirable C 3 H 8 -selective separation with extraordinarily high C 3 H 8 uptake (254.9 cm 3 g –1 ) and high separation potential (1.25 mmol g –1 ) for C 3 H 8 /C 3 H 6 (50:50 v/v) mixture.

36 MATERIALS SCIENCE↗

Operation and performance of microhexcavity pixel detector in gas discharge and avalanche mode

The Microhexcavity Panel (μHex) is a novel gaseous micropattern particle detector comprised of a dense array of close-packed hexagonal pixels, each operating as an independent detection unit for ionizing radiation. It is a second generation detector derived from plasma panel detectors and microcavity detectors. The μHex is under development to be deployed as a scalable, fast timing (ns) and hermetically sealed gaseous tracking detector with high rate (> 100KHz / cm 2 ) capability. The devices reported here were fabricated as 16 × 16 pixel arrays of 2 mm edge-to-edge, 1 mm deep hexagonal cells embedded in a thin, 1.4 mm glass–ceramic wafer. Cell walls are metalized cathodes, connected to high voltage bus lines through conductive vias. Anodes are small, 457 μm diameter metal discs screen printed on the upper substrate. The detectors are filled with an operating gas to near 1 atm and then closed with a shut-off valve. They have been operated in both avalanche mode and gas discharge devices, producing mV to volt level signals with about 1 to 3 ns rise times. Operation in discharge mode is enabled by high impedance quench resistors on the high voltage bus at each pixel site. Results indicate that each individual pixel behaves as an isolated detection unit with high single pixel intrinsic efficiency to both βs from radioactive sources and to cosmic ray muons. Finally, continuous avalanche mode operation over several days at hit rates over 300 KHz / cm 2 with no gas flow have been observed. Measurements of pixel isolation, timing response, efficiency, hit rate and rate stability are reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The CLAS12 drift chamber system

The CEBAF Large Acceptance Spectrometer at 12~GeV (CLAS12) is located in Hall~B, one of the experimental halls at Jefferson Lab. The forward part of CLAS12 is built around a superconducting toroidal magnet. The six coils of the toroid divide the detector azimuthally into six sectors. Each sector contains three multi-layer drift chambers for reconstructing the trajectories of charged particles originating from a fixed target. Each of the 18 planar chambers has two ``superlayers'' of six layers each, with the wires in the two adjacent superlayers oriented at ± 6° stereo angles. Each layer has 112 hexagonal cells spanning a range from about 5° to 40° in polar angle. The six-layer structure provides redundancy in track segment finding and good tracking efficiency even in the presence of some individual wire inefficiency. The design, construction, operation, and calibration methods are described, and estimates of the efficiency and resolution are presented from in-beam measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Leveraging staggered tessellation for enhanced spatial resolution in high-granularity calorimeters

Here we advance the concept of high-granularity calorimeters with staggered tessellations, underscoring the effectiveness of a design incorporating multifold staggering cycles based on hexagonal cells to enhance position resolution. Moreover, we introduce HEXPLIT, a sub-cell re-weighting algorithm tailored to harness staggered designs, resulting in additional performance improvements. By combining our proposed staggered design with HEXPLIT, we achieve an approximately twofold enhancement in position resolution for neutrons across a wide energy range, as compared to unstaggered designs. These findings hold the potential to elevate particle-flow performance across various forthcoming facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Investigation on collisions of filament pairs in dielectric barrier discharge

Collisions of filament pairs in a hexagonal superlattice pattern in dielectric barrier discharge are investigated on different timescales. In the evolution of the pattern, the space scale of each hexagon cell decreases with the increasing voltage. The duration of one collision is seven half voltage cycles at least. Two stable orientations of a pair are approximately perpendicular to each other and the orientational changes occurring during the entire colliding process should be a multiple of 30°. The time interval between two consecutive collisions decreases with the increasing voltage. The distance between the paired spots decreases nonmonotonically. Based on the discharge order of the pattern, it is inferred that the collision should be the interaction between a discharging filament and the surface charges deposited by another discharged filament, and the nonmonotonic decrease of distance D is explained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Coupled antiferromagnetic spin- 1 2 chains in green dioptase Cu 6 [ Si 6 O 18 ] · 6 H 2 O

In this paper, we report inelastic neutron scattering measurements of the magnetic excitations of green dioptase Cu 6 [Si 6 O 18 ]∙6H 2 O. The observed spectrum contains two magnetic modes and a prominent spin gap that is consistent with the ordered ground state of Cu moments coupled antiferromagnetically in spiral chains along the c axis and ferromagnetically in ab planes on the hexagonal cell. The data are in excellent agreement with a spin- 1 2 Hamiltonian that includes antiferromagnetic nearest-neighbor intrachain coupling J c =10.6(1) meV, ferromagnetic interchain coupling J ab =₋1.2 (1) meV, and exchange anisotropy ΔJ c =0.14(1) meV. We calculated the sublattice magnetization to be strongly reduced, ~0.39μ B . This appears compatible with a reduced Néel temperature, T N =14.5K< c , and can be explained by a presence of quantum spin fluctuations

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Wavelength selective filtering with non-radial array of microstructure elements

A non-radial array of microstructure elements provides enhanced wavelength selective filtering. The elements are arranged along a line that does not intersect the center of the core. In this configuration, the first coupling element in an array that is nearest to the core is a non-integer array unit spacing from the main waveguide where the array unit spacing is defined as the flat to flat distance of a hexagonal cell.

Kiani, Leily S.↗

On domain symmetry and its use in homogenization

The present study focuses on solving partial differential equations in domains exhibiting symmetries and periodic boundary conditions for the purpose of homogenization. We show in a systematic manner how the symmetry can be exploited to significantly reduce the complexity of the problem and the computational burden. This is especially relevant in inverse problems, when one needs to solve the partial differential equation (the primal problem) many times in an optimization algorithm. The main motivation of our study is inverse homogenization used to design architected composite materials with novel properties which are being fabricated at ever increasing rates thanks to recent advances in additive manufacturing. For example, one may optimize the morphology of a two-phase composite unit cell to achieve isotropic homogenized properties with maximal bulk modulus and minimal Poisson ratio. Typically, the isotropy is enforced by applying constraints to the optimization problem. However, in two dimensions, one can alternatively optimize the morphology of an equilateral triangle and then rotate and reflect the triangle to form a space filling D 3 symmetric hexagonal unit cell that necessarily exhibits isotropic homogenized properties. One can further use this D 3 symmetry to reduce the computational expense by performing the “unit strain” periodic boundary condition simulations on the single triangle symmetry sector rather than the six fold larger hexagon. In this paper we use group representation theory to derive the necessary periodic boundary conditions on the symmetry sectors of unit cells. The developments are done in a general setting, and specialized to the two-dimensional dihedral symmetries of the abelian D 2 , i.e. orthotropic, square unit cell and nonabelian D 3 , i.e. trigonal, hexagon unit cell. We then demonstrate how this theory can be applied by evaluating the homogenized properties of a two-phase planar composite over the triangle symmetry sector of a D 3 symmetric hexagonal unit cell.

36 MATERIALS SCIENCE↗

Relaxation behavior of oxygen deficient strontium manganite

Conduction behavior of nanocrystalline oxygen deficient ceramic-SrMnO{sub 3–δ}(δ∼0.14) has been studied. The structural analysis of nano-SrMnO{sub 2.86} follows hexagonal unit cell structure with P6{sub 3}/mmc (194) space group belonging to 6/mmm point group with 4H – layered type hexagonal-cubic layers. The system have lattice parameters; a = 5.437(92) Å, c = 9.072(92) Å, c/a∼1.66 (85) with α =90° γ= 120° and cell volume, V= 232.35(18). The relaxation times estimated from complex impedance and modulus relaxation spectrum, show the thermally activated system with corresponding activation energies as 0.66 eV and 0.51 eV The stretching factor ‘β’ from the scaled modulus spectrum shows the poly-dispersive non-Debye nature of the system. The hopping number ‘n’ shows the influence of ionic charge carriers which controls the conduction mechanism of nano-SrMnO{sub 2.86}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Correlated insulating phases of twisted bilayer graphene at commensurate filling fractions: A Hartree-Fock study

Motivated by the recently observed insulating states in twisted bilayer graphene, we study the nature of the correlated insulating phases of the twisted bilayer graphene at commensurate filling fractions. Iin this work, we use the continuum model and project the Coulomb interaction onto the flat bands to study the ground states by using a Hartree-Fock approximation. In the absence of the hexagonal boron nitride substrate, the ground states are the intervalley coherence states at charge neutrality (filling $\textit{ν}$ = 0 , or four electrons per moiré cell) and at $\textit{ν}$ = –1/4 and –1/2 (three and two electrons per cell, respectively) and the $C_2\mathcal{T}$ symmetry-broken state at $\textit{ν}$ = –3/4 (one electron per cell). The hexagonal boron nitride substrate drives the ground states at all $\textit{ν}$ into $C_2\mathcal{T}$ symmetry broken-states. Our results provide good reference points for further study of the rich correlated physics in the twisted bilayer graphene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure, Stability, and Electronic Properties of Boron Suboxide: A Density Functional Theory Study

Boron suboxide (B 6 O) is a boron-rich compound derived from the α-rhombohedral boron lattice with extreme hardness and unusual semiconducting properties. In this work, density functional theory (DFT) was used to show that unit cell volume, mechanical strength, band gaps, and thermodynamic stabilities of B 6 O were influenced by the interstitial elements and point defects at the icosahedral sites. While the hexagonal unit cell volume (HUCV) varies with interstitial occupancy, it is the icosahedral defect that weakens the intrinsic bulk modulus of B 6 O. Using the hybrid HSE functional, we confirmed that the perfect B 6 O bulk is a p-type semiconductor with a direct band gap of 2.8 eV. Furthermore, by screening α-boron compounds systematically, we found that a simple octet rule may offer a consistent explanation for the variations in the computed electronic structures. The formation free energies calculated over a wide range of temperatures (0–2500 K) and pressures (0–80 GPa) predict that formations of interstitial defects become favorable only at higher temperatures (ca. 1800 K) in bulk B 6 O lattices. The nudged elastic band (NEB) method was employed to identify the minimum energy pathways for the diffusions of dislocated B and O atoms. The diffusion of icosahedral B atoms has an energy barrier of 0.16 eV. More complex B diffusion paths involving the reorganization of icosahedral boron atoms incur higher barriers (>1 eV). In contrast, the diffusion of interstitial O atoms is facile with a barrier of 0.4 eV. Lastly, successive O insertions into the α-B lattice were performed using DFT to generate a basic understanding of the oxidation process. Furthermore, these calculations provide fundamental atomistic insights into the growth of B 6 O crystals and control of their point defects.

36 MATERIALS SCIENCE↗