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At least 19 records

Understanding and Manipulating Helical Nanofilaments in Binary Systems with Achiral Dopants

Here, in this paper, we report the relationship between helical pitch of the helical nanofilament (HNF) phase formed by bent-core molecule NOBOW and the concentration of achiral dopants 5CB and octane, using linearly polarized resonant soft X-ray scattering (RSoXS). Utilizing theory-based simulation, which fits well with the experiments, the molecular helices in the filament were probed and the superstructure of helical 5CB directed by groove of HNFs was observed. Quantitative pitch determination with RSoXS reveals that helical pitch variation is related to 5CB concentration with no temperature dependence. Doping rodlike immiscible 5CB led to a pitch shortening of up to 30%, which was attributed to a change in interfacial tension. By shedding light not only on phase behavior of binary systems but also enabling control over pitch length, our work may benefit various applications of HNF-containing binary systems, including optical rotation devices, circularly polarized light emitters, and chirality transfer agents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Subtle Molecular Changes Largely Modulate Chiral Helical Assemblies of Achiral Conjugated Polymers by Tuning Solution-State Aggregation

Understanding the solution-state aggregate structure and the consequent hierarchical assembly of conjugated polymers is crucial for controlling multiscale morphologies during solid thin-film deposition and the resultant electronic properties. However, it remains challenging to comprehend detailed solution aggregate structures of conjugated polymers, let alone their chiral assembly due to the complex aggregation behavior. Herein, we present solution-state aggregate structures and their impact on hierarchical chiral helical assembly using an achiral diketopyrrolopyrrole-quaterthiophene (DPP-T4) copolymer and its two close structural analogues wherein the bithiophene is functionalized with methyl groups (DPP-T2M2) or fluorine atoms (DPP-T2F2). Combining in-depth small-angle X-ray scattering analysis with various microscopic solution imaging techniques, we find distinct aggregate in each DPP solution: (i) semicrystalline 1D fiber aggregates of DPP-T2F2 with a strongly bound internal structure, (ii) semicrystalline 1D fiber aggregates of DPP-T2M2 with a weakly bound internal structure, and (iii) highly crystalline 2D sheet aggregates of DPP-T4. These nanoscopic aggregates develop into lyotropic chiral helical liquid crystal (LC) mesophases at high solution concentrations. Intriguingly, the dimensionality of solution aggregates largely modulates hierarchical chiral helical pitches across nanoscopic to micrometer scales, with the more rigid 2D sheet aggregate of DPP-T4 creating much larger pitch length than the more flexible 1D fiber aggregates. Combining relatively small helical pitch with long-range order, the striped twist-bent mesophase of DPP-T2F2 composed of highly ordered, more rigid 1D fiber aggregate exhibits an anisotropic dissymmetry factor (g-factor) as high as 0.09. This study can be a prominent addition to our knowledge on a solution-state hierarchical assembly of conjugated polymers and, in particular, chiral helical assembly of achiral organic semiconductors that can catalyze an emerging field of chiral (opto)electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The interplay between spatial and heliconical orientational order in twist-bend nematic materials

The helical pitch formed by organic molecules, such as the α-helix of proteins, usually requires hydrogen bonding between chiral units and long-range positional order. It was recently found that certain liquid crystal oligomers can have a twist-bend nematic (NTB) phase with nanoscale heliconical structure without hydrogen bonding, molecular chirality or positional order. To understand the nature of this unique structure, here we present hard and resonant tender X-ray scattering studies of two novel sulfur containing dimer materials. We simultaneously measure the temperature dependences of the helical pitch and the correlation length of both the helical and positional order. In addition to an unexpected strong variation of the pitch with the length of the spacer connecting the monomer units, we find that at the transition to the NTB phase the positional correlation length drops. Additionally, the helical structure was found not only in the NTB phase but observed even in the upper range of a smectic phase that forms just below the NTB state. The coexistence of smectic layering and the heliconical order indicates a layered (SmATB) phase wherein the rigid units of the dimers are tilted with respect to the smectic layer normal in order to accommodate the bent conformation of the dimers and the tilt direction rotates along the heliconical axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deciphering helix assembly in the heliconical nematic phase via tender resonant X-ray scattering

Being a link between a uniaxial nematic and a chiral nematic, the twist bend nematic (N TB ) has been an intriguing topic for research over the last decade as a key to understanding chirality generation. Accurate description and understanding of resonance effects in helical structures provide crucial knowledge on the phase behavior beyond positional ordering. We examined the manifestation of resonance effects in N TB via tender resonant X-ray scattering (TReXS) at the sulfur K-edge. For the first time we demonstrate quantitatively that the energy dependence of the scattering peak in the N TB phase follows the energy dependence of the complex refractive indices measured by X-ray absorption. Furthermore, taking advantage of molecular energy calculation, we decipher the distinct helical pitch variation trend for symmetric/asymmetric dimers from the perspective of hybridization and reveal the strong effect of substituting oxygen for sulfur atoms on the helical pitch and the thermal helix extension.

36 MATERIALS SCIENCE↗

Hall instability driven seeding of helical magneto-Rayleigh–Taylor instabilities in axially premagnetized thin-foil liner Z-pinch implosions

Helical magneto-Rayleigh–Taylor instability (MRTI) structures have been observed in z-pinch-driven liner implosion experiments with a pre-imposed axial magnetic field. We show that the formation of these helical structures can be described by a Hall magnetohydrodynamical (HMHD) model. We used the 3D extended magnetohydrodynamics simulation code PERSEUS (which includes Hall physics) [Seyler and Martin, Phys. Plasmas 18, 012703 (2011)] to study these helical instabilities and show that a Hall interchange instability in low-density coronal plasma immediately surrounding the dense liner is responsible for producing helically oriented effects in the magnetic field and current density within the coronal layer. Here, this seeds the helical pitch angle of the MRTI even when other proposed helical seeding mechanisms are either not present in the experiments or not accounted for in the simulations. For example, this mechanism does not require low-density power-feed plasmas to be swept in from large radius or the development of electrothermal instabilities. The Hall Instability is, thus, a new, independent explanation for the origin of the helical instabilities observed in axially premagnetized liner experiments. Simulation results supporting this mechanism are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Shear-Sensitive Liquid Crystal Coating Method: Surface-Inclination Effects on Shear Vector Measurements

The shear-sensitive liquid crystal coating (SSLCC) method is an image-based technique for both visualizing dynamic surface-flow phenomena, such as transition and separation, and for measuring the continuous shear-stress vector distribution acting on an aerodynamic surface. Under proper lighting and viewing conditions (discussed below), the coating changes color in response to an applied aerodynamic shear. This color-change response is continuous and reversible, with a response time of milliseconds, and is a function of both the shear magnitude and the shear vector orientation relative to the observer. The liquid crystal phase of matter is a weakly-ordered, viscous, non-Newtonian fluid state that exists between the nonuniform liquid phase and the ordered solid phase of certain organic compounds. Cholesteric liquid crystal compounds possess a helical molecular arrangement that selectively scatters white light, incident along the helical axis, as a three-dimensional spectrum. This property is linked to the helical pitch length, which is within the range of wavelengths in the visible spectrum. The pitch length, and hence the wavelength of the scattered light, is influenced by shear stress normal to the helical axis. This unique optical property produces a measurable color change in response to an applied shearing force. The full-surface shear stress vector measurement method, developed at NASA-Ames, is schematically illustrated. As with the visualization method, the coated test surface is illuminated from the normal direction with white light and the camera is positioned at an above-plane view angle of approximately 30 deg. Experiments have been initiated at NASA Ames to begin the process of quantifying surface-inclination (surface-curvature) effects on shear vector measurement accuracy. In preliminary experiments, surface-inclination angles theta(sub x), theta(sub y) of 0, +/-5, +/-10, and +/-15 deg were employed. In this arrangement, white-light illumination was positioned normal to the untilted test surface, and the camera above-plane view angle was set at 30 deg relative to the untilted test surface. As can be seen, vector-aligned lambda(sub d) values showed no dependence on theta(sub x) or theta(sub y) for absolute values of these tilt angles is less than or equal to 15 deg. Acquisition and analyses of full-surface color images are presently underway to definitively document the insensitivity limits of the shear vector measurement methodology to surface-slope variations.

Reda, Daniel C.↗

A DNA packaging motor inchworms along one strand allowing it to adapt to alternative double-helical structures

Abstract Ring ATPases that translocate disordered polymers possess lock-washer architectures that they impose on their substrates during transport via a hand-over-hand mechanism. Here, we investigate the operation of ring motors that transport ordered, helical substrates, such as the bacteriophage ϕ29 dsDNA packaging motor. This pentameric motor alternates between an ATP loading dwell and a hydrolysis burst wherein it packages one turn of DNA in four steps. When challenged with DNA-RNA hybrids and dsRNA, the motor matches its burst to the shorter helical pitches, keeping three power strokes invariant while shortening the fourth. Intermittently, the motor loses grip on the RNA-containing substrates, indicating that it makes optimal load-bearing contacts with dsDNA. To rationalize these observations, we propose a helical inchworm translocation mechanism in which, during each cycle, the motor increasingly adopts a lock-washer structure during the ATP loading dwell and successively regains its planar form with each power stroke during the burst.

59 BASIC BIOLOGICAL SCIENCES↗

Elucidating the Mechanical Energy for Cyclization of a DNA Origami Tile

DNA origami has emerged as a versatile method to synthesize nanostructures with high precision. This bottom-up self-assembly approach can produce not only complex static architectures, but also dynamic reconfigurable structures with tunable properties. While DNA origami has been explored increasingly for diverse applications, such as biomedical and biophysical tools, related mechanics are also under active investigation. Here we studied the structural properties of DNA origami and investigated the energy needed to deform the DNA structures. We used a single-layer rectangular DNA origami tile as a model system and studied its cyclization process. This origami tile was designed with an inherent twist by placing crossovers every 16 base-pairs (bp), corresponding to a helical pitch of 10.67 bp/turn, which is slightly different from that of native B-form DNA (~10.5 bp/turn). We used molecular dynamics (MD) simulations based on a coarse-grained model on an open-source computational platform, oxDNA. We calculated the energies needed to overcome the initial curvature and induce mechanical deformation by applying linear spring forces. We found that the initial curvature may be overcome gradually during cyclization and a total of ~33.1 kcal/mol is required to complete the deformation. These results provide insights into the DNA origami mechanics and should be useful for diverse applications such as adaptive reconfiguration and energy absorption.

59 BASIC BIOLOGICAL SCIENCES↗

Physics‐based iterative reconstruction for dual‐source and flying focal spot computed tomography

Purpose For single‐source helical Computed Tomography (CT), both Filtered‐Back Projection (FBP) and statistical iterative reconstruction have been investigated. However, for dual‐source CT with flying focal spot (DS‐FFS CT), a statistical iterative reconstruction that accurately models the scanner geometry and acquisition physics remains unknown to researchers. Therefore, our purpose is to present a novel physics‐based iterative reconstruction method for DS‐FFS CT and assess its image quality. Methods Our algorithm uses precise physics models to reconstruct from the native cone‐beam geometry and interleaved dual‐source helical trajectory of a DS‐FFS CT. To do so, we construct a noise physics model to represent data acquisition noise and a prior image model to represent image noise and texture. In addition, we design forward system models to compute the locations of deflected focal spots, the dimension, and sensitivity of voxels and detector units, as well as the length of intersection between x‐rays and voxels. The forward system models further represent the coordinated movement between the dual sources by computing their x‐ray coverage gaps and overlaps at an arbitrary helical pitch. With the above models, we reconstruct images by an advanced Consensus Equilibrium (CE) numerical method to compute the maximum a posteriori estimate to a joint optimization problem that simultaneously fits all models. Results We compared our reconstruction with Siemens ADMIRE, which is the clinical standard hybrid iterative reconstruction (IR) method for DS‐FFS CT, in terms of spatial resolution, noise profile, and image artifacts through both phantoms and clinical scan datasets. Experiments show that our reconstruction has a higher spatial resolution, with a Task‐Based Modulation Transfer Function (MTF task ) consistently higher than the clinical standard hybrid IR. In addition, our reconstruction shows a reduced magnitude of image undersampling artifacts than the clinical standard. Conclusions By modeling a precise geometry and avoiding data rebinning or interpolation, our physics‐based reconstruction achieves a higher spatial resolution and fewer image artifacts with smaller magnitude than the clinical standard hybrid IR.

Wang, Xiao↗

Full Length Assembly Testing in PELICAN (Final Report)

In support of the development of the U.S. Department of Energy (DOE) Versatile Test Reactor (VTR), a thermal hydraulics test facility was constructed to generate experimental measurement of the pressure drop across a single full-scale assembly containing prototypic axial reflectors, fuel, and plena components. Constructed and operated at Argonne National Laboratory, the Pressure drop Experimental Loop for Investigations of Core Assemblies in Nuclear reactors (PELICAN) facility was designed to achieve hydraulic conditions identical to those anticipated for a full-scale fuel assembly located in the VTR core in the region with the highest flow rate. Using water as surrogate for liquid sodium, the flow loop was operated at elevated temperatures and pressures to match the thermophysical properties of liquid sodium and ensure matching Reynolds and Euler numbers. The measurement objectives for data generated from this test facility was driven primarily by the validation needs for code calculations and simulations of the reference VTR core. These objectives focused on the need to validate pressure drop results across the various segments of the fuel assembly as they relate directly to the pumping power and safety of the reactor. Presented in this report are experimental results and analytical comparisons based on testing of a full-length assembly in PELICAN. Housed within a hexagonal test section extending 3.4 m in length, the tested assembly features a prototypic lower reflector, grid plates, wire-wrapped rod bundle, upper reflector, and exit region. The rod bundle extends over 1.5 m in length and contains 217 individual wire-wrapped rods with dimensions that best reflect the reference VTR design. The as-tested bundle assembly was fabricated using 316 stainless steel 0.25-inch (6.35-mm) diameter rods wrapped with 0.04-inch (1.016-mm) diameter wire at a helical pitch of 10.51 inch (26.6 cm). Details of the method for in-house wire-wrapping, assembly, and installation are provided later in this report. Experimental measurements of pressure drop at 19 positions along the test assembly were recorded for a range of flow conditions, with special attention paid to key locations within the assembly, including component inlet and outlet, transition, and wire-wrapped rod bundle regions. Testing conditions were based on 110°C water with flow rates ranging from 50 to 450 GPM (3 to 27 kg/s) at the inlet of the test assembly generating Reynolds numbers and velocities up to ~8.0×10 4 and ~7.8 m/s, respectively, within the rod bundle region. Non-dimensional values for the friction factor were then calculated based on these experimental measurements and compared against those predicted by various analytical correlations available from open literature. Predictions by the upgraded Cheng and Todreas, Rehme, and Novendstern correlations fell within 4% to those values measured experimentally.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Traveling-Wave Tube Amplifier Model to Predict High-Order Modulation Intersymbol Interference

Demands for increased data rates in satellite communications necessitate higher order modulation schemes, larger system bandwidth, and minimum distortion of the modulated signal as it is passed through the traveling wave tube amplifier (TWTA). One type of distortion that the TWTA contributes to is intersymbol interference (ISI), and this becomes particularly disruptive with wide-band, complex modulation schemes. It is suspected that in addition to the dispersion of the TWT, frequency dependent reflections due to mismatches within the TWT are a significant contributor to ISI. To experimentally investigate the effect of these mismatches within the physical TWT on ISI would be prohibitively expensive, as it would require manufacturing numerous amplifiers in addition to the acquisition of the required digital hardware. In an attempt to develop a more accurate model to correlate IS1 with the TWTA and the operational signal, a fully three-dimensional (3D), time-dependent, TWT interaction model has been developed using the electromagnetic particle-in-cell (PIC) code MAFIA (solution of Maxwell's equations by the Finite-Integration-Algorithm). The model includes a user defined slow-wave circuit with a spatially tapered region of loss to implement a sever, and spatially varied geometry (such as helical pitch) to implement a phase velocity taper. The model also includes user defined input/output coupling and an electron beam contained by solenoidal, electrostatic, or periodic permanent magnet (PPM) focusing allowing standard or novel TWTs to be investigated. This model comprehensively takes into account the effects of frequency dependent nonlinear distortions (MAM and AMPM); gain ripple due to frequency dependent reflections at the input/output coupling, severs, and mismatches from dynamic pitch variations; drive induced oscillations; harmonic generation; intermodulation products; and backward waves.

Kory, Carol L.↗

A helical actuator driven by biased SMA: design, model, and experiment

A helical actuator driven by biased shape memory alloy (SMA) patterns embedded into a soft composite ribbon base is presented in this work. Instead of common U-shape SMA wires, a single SMA wire is woven into planar patterns, which enable helical deformation of the composite ribbon from an initially flat geometry. An analytical static model is established for accurate and rapid prediction of the helical reconfiguration arising from the shape memory effect of woven SMA patterns, followed by validation of the static model using the finite element method (FEM). The finite element results are compared with the analytical solutions given by this static model, which show a high agreement. Parametric study of the influences of eight independent design variables on the dependent helical parameters, such as combined curvatures, pitches, and helical angles, is completed. It is found that the helically deformed geometry is mainly dominated by diameters, biased positions, inclined angles, and numbers of skewed segments of the SMA wire. Fabrication and in-situ experimental test of a prototype of such helical actuators qualitatively demonstrate its dramatic three-dimensional (3D) spiral reconfiguration from a two-dimensional (2D) flat ribbon. In conclusion, such SMA patterns will allow more diverse designs of soft actuators for a wider range of robotic applications.

36 MATERIALS SCIENCE↗

3D Relativistic Magnetohydrodynamic Simulations of Current-Driven Instability: Instability of a Static Column - 1

We have investigated the development of current-driven (CD) kink instability through three-dimensional relativistic MHD simulations. A static force-free equilibrium helical magnetic configuration is considered in order to study the influence of the initial configuration on the linear and nonlinear evolution of the instability. We found that the initial configuration is strongly distorted but not disrupted by the kink instability. The instability develops as predicted by linear theory. In the non-linear regime the kink amplitude continues to increase up to the terminal simulation time, albeit at different rates, for all but one simulation. The growth rate and nonlinear evolution of the CD kink instability depends moderately on the density profile and strongly on the magnetic pitch profile. The growth rate of the kink mode is reduced in the linear regime by an increase in the magnetic pitch with radius and the non-linear regime is reached at a later time than for constant helical pitch. On the other hand, the growth rate of the kink mode is increased in the linear regime by a decrease in the magnetic pitch with radius and reaches the non-linear regime sooner than the case with constant magnetic pitch. Kink amplitude growth in the non-linear regime for decreasing magnetic pitch leads to a slender helically twisted column wrapped by magnetic field. On the other hand, kink amplitude growth in the non-linear regime nearly ceases for increasing magnetic pitch.

Mizuno, Yosuke↗

High-temperature superconducting CORC ® wires with record-breaking axial tensile strain tolerance present a breakthrough for high-field magnets

Cuprate high-temperature superconductors (HTS), such as RE-Ba 2 Cu 3 O 7–δ (REBCO, RE = rare earth), (Bi,Pb) 2 Sr 2 Ca 2 Cu 3 O 10–x and Bi 2 Sr 2 CaCu 2 O 8–x , have enabled the development of high-field superconducting magnets capable of generating magnetic fields far exceeding 20 T. The brittle nature of HTS requires elaborate means to protect them against the high stresses and strains associated with high-field magnet operation, and so far, has prevented reliable high-field HTS magnets from becoming a reality. Here we report a more than tenfold increase in the irreversible strain limit under axial tension (epsilonirr) to over 7% in optimized high-current conductor on round core (CORC®) conductors, compared to the REBCO tapes from which the CORC® conductor is wound. Minimizing the tape winding pitch of the helical wind mechanically decouples the brittle REBCO film from the overall conductor. The REBCO tapes behave as springs, limiting the rate at which applied strain is transferred to the ceramic film. In addition, high-strength alloy cores allow the critical stress (ϵ crit ) under axial tension at which initial degradation of CORC® conductors occurs to exceed 600 MPa, making them one of the strongest superconductors available. Mechanically decoupling the ceramic REBCO films from the overall CORC® conductor allows effective protection against the high operating stresses in high-field magnets. Furthermore, this breakthrough presents a monumental shift for HTS magnet technology, bringing reliable high-field superconducting magnets for compact fusion machines, the next generation of particle accelerators, and 40–60 T research solenoids within reach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The role of magnetic helicity in cosmic ray transport theory

The pitch angle scattering of cosmic ray is modified greatly if the medium through which they propagate contains significant amounts of magnetic helicity. When helicity is present in the medium, the often used expression for the pitch angle diffusion coefficient derived from quasilinear theory must be modified. These modifications are illustrated for slab and isotropic symmetries. Using measurements of helicity in the solar wind determined from single point measurements of the correlation tensor of magnetic fluctuations obtained from Voyager 2, the effects of the observed helicity on both the pitch angle and spatial diffusion coefficients are estimated.

Goldstein, M. L.↗

Technical Characteristics of a Novel Helical-Groove Traveling-Wave Tube Structure

Experimental measurements of the dispersion characteristics of a C-band helix structure were carried out and compared to the dispersion characteristics found from a helix model using the three-dimensional electromagnetic computer code MAFIA. A conceptually novel design comprising a helical thread of the same pitch and inner diameter in a cylindrical waveguide also were calculated using the MAFIA code. The helical-groove structure exhibits a smaller bandwidth but at a much higher frequency range than the traditional helical structure for similar physical dimensions. It is physically more robust in construction. The interaction impedance also compares favorably with those of the conventional structure.

Wallett, Thomas M.↗

Formation and Shape Changing of Conductive Helical Ribbons via Deposition of Highly Stressed Films on Mechanically Responsive Substrates

Abstract This work demonstrates that the electrodeposition of highly stressed films on compliant ribbons is a robust process to obtain helical structures with excellent mechanical stability and potentially high thermal and electrical conductance. Electrodeposition on end‐tethered ribbons alters their axial and bending stiffness while imparting mechanical stress to drive the formation of a helix with a microscale diameter and pitch in a controlled and scalable manner. The process generates helices with diameters and pitches between 80 and 200 µm and lengths as large as several millimeters. The approach is amenable to parallel processing a large number of 3D structures on any substrate, including large‐area semiconductor wafers. This phenomenon is explained in terms of the change of stress gradients as material is added. Applications of the fabricated helices include antennas, metamaterials, and slow‐wave structures in frequency ranges not previously attainable.

Chemistry↗