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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assembly of short amphiphilic peptoids into nanohelices with controllable supramolecular chirality

Abstract A long-standing challenge in bioinspired materials is to design and synthesize synthetic materials that mimic the sophisticated structures and functions of natural biomaterials, such as helical protein assemblies that are important in biological systems. Herein, we report the formation of a series of nanohelices from a type of well-developed protein-mimetics called peptoids. We demonstrate that nanohelix structures and supramolecular chirality can be well-controlled through the side-chain chemistry. Specifically, the ionic effects on peptoids from varying the polar side-chain groups result in the formation of either single helical fiber or hierarchically stacked helical bundles. We also demonstrate that the supramolecular chirality of assembled peptoid helices can be controlled by modifying assembling peptoids with a single chiral amino acid side chain. Computational simulations and theoretical modeling predict that minimizing exposure of hydrophobic domains within a twisted helical form presents the most thermodynamically favorable packing of these amphiphilic peptoids and suggests a key role for both polar and hydrophobic domains on nanohelix formation. Our findings establish a platform to design and synthesize chiral functional materials using sequence-defined synthetic polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Directed self-assembly of chiral liquid crystals into biomimetic bouligand structures in thin film

The Bouligand structure, renowned for its helicoidal arrangement and enhanced mechanical properties, has attracted significant research interest for its ability to impart enhanced strength to intrinsically soft materials. Biomimetic approaches have centered on fibrous structures in bulk materials, but translating this architecture into thin-film regime for miniaturized-wearable devices with programmable functions remains challenging. Here, we direct the self-assembly of cholesteric liquid crystals (CLCs) into hierarchical helical structures using chemically patterned surfaces. Alternating surface anchoring regions align uniform lying-down helices at the nanoscale, guiding a secondary microscale helical structure exhibiting both left- and right-handed twists. This mimetic Bouligand structure in CLCs enables optical modulation under applied field and strain with enhanced mechanical response. Simulations reveal the structural evolution from initial Bouligand configuration in LC layers to alternating twist helices. This research provides a basis for designing and manufacturing miniaturized or wearable devices with nanometer-scale precision in regulating electro-optical and mechanical properties. Bouligand structures, which offer strength in natural materials, are of interest but difficult to obtain. Here, the authors report the development of such structures by directed self-assembly of cholesteric single crystals into hierarchical helical structures, with the secondary structure having right and left-handed twists.

Bouligand structure↗
DOE OSTI2023

Magnetic field evolution and reconnection in low resistivity plasmas

The mathematics and physics of each of the three aspects of magnetic field evolution—topology, energy, and helicity—are remarkably simple and clear. When the resistivity η is small compared to an imposed evolution, a/v , timescale, which means $R$ m ≡ μ 0 va/η $\gg$ 1, magnetic field-line chaos dominates the evolution of field-line topology in three-dimensional systems. Chaos has no direct role in the dissipation of energy. A large current density, j η ≡ vB/η, is required for energy dissipation to be on a comparable timescale to the topological evolution. Nevertheless, chaos plus Alfvén wave damping explain why both timescales tend to be approximately an order of magnitude longer than the evolution timescale a/v. Magnetic helicity is injected onto tubes of field lines when boundary flows have vorticity. Chaos can spread but not destroy magnetic helicity. Resistivity has a negligible effect on helicity accumulation when $R$ m $\gg$ 1. Helicity accumulates within a tube of field lines until the tube erupts and moves far from its original location.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Chiral microwave nonreciprocity demonstrated via Rayleigh and Sezawa modes supported in an Al 0.58 ⁢Sc 0.42 ⁢N/4⁢H–Si⁢C platform

Chirality plays a crucial role in the helicity mismatch between surface acoustic waves and magnetic spin waves, leading to nonreciprocal transmission of acoustic power for coupled magnetoacoustic modes. Acoustic modes with both longitudinal and shear strain exhibit elliptical particle displacements, making them chiral, and different acoustic modes can exhibit different helicities of this elliptical particle displacement. Here, we study chiral acoustic modes with different helicities supported on the same piezoelectric platform and their interaction with magnetic spin waves. Our study demonstrates that the nonreciprocal transmission of acoustic power is driven by the helicity mismatch effect and, specifically, that the handedness of the nonreciprocity is based on whether the surface acoustic wave has retrograde (Rayleigh mode) or prograde (Sezawa mode) elliptical particle displacement with respect to the propagation direction. We found the transmission nonreciprocity to be significant, with 7.3 dB/mm for the retrograde particle displacement (Rayleigh mode at 2.358 GHz) and 3.3 dB/mm for prograde particle displacement (Sezawa mode at 3.112 GHz). Furthermore, this work highlights that piezoelectric platforms can be engineered to support acoustic modes with opposite helicities to enable frequency-selective nonreciprocal radiofrequency and microwave components, such as isolators and circulators, through coupled acoustic spin wave interactions.

42 ENGINEERING↗
DOE OSTI2022

Origin of circular dichroism in resonant elastic x-ray scattering from magnetic and polar chiral structures

Circular dichroism in resonant elastic x-ray scattering (CD-REXS) has recently been observed in chiral structures composed of multiferroic materials as well as magnetic moments or electric polarization vectors. In order to comprehensively understand the experimental results of these previous studies, we present here in detail the analytical formulation of CD-REXS for one-dimensional helices composed of magnetic moments and electric polarization vectors, respectively. In particular, by comparing CD-REXS for a proper-screw-shaped Bloch-type helix and cycloid-shaped Néel-type helix, we found that CD-REXS for both magnetic and polar helices can discriminate between both types of helices. We also found that the x-ray polarization factor depending on the scattering geometry is a significant factor in determining the characteristics of CD-REXS for chiral structures. The results obtained from the detailed formulas can be intuitively understood using the concept of mirror reflection. In particular, in this way it can be understood that Bloch- and Néel-type helices correspond to truly chiral and achiral structures, respectively, and why CD-REXS is able to distinguish between these two types of helices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

OpenDSS-wrapper (Distribution System Co-simulator with Distributed Energy Resource Controls)

Electric grid transformation with the proliferation of distributed energy resources (DER), such as solar photovoltaic (PV), wind, advanced energy storage technologies, and electric vehicles, and the growing use of communication technologies in both transmission and distribution systems are increasing the need to capture the interactions among these systems. Advanced modeling, control, and simulation tools that can perform co-simulation of electric power systems with other domains become indispensable to accurately model these interactions. To address this need, we have developed a codebase that integrates an electric power distribution system simulator, DER models, and DER controls. The codebase is based on OpenDSS, a distribution system simulator, and an existing open source co-simulation framework called HELICS. The contribution and uniqueness of the proposed codebase is that it tailors the generic HELICS framework specifically for distribution grid-related applications. The codebase includes an OpenDSS wrapper that controls the simulation, implements advanced DER controls, and extracts power flows, voltages, and other power system element information from the the distribution network modeled in OpenDSS. Sample HELICS federates, including a federate for OpenDSS, are provided that can communicate messages through the HELICS interface. Sample federates can be modified and additional HELICS federates can be added by the user depending on their use case requirements. SEE ALSO: https://github.com/NREL/dss-cosim

Blonsky, Michael↗
DOE OSTI2021

Proton Spin Structure from Simultaneous Monte Carlo Global QCD Analysis

Despite the great effort and achievements made towards understanding proton spin structure in the past few decades, a complete picture is still elusive. Parton distribution functions (PDFs), which in quantum chromodynamics (QCD) encode the momentum and helicity distributions of quarks and gluons inside a proton, provide the means by which to quantify the proton structure information. Being inherently nonperturbative, PDFs have to be extracted from unpolarized and polarized lepton-hadron and hadron-hadron scattering data. In particular, experiments that measure unpolarized and polarized jet observables can provide insight into the momentum and helicity distributions of gluons, which have generally been more difficult to determine reliably than those of quarks. In the past, extraction of the spin-averaged and spin-dependent (or helicity) PDFs has been performed in separate analyses. In this thesis, we perform the first simultaneous extraction of both types of quantities from deep-inelastic scattering (DIS), Drell-Yan and single jet observables, within the Monte Carlo global QCD analysis framework developed by the Jefferson Lab Angular Momentum (JAM) Collaboration. The results from this work indicate that the gluon helicity distributions depend rather strongly on the theory assumptions on which the global analysis is based, which calls for the need of measurements with higher precision. As an application of the new simultaneous JAM analysis, we perform an impact study for future Electron-Ion Collider (EIC) data with parity-conserving and parity-violating polarization asymmetries on quark and gluon helicity distributions in the proton. The extrapolation of structure functions from the current data is studied for the first time in the context of the impact study. Theory assumptions, such as SU(2) and SU(3) flavor symmetries, are also studied to give a more thorough understanding of the impact of EIC pseudodata on proton spin structure.

Zhou, Yiyu↗
DOE OSTI2022

The Rule of Thirds: Controlling Junction Chirality and Polarity in 3D DNA Tiles

The successful self-assembly of tensegrity triangle DNA crystals heralded the ability to programmably construct macroscopic crystalline nanomaterials from rationally-designed, nanoscale components. This 3D DNA tile owes its “tensegrity” nature to its three rotationally-stacked double helices locked together by the tensile winding of a center strand segmented into 7 base pair (bp) inter-junction regions, corresponding to two thirds of a helical turn of DNA. All reported tensegrity triangles to date have employed [Z + 2/3] turn inter-junction segments, yielding right-handed, antiparallel, “J1” junctions. Here, we report here a minimal DNA triangle motif consisting of 3-bp inter-junction segments, or one third of a helical turn. Here, we find that the minimal motif exhibits a reversed morphology with a left-handed tertiary structure mediated by a locally-parallel Holliday junction—the L1 junction. This parallel junction yields a predicted helical groove matching pattern that breaks the pseudosymmetry between tile faces, and the junction morphology further suggests a folding mechanism. We identify a Rule of Thirds by which supramolecular chirality can be programmed through inter-junction DNA segment length. These results underscore the role that global topological forces play in determining local DNA architecture and ultimately point to an under-explored class of self-assembling, chiral nanomaterials for topological processes in biological systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Observation of gauge boson joint-polarisation states in W ± Z production from pp collisions at s = 13 TeV with the ATLAS detector

Measurements of joint-polarisation states of W and Z gauge bosons in W ± Z production are presented. The data set used corresponds to an integrated luminosity of 139 fb -1 of proton–proton collisions at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. The W ± Z candidate events are reconstructed using leptonic decay modes of the gauge bosons into electrons and muons. The simultaneous pair-production of longitudinally polarised vector bosons is measured for the first time with a significance of 7.1 standard deviations. The measured joint helicity fractions integrated over the fiducial region are $f$ 00 = 0.067 ± 0.010, $f$ 0T = 0.110 ± 0.029, $f$ T0 = 0.179 ± 0.023 and $f$ TT = 0.644 ± 0.032, in agreement with the next-to-leading-order Standard Model predictions. Individual helicity fractions of the W and Z bosons are also measured and found to be consistent with joint helicity fractions within the expected amounts of correlation. Both the joint and individual helicity fractions are also measured separately in W + Z and W - Z events. Inclusive and differential cross sections for several kinematic observables sensitive to polarisation are presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Multilayer DNA Origami with Terminal Interfaces That Are Flat and Wide-Area

DNA origami is a popular nanofabrication strategy that employs self-assembly of a long single scaffold strand, typically less than 10 kilobases in length, with hundreds of shorter staple strands into a desired shape. In particular, origami arranged as a single-layer rectangle has proven popular as flat pegboards that can display functionalities at staple-strand breakpoints, off the sides of the constituent double helices, with a ~5.3 nm rhombic-lattice spacing. For applications that demand tighter spacing, functionalities can be displayed instead on the termini of helices of multilayer DNA origami. However, pegboards with the greatest addressable surface area are often found to be the most versatile. Given the practical limitations of the length of the scaffold that can be easily realized, designs that minimize the length of each helix would have advantages for maximizing the number of helices and therefore the number of addressable pixels on each terminal surface. Here we present an architecture for multilayer DNA origami displaying flush terminal interfaces from over 200 helices that each are only 5.3 turns in length. As a result, we characterize an example using cryo-EM imaging paired with single-particle analysis for further analysis of the global structure.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Three-State Electrochiroptical Switches Derived from Chiral Stable Carbenes

Chiral redox switches have been used to develop stimuli-responsive materials and organic electronics wherein small molecule chirality produces new functionality. Despite the widespread use of stable carbenes in redox-active materials and asymmetric synthesis, their integration into chiral redox switches remains largely unexplored. Herein, we show that chiral stable carbenes can be used to construct helically chiral overcrowded alkenes which function as three-state electrochiroptical switches. Redox-driven (de)aromatization triggers the reversible exchange of helical and axial chirality via a helically chiral π-radical cation. Due to dramatic changes in both electronic and geometric structure, including the inversion of helical chirality, each state exhibits distinct chiroptical properties. As a proof of concept, we demonstrate multiple cycles of electrochemical ON–OFF switching and sign inversion of the electronic circular dichroism response. Overall, this work establishes chiral stable carbenes as promising building blocks for chiral and redox-switchable materials.

Chirality↗
DOE OSTI2021

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↗
DOE OSTI2021

Chiral propulsion: The method of effective boundary conditions

We propose to apply an “effective boundary condition” method to the problem of chiral propulsion. For the case of a rotating helix moving through a fluid at a low Reynolds number, the method amounts to replacing the original helix (in the limit of small pitch) by a cylinder, but with a special kind of partial slip boundary conditions replacing the non-slip boundary conditions on the original helix. These boundary conditions are constructed to reproduce far-field velocities of the original problem and are defined by a few parameters (slipping lengths) that can be extracted from a problem in planar rather than cylindrical geometry. We derive the chiral propulsion coefficients for spirals, helicoids, helically modulated cylinders and some of their generalizations using the introduced method. In the case of spirals, we compare our results with the ones derived by Lighthill and find a very good agreement. Here, the proposed method is general and can be applied to any helical shape in the limit of a small pitch. Furthermore, we have established that for a broad class of helical surfaces the dependence of the chiral propulsion on the helical angle θ is universal, x ~ cos θ sin 2θ with the maximal propulsion achieved at the universal angle θ m = tan –1 (1/√2) ≈ 35.26°.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Isotope effects on transport in LHD

Abstract Isotope effects are one of the most important issues for predicting future reactor operations. Large helical device (LHD) is the presently working largest stellarator/helical device using super conducting helical coils. In LHD, deuterium experiments started in 2017. Extensive studies regarding isotope effects on transport have been carried out. In this paper, the results of isotope effect studies in LHD are reported. The systematic studies were performed adjusting operational parameters and nondimensional parameters. In L mode like normal confinement plasma, where internal and edge transport barriers are not formed, the scaling of global energy confinement time ( τ E ) with operational parameters shows positive mass dependence ( M 0.27 ; where M is effective ion mass) in electron cyclotron heating plasma and no mass dependence ( M 0.0 ) in neutral beam injection heating plasma. The non-negative ion mass dependence is anti-gyro-Bohm scaling. The role of the turbulence in isotope effects was also found by turbulence measurements and gyrokinetic simulation. Better accessibility to electron and ion internal transport barrier (ITB) plasma is found in deuterium (D) plasma than in hydrogen (H). Gyro kinetic non-linear simulation shows reduced ion heat flux due to the larger generation of zonal flow in deuterium plasma. Peaked carbon density profile plays a prominent role in reducing ion energy transport in ITB plasma. This is evident only in plasma with deuterium ions. New findings on the mixing and non-mixing states of D and H particle transports are reported. In the mixing state, ion particle diffusivities are higher than electron particle diffusivities and D and H ion density profiles are almost identical. In the non-mixing state, ion particle diffusivity is much lower than electron diffusivity. Deuterium and hydrogen ion profiles are clearly different. Different turbulence structures were found in the mixing and non-mixing states suggesting different turbulence modes play a role.

Physics↗
DOE OSTI2021

Global gyrokinetic simulation with kinetic electron for collisionless damping of zonal flow in stellarators

Global gyrokinetic simulations with kinetic electrons for collisionless damping of zonal flows in LHD and W7-X stellarators show that the helical components of the equilibrium magnetic field responsible for helically trapped particles have significant impacts on zonal flow. Kinetic electrons reduce zonal flow residue and increase the frequency of low frequency oscillation (LFO). Here, the LFO is induced by dominant helical harmonics of magnetic field strength. Furthermore, linear toroidal coupling of multiple toroidal n-harmonics barely affects the zonal flows, but can generate long wavelength toroidal harmonics with the same toroidal number as the helical magnetic field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Instantons in chiral magnets

In this work, we exhaustively construct instanton solutions and elucidate their properties in one-dimensional antiferromagnetic chiral magnets based on the $\textit{O}(3)$ nonlinear sigma model description of spin chains with the Dzyaloshinskii-Moriya (DM) interaction. By introducing an easy-axis potential and a staggered magnetic field, we obtain a phase diagram consisting of ground-state phases with two points (or one point) in the easy-axis dominant cases, a helical modulation at a fixed latitude of the sphere, and a tricritical point allowing helical modulations at an arbitrary latitude. We find that instantons (or skyrmions in two-dimensional Euclidean space) appear as composite solitons in different fashions in these phases: temporal domain walls or wall-antiwall pairs (bions) in the easy-axis dominant cases, dislocations (or phase slips called merons) with fractional instanton numbers in the helical state, and isolated instantons and calorons living on the top of the helical modulation at the tricritical point. We also show that the models with DM interaction and an easy-plane potential can be mapped into those without them, providing a useful tool to investigate the model with the DM interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetic order and fluctuations in the quasi-two-dimensional planar magnet Sr( Co 1-x Ni x ) 2 As 2

We use neutron scattering to investigate spin excitations in Sr ( Co 1 - x Ni x ) 2 As 2 , which has a c -axis incommensurate helical structure of the two-dimensional (2D) in-plane ferromagnetic (FM) ordered layers for 0.013 ≤ x ≤ 0.25 . By comparing the wave vector and energy dependent spin excitations in helical ordered Sr ( Co 0.9 Ni 0.1 ) 2 As 2 and paramagnetic SrCo 2 As 2 , we find that Ni doping, while increasing lattice disorder in Sr ( Co 1 - x Ni x ) 2 As 2 , enhances quasi-2D FM spin fluctuations. However, our band structure calculations within the combined density functional theory and dynamic mean field theory ( DFT + DMFT ) failed to generate a correct incommensurate wave vector for the observed helical order from nested Fermi surfaces. Furthermore, since transport measurements reveal increased in-plane and c -axis electrical resistivity with increasing Ni doping and associated lattice disorder, we conclude that the helical magnetic order in Sr ( Co 1 - x Ni x ) 2 As 2 may arise from a quantum order-by-disorder mechanism through the itinerant electron mediated Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗