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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Magnetic Materials: Chiral Spin Textures in Amorphous Iron–Germanium Thick Films (Adv. Mater. 8/2021)

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii–Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe–Ge thick films. These results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. In conclusion, disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

THz Plasmonics and Topological Optics of Weyl Semimetals

THz magneto-optical properties of 3D topological Weyl semimetals were investigated with both THz spectroscopy and THz pump-probe measurements. The unique THz effects predicted in these materials may have important applications in THz technology. The electronic band structure was characterized spectroscopically through THz zero-field reflectance and/or cyclotron resonance measurements. The studies included the dynamic chiral pumping and the study of the predicted novel magneto-electric effects arising from the underlying Berry curvature and magneto plasmonic-like effects in the absence of an applied magnetic field. Chiral pumping in the extreme quantum limit was studied on Weyl semimetals to directly probe the chiral N=0 Landau level. Non-linear pump-probe measurements were used to measure the chiral pumping lifetime. Solids with topologically robust electronic states exhibit unusual electronic and optical transport properties that do not exist in other materials. A particularly interesting example is chiral charge pumping, the so-called chiral anomaly, in recently discovered topological Weyl and Dirac semimetals, where simultaneous application of parallel DC electric and magnetic fields creates an imbalance in the number of carriers of opposite topological charge (chirality). In an earlier study we investigated the Weyl metals Na 3 Bi and Cd 3 As 2 . In this grant we followed up with magneto-optical studies of TaAs, another Weyl semimetal. More recently, we have also characterized other Weyl and Dirac systems that have come on line. The Physics community is still looking for the “hydrogen atom” of the Weyl semimetal. CoSi is one promising new system which features Weyl node spacing comparable to the Brillouin zone size. This system may be suitable for study of the predicted chiral plasmons that arise from the Berry curvature in Weyl materials. In other experiments gates can be applied to the samples in order to study the Fermi arc surface states by modulation reflectance spectroscopy at THz frequencies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Local position-space two-nucleon potentials from leading to fourth order of chiral effective field theory

We present local, position-space chiral NN potentials through four orders of chiral effective field theory ranging from leading order (LO) to next-to-next-to-next-to-leading order (N 3 LO, fourth order) of the Δ-less version of the theory. The long-range parts of these potentials are fixed by the very accurate πN LECs as determined in the Roy-Steiner equations analysis. At the highest order (N 3 LO), the NN data below 190 MeV laboratory energy are reproduced with the respectable χ 2 /datum of 1.45. A comparison of the N 3 LO potential with the phenomenological Argonne v 18 (AV18) potential reveals substantial agreement between the two potentials in the intermediate range ruled by chiral symmetry, thus, providing a chiral underpinning for the phenomenological AV18 potential. Our chiral NN potentials may serve as a solid basis for systematic ab initio calculations of nuclear structure and reactions that allow for a comprehensive error analysis. In particular, the order by order development of the potentials will make possible a reliable determination of the truncation error at each order. Our new family of local position-space potentials differs from existing potentials of this kind by a weaker tensor force as reflected in relatively low D-state probabilities of the deuteron (P D ≲ 4.0 % for our N 3 LO potentials) and predictions for the triton binding energy above 8.00 MeV (from two-body forces alone). As a consequence, our potentials may lead to different predictions when applied to light and intermediate-mass nuclei in ab initio calculations and, potentially, help solve some of the outstanding problems in microscopic nuclear structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Polarization‐Engineered Near‐Field Generation Using a Hybrid Tip–Antenna System

Precise control of light polarization at the nanoscale is critical for accessing chiral optical responses and manipulating spin–photon interactions in advanced materials. Yet, conventional scattering-type near-field probes predominantly generate out-of-plane linear polarization and offer little control over phase or polarization state. Here, in this study, we introduce a polarization-engineered near-field methodology based on a combined metallic tip and planar dipole nanoantenna system. Using full-wave electromagnetic simulations, we show that the tip acts as a vertically oriented plasmonic resonator, while the antenna supports an in-plane dipolar mode. By tuning the tip–antenna geometry and tip height, the two orthogonal field components attain comparable amplitudes and a controllable ∼90° phase offset, producing circularly polarized nano-light in the antenna gap. The proposed system effectively functions as a nanoscale quarter-wave plate, converting linearly polarized illumination into circularly polarized hotspots without external polarization optics. This method establishes an experimentally accessible route toward polarization-programmable near-field nanoscopy, enabling chiral spectroscopy, selective excitation of spin/valley degrees of freedom, and quantum optical investigations at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Chiral Spin Textures in Amorphous Iron–Germanium Thick Films

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii-Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe-Ge thick films. Overall, these results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. Disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Intertwined Polar, Chiral, and Ferro-Rotational Orders in a Homo-Ferro-Rotational Insulator

Intertwined orders refer to strongly coupled and mutually dependent orders that coexist in correlated electron systems, often underpinning key physical properties of the host materials. Among them, polar, chiral, and ferro-rotational orders have been theoretically known to form a closed set of intertwined orders. However, experimental investigation into their mutual coupling and physical consequences has remained elusive. In this work, we employ the polar-chiral insulator Ni 3 ⁢TeO 6 as a platform and utilize a multimodal optical approach to directly probe and reveal the intertwining among polarity, chirality, and ferro-rotational order. We demonstrate how their coupling governs the formation of domains and dictates the nature of domain walls. Within the domains, we identify spatial inversion symmetry as the operation connecting two domain states of opposite polarity and chirality, with a homo-ferro-rotational state serving as the prerequisite for these interlocked configurations. At the domain walls, we observe a pronounced enhancement of in-plane polarization accompanied by a suppression of chirality. By combining with Ginzburg-Landau theory within the framework of a preexisting homo-ferro-rotational background, we uncover the emergence of mixed Néel- and Bloch-type domain walls. Our findings highlight the critical role of intertwined orders in defining domain and domain-wall characteristics and open pathways for domain switching and domain-wall control via intertwined order parameters.

Zhang, Weizhe [University of Michigan, Ann Arbor, ↗
DOE OSTI2024

Microscopic origin of tunable assembly forces in chiral active environments

Across a variety of spatial scales, from nanoscale biological systems to micron-scale colloidal systems, equilibrium self-assembly is entirely dictated by—and therefore limited by—the thermodynamic properties of the constituent materials. In contrast, nonequilibrium materials, such as self-propelled active matter, expand the possibilities for driving the assemblies that are inaccessible in equilibrium conditions. Recently, a number of works have suggested that active matter drives or accelerates self-organization, but the emergent interactions that arise between solutes immersed in actively driven environments are complex and poorly understood. Here, we analyze and resolve two crucial questions concerning actively driven self-assembly: (i) how, mechanistically, do active environments drive self-assembly of passive solutes? (ii) Under which conditions is this assembly robust? We employ the framework of odd hydrodynamics to theoretically explain numerical and experimental observations that chiral active matter, i.e., particles driven with a directional torque, produces robust and long-ranged assembly forces. Overall, these developments constitute an important step towards a comprehensive theoretical framework for controlling self-assembly in nonequilibrium environments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Chiral Effective Field Theory’s Impact on Advancing Quantum Monte Carlo Methods

Thirty years ago, Steven Weinberg published his seminal paper on “Nuclear Forces from chiral Lagrangians” which has revolutionized the field of theoretical nuclear physics. Nowadays, interactions derived from chiral effective field theory are routinely used to describe nuclear systems ranging from atomic nuclei to the dense matter explored in the core of neutron stars with theoretical uncertainty estimates. Here, in our contribution to the special issue “Celebrating 30 years of Steven Weinberg’s paper Nuclear Forces from Chiral Lagrangians”, we focus on the impact that chiral effective field theory interactions have played in advancing microscopic studies of atomic nuclei and the nuclear-matter equation of state using quantum Monte Carlo methods.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Modeling magnetic fields with helical solutions to Laplace’s equation

The series solution to Laplace's equation in a helical coordinate system is derived and refined using symmetry and chirality arguments. These functions and their more commonplace counterparts are used to model solenoidal magnetic fields via linear, multidimensional curve-fitting. A judicious choice of functional forms, a small number of free parameters and sparse input data can lead to highly accurate, fine-grained modeling of solenoidal magnetic fields, including helical features arising from the winding of the solenoid, with overall field accuracy at better than one part per million.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Exploring the NΛ–NΣ coupled system with high precision correlation techniques at the LHC

The interaction of Λ and Σ hyperons (Y) with nucleons (N) is strongly influenced by the coupled-channel dynamics. Due to the small mass difference of the NΛ and NΣ systems, the sizable coupling strength of the NΣ↔NΛ processes constitutes a crucial element in the determination of the NΛ interaction. In this letter we present the most precise measurements on the interaction of pΛ pairs, from zero relative momentum up to the opening of the NΣ channel. The correlation function in the relative momentum space for pΛ ⊕$\bar{p}$$\bar{Λ}$ pairs measured in high-multiplicity triggered pp collisions at $\sqrt{s}$=13 TeV at the LHC is reported. The opening of the inelastic NΣ channels is visible in the extracted correlation function as a cusp-like structure occurring at relative momentum k*=289 MeV/c. This represents the first direct experimental observation of the NΣ↔NΛ coupled channel in the pΛ system. The correlation function is compared with recent chiral effective field theory calculations, based on different strengths of the NΣ↔NΛ transition potential. A weaker coupling, as possibly supported by the present measurement, would require a more repulsive three-body NNΛ interaction for a proper description of the Λ in-medium properties, which has implications on the nuclear equation of state and for the presence of hyperons inside neutron stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Enantioselective C–H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands

The trityl-substituted bisoxazoline ( TrH BOX) was prepared as a chiral analogue to a previously reported nickel dipyrrin system capable of ring-closing amination catalysis. Ligand metalation with divalent NiI 2 (py) 4 followed by potassium graphite reduction afforded the monovalent (TrH BOX)Ni(py) (4). Slow addition of 1.4 equiv of a benzene solution of 1-adamantylazide to 4 generated the tetrazido ( TrH BOX)Ni(κ 2 -N 4 Ad 2 ) (5) and terminal iminyl adduct ( TrH BOX)Ni(NAd) (6). Investigation of 6 via single-crystal X-ray crystallography, NMR and EPR spectroscopies, and computations revealed a Ni(II)-iminyl radical formulation, similar to its dipyrrinato congener. Complex 4 exhibits enantioselective intramolecular C–H bond amination to afford N-heterocyclic products from 4-aryl-2-methyl-2-azidopentanes. Catalytic C–H amination occurs under mild conditions (5 mol % catalyst, 60 °C) and provides pyrrolidine products in decent yield (29%–87%) with moderate ee (up to 73%). Substrates with a 3,5-dialkyl substitution on the 4-aryl position maximized the observed enantioselectivity. Kinetic studies to probe the reaction mechanism were conducted using 1H and 19F NMR spectroscopies. A small, intermolecular kinetic isotope effect (1.35 ± 0.03) suggests an H-atom abstraction step with an asymmetric transition state while the reaction rate is measured to be first order in catalyst and zeroth order in substrate concentrations. Enantiospecific deuterium labeling studies show that the enantioselectivity is dictated by both the H-atom abstraction and radical recombination steps due to the comparable rate between radical rotation and C–N bond formation. Furthermore, the competing elements of the two-step reaction where H-removal from the pro-R configuration is preferred while the preferential radical capture occurs with the Si face of the carboradical likely lead to the diminished ee observed, as corroborated by theoretical calculations. Furthermore, based on these enantio-determining steps, catalytic enantioselective synthesis of 2,5-bis-tertiary pyrrolidines is demonstrated with good yield (50–78%) and moderate ee (up to 79%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Stereoselective recognition of morphine enantiomers by μ -opioid receptor

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor (MOR) exhibits binding affinity towards (-)-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the (+)-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of (-)-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast, (+)-morphine fails to sustain the activation state of MOR. Furthermore, the results suggest that specific residues, namely D114 2.50 and D147 3.32 , are deprotonated in the active state of MOR bound to (-)-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Bright, single helicity, high harmonics driven by mid-infrared bicircular laser fields

High-harmonic generation (HHG) is a unique tabletop light source with femtosecond-to-attosecond pulse duration and tailorable polarization and beam shape. Here, we use counter-rotating femtosecond laser pulses of 0.8 µm and 2.0 μm to extend the photon energy range of circularly polarized high-harmonics and also generate single-helicity HHG spectra. By driving HHG in helium, we produce circularly polarized soft x-ray harmonics beyond 170 eV—the highest photon energy of circularly polarized HHG achieved to date. In an Ar medium, dense spectra at photon energies well beyond the Cooper minimum are generated, with regions composed of a single helicity—consistent with the generation of a train of circularly polarized attosecond pulses. Finally, we show theoretically that circularly polarized HHG photon energies can extend beyond the carbon K edge, extending the range of molecular and materials systems that can be accessed using dynamic HHG chiral spectro-microscopies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Real-time chiral dynamics at finite temperature from quantum simulation

In this study, we explore the real-time dynamics of the chiral magnetic effect (CME) at a finite temperature in the (1+1)-dimensional QED, the massive Schwinger model. By introducing a chiral chemical potential μ 5 through a quench process, we drive the system out of equilibrium and analyze the induced vector currents and their evolution over time. The Hamiltonian is modified to include the time-dependent chiral chemical potential, thus allowing the investigation of the CME within a quantum computing framework. We employ the quantum imaginary time evolution (QITE) algorithm to study the thermal states, and utilize the Suzuki-Trotter decomposition for the real-time evolution. This study provides insights into the quantum simulation capabilities for modeling the CME and offers a pathway for studying chiral dynamics in low-dimensional quantum field theories.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Topological Defect Engineering and $\mathcal{PT}$ Symmetry in Non-Hermitian Electrical Circuits

In this work, we employ electric circuit networks to study topological states of matter in non-Hermitian systems enriched by parity-time symmetry $\mathcal{PT}$ and chiral symmetry anti-$\mathcal{PT (APT)}$. The topological structure manifests itself in the complex admittance bands which yields excellent measurability and signal to noise ratio. We analyze the impact of $\mathcal{PT}$-symmetric gain and loss on localized edge and defect states in a non-Hermitian Su-Schrieffer-Heeger (SSH) circuit. We realize all three symmetry phases of the system, including the $\mathcal{APT}$-symmetric regime that occurs at large gain and loss. We measure the admittance spectrum and eigenstates for arbitrary boundary conditions, which allows us to resolve not only topological edge states, but also a novel $\mathcal{PT}$-symmetric $\mathbb{Z}_2$ invariant of the bulk. We discover the distinct properties of topological edge states and defect states in the phase diagram. In the regime that is not $\mathcal{PT}$ symmetric, the topological defect state disappears and only reemerges when $\mathcal{APT}$ symmetry is reached, while the topological edge states always prevail and only experience a shift in eigenvalue. Our findings unveil a future route for topological defect engineering and tuning in non-Hermitian systems of arbitrary dimension.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nuclear properties with semilocal momentum-space regularized chiral interactions beyond N 2 LO

We present a comprehensive investigation of few-nucleon systems as well as light and medium-mass nuclei up to A = 48 using the current Low Energy Nuclear Physics International Collaboration two-nucleon interactions in combination with the third-order (N 2 LO) three-nucleon forces. To address the systematic overbinding of nuclei starting from A ≈ 10 found in our earlier study utilizing the N 2 LO two- and three-nucleon forces, we take into account higher-order corrections to the two-nucleon potentials up through fifth order in chiral effective field theory. Here, the resulting Hamiltonian can be completely determined using the A = 3 binding energies and selected nucleon-deuteron cross sections as input. It is then shown to predict other nucleon-deuteron scattering observables and spectra of light p-shell nuclei, for which a detailed correlated truncation error analysis is performed, in agreement with experimental data. Moreover, the predicted ground state energies of nuclei in the oxygen isotopic chain from 14 O to 26 O as well as 40 Ca and 48 Ca show a remarkably good agreement with experimental values, given that the Hamiltonian is fixed completely from the A ≤ 3 data, once the fourth-order (N 3 LO) corrections to the two-nucleon interactions are taken into account. On the other hand, the charge radii are found to be underpredicted by ≈10% for the oxygen isotopes and by almost 20% for 40 Ca and 48 Ca.

20 ≤ A ≤ 38↗
DOE OSTI2021

Light nuclei with semilocal momentum-space regularized chiral interactions up to third order

In this work, we present a systematic investigation of few-nucleon systems and light nuclei using the current Low Energy Nuclear Physics International Collaboration interactions comprising semilocal momentum-space regularized two- and three-nucleon forces up to third chiral order (N 2 LO). Following our earlier study utilizing the coordinate-space regularized interactions, the two low-energy constants entering the three-body force are determined from the triton binding energy and the differential cross-section minimum in elastic nucleon-deuteron scattering. Predictions are made for selected observables in elastic nucleon-deuteron scattering and in the deuteron breakup reactions, for properties of the A = 3 and A = 4 nuclei, and for spectra of p-shell nuclei up to A = 16. A comprehensive error analysis is performed including an estimation of correlated truncation uncertainties for nuclear spectra. The obtained predictions are generally found to agree with experimental data within errors. Similarly to the coordinate-space regularized chiral interactions at the same order, a systematic overbinding of heavier nuclei is observed, which sets in for A~10 and increases with A.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

2D Ising Model for Adsorption–induced Enantiopurification of Racemates

Mechanisms for the spontaneous transformation of achiral chemical systems into states of enantiomeric purity have important ramifications in modern pharmacology and potential relevance to the origins of homochirality in life on Earth. Such mechanisms for enantiopurification are needed for production of chiral pharmaceuticals and other bioactive compounds. Previously proposed chemical mechanisms leading from achiral systems to near homochirality are initiated by a symmetry–breaking step resulting in a minor excess of one enantiomer via statistical fluctuations in enantiomer concentrations. Subsequent irreversible processes then amplify the majority enantiomer concentration while simultaneously suppressing minority enantiomer production. Herein, equilibrium adsorption of amino acid enantiomer mixtures onto chiral and achiral surfaces reveals amplification of surface enantiomeric excess relative to the gas phase; i. e. enantiopurification of chiral adsorbates by adsorption. Furthermore, this adsorption–induced amplification of enantiomeric excess is shown to be well–describe by the 2D Ising model. More importantly, the 2D–Ising model predicts formation of homochiral monolayers from adsorption of racemic mixtures or prochiral molecules on achiral surfaces; i.e. enantiopurification with no apparent chiral driving force.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗