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DOE OSTI2024

"Hall" transport of liquid crystal solitons in Couette flow

Topology establishes a unifying framework for a diverse range of scientific areas including particle physics, cosmology, and condensed matter physics. One of the most fascinating manifestations of topology in the context of condensed matter is the topological Hall effect, and its relative: the Skyrmion Hall effect. Skyrmions are stable vortex-like spin configurations in certain chiral magnets, and when subject to external electric currents can drift in the transverse direction to the current. These quasi-particles are characterised by a conserved topological charge which in the Skyrmion Hall effect plays the role of electric charges in the ordinary Hall effect. Recently, it has been shown that liquid crystals endowed with chiral properties serve as an ideal testbed for the fundamental investigation of topological solitons, including their two- and three-dimensional realisations. Here, we show experimentally and numerically that three-dimensional solitons aka "torons" exhibit a Hall-like effect when driven by shear flows: the torons are deflected in the direction perpendicular to the shear plane. The experimental results are rationalised in terms of the dynamic Ericksen-Leslie equations, which predict the emergence of the transverse component of the net mass flow, the magnitude of which scales as the 3rd power of the shear rate. The perturbation analysis highlights an interplay of the viscous and chiral elastic torques as the mechanism for the emergence of net transverse currents. Numerical simulations demonstrate, however, that torons are not merely dragged by the flow but move with their own transverse speed, much larger than the average flow velocity in the transverse direction. Our findings may enable responsive microfluidic applications relying on soft topological solitons.

FOS: Physical sciences↗

NASA NTRS1990

Magnetically striped relativistic magnetohydrodynamic winds - The Crab Nebula revisited

Previous relativistic pair plasma MHD wind models of the Crab Nebula indicate that the ratio of the wind's Poynting flux to particle kinetic energy flux must be very small. However, many current theories of pulsar magnetospheres and pulsar observations suggest that the spin-down luminosity should be primarily electromagnetic in origin and outward transport. For an oblique rotator, the asymptotic wind magnetic field near the rotational equator should consist of stripes of alternating toroidal field. A simple model of an initially high-sigma striped MHD wind is developed which describes the reconnection annihilation of the opposite polarity stripes as the wind flows radially outward. The initially dominant Poynting flux is converted into particle thermal and directed kinetic energy well within the inner standing shock which terminates the superfast wind.

Coroniti, F. V.↗

NASA NTRS1987

Current CFD efforts in projectile aerodynamics

Information is given in viewgraph form on current computational fluid dynamics (CFD) efforts in projectile aerodynamics. Topics covered include spinning projectiles, fin stabilized projectiles, model geometry, the variation of base drag with base bleed, the variation of normal force with Mach number, and chordwise pressure distribution.

Nietubicz, Charles J.↗

NASA NTRS2009

Examining the Impacts of High-Resolution Land Surface Initialization on Model Predictions of Convection in the Southeastern U.S.

One of the most challenging weather forecast problems in the southeastern U.S. is daily summertime pulse convection. During the summer, atmospheric flow and forcing are generally weak in this region; thus, convection typically initiates in response to local forcing along sea/lake breezes, and other discontinuities often related to horizontal gradients in surface heating rates. Numerical simulations of pulse convection usually have low skill, even in local predictions at high resolution, due to the inherent chaotic nature of these precipitation systems. Forecast errors can arise from assumptions within physics parameterizations, model resolution limitations, as well as uncertainties in both the initial state of the atmosphere and land surface variables such as soil moisture and temperature. For this study, it is hypothesized that high-resolution, consistent representations of surface properties such as soil moisture and temperature, ground fluxes, and vegetation are necessary to better simulate the interactions between the land surface and atmosphere, and ultimately improve predictions of local circulations and summertime pulse convection. The NASA Short-term Prediction Research and Transition (SPORT) Center has been conducting studies to examine the impacts of high-resolution land surface initialization data generated by offline simulations of the NASA Land Informatiot~ System (LIS) on subsequent numerical forecasts using the Weather Research and Forecasting (WRF) model (Case et al. 2008, to appear in the Journal of Hydrometeorology). Case et al. presents improvements to simulated sea breezes and surface verification statistics over Florida by initializing WRF with land surface variables from an offline LIS spin-up run, conducted on the exact WRF domain and resolution. The current project extends the previous work over Florida, focusing on selected case studies of typical pulse convection over the southeastern U.S., with an emphasis on improving local short-term WRF simulations over the Mobile, AL and Miami, FL NWS county warning areas. Future efforts may involve examining the impacts of assimilating remotely-sensed soil moisture data, and/or introducing weekly greenness vegetation fraction composites (as opposed to monthly climatologies) into ol'fline NASA LIS runs. Based on positive impacts, the offline LIS runs could be transitioned into an operational mode, providing land surface initialization data to NWS forecast offices in real time.

Case, Jonathan L.↗

NASA NTRS2005

Stellar Gyroscope for Determining Attitude of a Spacecraft

A paper introduces the concept of a stellar gyroscope, currently at an early stage of development, for determining the attitude or spin axis, and spin rate of a spacecraft. Like star trackers, which are commercially available, a stellar gyroscope would capture and process images of stars to determine the orientation of a spacecraft in celestial coordinates. Star trackers utilize chargecoupled devices as image detectors and are capable of tracking attitudes at spin rates of no more than a few degrees per second and update rates typically <5 Hz. In contrast, a stellar gyroscope would utilize an activepixel sensor as an image detector and would be capable of tracking attitude at a slew rate as high as 50 deg/s, with an update rate as high as 200 Hz. Moreover, a stellar gyroscope would be capable of measuring a slew rate up to 420 deg/s. Whereas a Sun sensor and a three-axis mechanical gyroscope are typically needed to complement a star tracker, a stellar gyroscope would function without them; consequently, the mass, power consumption, and mechanical complexity of an attitude-determination system could be reduced considerably.

Pain, Bedabrata↗

NASA NTRSDate not supplied

Hayabusa2#’s Exploration to Asteroids 2001 CC21 and 1998 KY26 Provides Key Insights Into Planetary Defense

The Hayabusa2 extended mission, nicknamed Hayabusa2# (SHARP: Small Hazardous Asteroid Reconnaissance Probe), started its mission after the Hayabusa2 spacecraft successfully returned in December 2020 to the Earth with Ryugu's samples and released the Sample Return Capsule containing it. Hayabusa2#’s key operations include flying by Near Earth Asteroid (98943) 2001 CC21 and rendezvousing with Near-Earth Asteroid 1998 KY26. The flyby is planned to be in 2026, and the rendezvous will be in 2031. Detailed investigations of these targets enable maturing key knowledge and technologies necessary for planetary defense. This paper reviews the characteristics of these targets and strategies to maximize outcomes from the mission. The spacecraft will fly by 2001 CC21 at a speed of ~5 km/s in 2026. Given constraints on the spacecraft condition, not designed to perform a flyby operation, operational plans require careful assessments to maximize the proximity observations of this asteroid. The ~700 m diameter asteroid's shape is currently unknown, though lightcurve observations suggest the asteroid is elongated. While the spin pole is not constrained well, the spin period is about 5.02 h with uncertainties of 0.01 h [1]. The taxonomic class may be L-type, which implies the presence of Calcium-aluminum-rich inclusions (CAI), one of the primitive materials in the solar system [2], although there are studies suggesting an S-type. Therefore, this must be carefully examined. Photometric and spectroscopic observations will strongly constrain this asteroid’s properties. Our rendezvous target, 1998 KY26, is a ~30 m diameter roundish object spinning at a spin period of 10.7 min, which may represent one of the common groups of Near Earth Asteroids in size and composition that give a higher likelihood of threatening the Earth. Radar and optical observations reconstructed this asteroid's shape with high uncertainties and inferred that its surface composition might be similar to that of carbonaceous asteroids [3]. No spacecraft has ever visited such small bodies. Hayabusa2# visiting 1998 KY26 will be the first mission to document its geophysical properties, offering strong insights into what most frequent invaders look like [4].

Hayabusa2#↗

DOE OSTI2024

Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations

Quantum technologies, such as quantum computing and sensing, require efficient single-photon emission (SPE) sources that operate at room temperature in telecom wavelengths. While several materials can serve as SPE sources, no single platform meets all the criteria for efficiency, ambient operation, and scalability. Single-walled carbon nanotubes (SWCNTs) with covalently attached molecules offer a promising solution. Their SPE can be easily tuned via modifications of the SWCNT's diameter, chirality, and bonded molecules, enabling emission across near-IR to telecom wavelengths at ambient conditions. However, to fully realize the potential of SWCNTs and unlock their quantum capabilities, a deeper understanding of how structural defects from molecular adducts affect their emission and competing photoexcited processes is essential. To address this gap in our knowledge, this project combined quantum chemistry calculations with data-driven methods of cheminformatics (QSAR) and machine learning (ML). The developed computational approaches have provided several design strategies for covalent functionalization of SWCNTs to improve their optical response. The collaboration with Los Alamos National Lab (LANL) enabled direct comparison of computational and experimental data, facilitating method validation. This partnership was enhanced through access to LANL's Center for Integrated Nanotechnologies (CINT) utilizing User Facility Program and summer internships, which provided three NDSU graduate students with hands-on experience at LANL. The outcomes of this project included (1) Advancing the current stage of computational methods in accurate modeling of non-adiabatic spin-dependent photoexcited dynamics and its applicability to nanosystems consisting of thousands of atoms, realized as open-access codes linked to existing DFT-based software; (2) Establishing the relationship between the structure of adducts and SWCNTs and intrinsic excitonic and spin properties of defect states for guiding novel synthetic strategies and experimental probes of chemically functionalized SWCNTs as near-IR emitting materials; (3) Generating virtual libraries of hypothetical functionalized SWCNTs for virtual screening of their chemical structures and optical properties, leveraging new functionalities of SWCNTs; (4) Offering a unique experience for NDSU graduate students that prepared them for future scientific careers related to materials modeling and big data processing. These results were summarized in 12 published journal papers and 3 recently submitted papers. One of a key finding is that the position of defect sites on the SWCNT surface primarily drives the emission redshift (up to 100 meV), while the polarity of the defect-inducing molecules has a much smaller effect (~10 meV). However, the electron-donating or withdrawing properties of a molecule influence selecting reactivity of defect sites. These insights important for optimizing synthetic protocols for desired emissions in SWCNTs. We also revealed that the interaction between two defects at various positions on the SWCNT enhances the redshift and optical activity of states, favoring strong near-IR emission. This suggests that manipulations in defect concentrations is a promising strategy for controlling efficient emission. Mostly important, the defect position was found controllable by the spin states of photoexcited intermediates: Excited aromatic molecules form ortho defects with SWCNTs at their singlet states in the presence of oxygen, while oxygen-free conditions favor para defects via the triplet-state mechanism. Additionally, a heat-activated [2+2] cycloaddition reaction facilitates divalent defect formation with fewer bonding positions that narrows emission bands. These groundbreaking findings have been experimentally validated and significantly advance our understanding of defect chemistry in SWCNTs. Using a novel encoding technique and 3D-MoRSE descriptors, we developed highly accurate ML/QSAR models to predict both the 3D structure and optical properties of SWCNTs with chemical defects. This model enabled the creation of a virtual library of 125,556 structures, providing new insights into the relationship between SWCNT-defect structure and emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride

Abstract Point defect quantum bits in semiconductors have the potential to revolutionize sensing at atomic scales. Currently, vacancy-related defects are at the forefront of high spatial resolution and low-dimensional sensing. On the other hand, it is expected that impurity-related defect structures may give rise to new features that could further advance quantum sensing in low dimensions. Here, we study the symmetric carbon tetramer clusters in hexagonal boron nitride and propose them as spin qubits for sensing. We utilize periodic-DFT and quantum chemistry approaches to reliably and accurately predict the electronic, optical, and spin properties of the studied defect. We show that the nitrogen-centered symmetric carbon tetramer gives rise to spin state-dependent optical signals with strain-sensitive intersystem crossing rates. Furthermore, the weak hyperfine coupling of the defect to their spin environments results in a reduced electron spin resonance linewidth that can enhance sensitivity.

Chemistry↗

DOE OSTI2024

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System: Preprint

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory (NREL) has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that can be neglected for wind turbines. These include buoyant loads, added mass and inertia loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbine systems at a speed comparable to real time. While efficient for long simulations, large sets of load cases, and design studies, mid-fidelity codes cannot capture all of the potentially important physical phenomenon impacting marine turbine systems. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system designed by NREL was modeled both with OpenFAST and with the commercial CFD code, STARCCM+. The CFD model used a 3-D unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modelled with a custom coupling of the CFD solver with the open-source code, MoorDyn. This improves upon the existing quasi-static catenary solver in STARCCM+, which lacks seabed contact or line-to-line connections. Spatial and temporal convergence studies were conducted. The simulation results for a combined current and wave condition are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗

NASA NTRS2003

Superalloy Disk With Dual-Grain Structure Spin Tested

Advanced nickel-base disk alloys for future gas turbine engines will require greater temperature capability than current alloys, but they must also continue to deliver safe, reliable operation. An advanced, nickel-base disk alloy, designated Alloy 10, was selected for evaluation in NASA s Ultra Safe Propulsion Project. Early studies on small test specimens showed that heat treatments that produced a fine grain microstructure promoted high strength and long fatigue life in the bore of a disk, whereas heat treatments that produced a coarse grain microstructure promoted optimal creep and crack growth resistance in the rim of a disk. On the basis of these results, the optimal combination of performance and safety might be achieved by utilizing a heat-treatment technology that could produce a fine grain bore and coarse grain rim in a nickel-base disk. Alloy 10 disks that were given a dual microstructure heat treatment (DMHT) were obtained from NASA s Ultra-Efficient Engine Technology (UEET) Program for preliminary evaluation. Data on small test specimens machined from a DMHT disk were encouraging. However, the benefit of the dual grain structure on the performance and reliability of the entire disk still needed to be demonstrated. For this reason, a high temperature spin test of a DMHT disk was run at 20 000 rpm and 1500 F at the Balancing Company of Dayton, Ohio, under the direction of NASA Glenn Research Center personnel. The results of that test showed that the DMHT disk exhibited significantly lower crack growth than a disk with a fine grain microstructure. In addition, the results of these tests could be accurately predicted using a two-dimensional, axisymmetric finite element analysis of the DMHT disk. Although the first spin test demonstrated a significant performance advantage associated with the DMHT technology, a second spin test on the DMHT disk was run to determine burst margin. The disk burst in the web at a very high speed, over 39 000 rpm, in line with the predicted location and speed. Furthermore, significant growth of the disk was observed before failure, in line with predictions, clearly demonstrating the reliability and safety of the DMHT technology. Although successful spin testing in Ultra Safe's Nickel Disk Program represents a significant milestone for DMHT technology, realistic engine operation will require repeated loading of a DMHT nickel disk. For this reason, a cyclic spin test study of DMHT nickel disk technology has been proposed to start in fiscal year 2003 under NASA's Aviation Safety Program. The goal of this program will be to determine the fatigue failure mechanism in DMHT nickel disks, thereby demonstrating the reliability and safety of DMHT technology under repetitive loading conditions encountered in realistic engine operation.

Gayda, John↗

DOE OSTI2023

Effect of Melt-Spinning Parameters on the Structure and Properties of Ni 55.5 Mn 18.8 Ga 24 Si 1.7 Heusler Alloy Ribbons

Ni–Mn-based Heusler alloys are known to demonstrate magnetic shape memory and giant magnetocaloric effect (MCE). These effects depend on the phases, crystallographic and magnetic phase transitions, and the crystallographic texture characteristics. These structural characteristics, in turn, are a function of the processing parameters. In the current work, Ni 55.5 Mn 18.8 Ga 24 Si 1.7 Heusler alloy was processed by melt-spinning under a helium atmosphere. This process results in a fine microstructure. The ribbon that was produced with a narrower nozzle width, faster wheel speed, and higher cast temperature, indicating a faster cooling rate, had double the magnetic entropy change close to room temperature. However, the other ribbon demonstrated a large entropy change over a broader temperature range, extending its usability. The effect of the melt-spinning process parameters on the developing microstructure, crystallographic structure and texture, transformation temperatures, and the magnetic entropy change were studied to explain the difference in magnetocaloric behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Tunable Spin Qubit Pairs in Quantum Dot–Molecule Conjugates

Organic molecules and quantum dots (QDs) have both shown promise as materials that can host quantum bits (qubits). This is in part because of their synthetic tunability. The current work employs a combination of both materials to demonstrate a series of tunable quantum dot–organic molecule conjugates that can both host photogenerated spin-based qubit pairs (SQPs) and sensitize molecular triplet states. The photogenerated qubit pairs, composed of a spin-correlated radical pair (SCRP), are particularly intriguing since they can be initialized in well-defined, nonthermally populated, quantum states. Additionally, the radical pair enables charge recombination to a polarized molecular triplet state, also in a well-defined quantum state. The materials underlying this system are an organic molecular chromophore and electron donor, 9,10-bis(phenylethynyl)anthracene, and a quantum dot acceptor composed of ZnO. We prepare a series of quantum dot–molecule conjugates that possess variable quantum dot size and two different linker lengths connecting the two moieties. Optical spectroscopy revealed that the QD–molecule conjugates undergo photoexcited charge separation to generate long-lived charge-separated radical pairs. The resulting spin states are probed using light-induced time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy, revealing the presence of singlet-generated SCRPs and molecular triplet states. Notably, the EPR spectra of the radical pairs are dependent on the geometry of this highly tunable system. The g value of the ZnO QD anion is size tunable, and the line widths are influenced by radical pair separation. Overall, this work demonstrates the power of synthetic tunability in adjusting the spin specific addressability, satisfying a key requirement of functional qubit systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Proximity Magnetism in Mn(Bi,Sb) 2 Te 4 –(Bi,Sb) 2 Te 3 /MnTe Natural Heterostructures

Magnetic topological insulators and their heterostructures provide significant opportunities to couple band topology with a nontrivial spin configuration for enhanced spintronic device performance, as well as designing magnetoelectric systems and functionalities. We find that Mn interdiffusion from MnTe when interfaced with (Bi,Sb) 2 Te 3 stabilizes as self-organized Mn(Bi,Sb) 2 Te 4 septuple lamellae among alternating (Bi,Sb) 2 Te 3 quintuple layers, as observed using scanning transmission electron microscopy and depth-sensitive polarized neutron reflectometry. We further demonstrate a valuable combination of magnetic and topological orders in these naturally formed Mn(Bi,Sb) 2 Te 4 –(Bi,Sb) 2 Te 3 heterostructures, which are exchange-coupled with MnTe. Magnetotransport experiments and quantum magnetism simulations reveal that, above its own Néel temperature T N ∼ 20 K, Mn(Bi,Sb) 2 Te 4 mediates the exchange field leading to an anomalous Hall effect at the (Bi,Sb) 2 Te 3 /MnTe interface, with an enhanced interfacial T N exceeding 200 K, approaching that of the bulk MnTe. This magnetic interface, in turn, allows a robust and deterministic spin–orbit torque switching without an external magnetic field at a low critical current density of 3 × 10 5 A cm –2 . The antiferromagnetically coupled architecture of Mn(Bi,Sb) 2 Te 4 –(Bi,Sb) 2 Te 3 /MnTe, featuring magnetic and topological proximity effects across a chalcogenide backbone, is rich in fundamental interface physics and holds the potential for practical applications in spintronics.

magnetic topological insulator↗

DOE OSTI2025

Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes

Developing multicharge and spin stabilization strategies is fundamental to enhancing the lifetime of functional organic materials, particularly for long-term energy storage in multiredox organic redox flow batteries. Current approaches are limited to the incorporation of electronic substituents to increase or decrease the overall electron density or bulky substituents to sterically shield reactive sites. With the aim to further expand the molecular toolbox for charge and spin stabilization, we introduce regioisomerism as a scaffold-diversifying design element that considers the collective and cumulative electronic and steric contributions from all of the substituents based on their relative regioisomeric arrangements. Through a systematic study of regioisomers of near-planar aromatic cyclic triindoles and nonplanar nonaromatic cyclic tetraindoles, we demonstrate that this regioisomeric engineering strategy significantly enhances the H-cell cycling stability in the above two new classes of 2e – catholytes, even when current strategies failed to stabilize the multicharged species. Density functional theory calculations reveal that the strategy operates by redistributing the charge and spin densities while highlighting the role of aromaticity in charge stabilization. The most stable 2e – catholyte candidate was paired with a viologen derivative anolyte to achieve a proof-of-concept all-organic flow battery with 1.26–1.49 V, 98% capacity retention, and only 0.0117% fade/h and 0.00563% fade/cycle over 400 cycles (192 h), which is the highest capacity retention ever reported over 400 cycles in a multielectron all-organic flow battery setup. We anticipate regioisomeric engineering to be a promising strategy complementary to conventional electronic and steric approaches for multicharge and spin stabilization in other functional organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

Hovering Dual-Spin Vehicle Groundwork for Bias Momentum Sizing Validation Experiment

Angular bias momentum offers significant stability augmentation for hovering flight vehicles. The reliance of the vehicle on thrust vectoring for agility and disturbance rejection is greatly reduced with significant levels of stored angular momentum in the system. A methodical procedure for bias momentum sizing has been developed in previous studies. This current study provides groundwork for experimental validation of that method using an experimental vehicle called the Dual-Spin Test Device, a thrust-levitated platform. Using measured data the vehicle's thrust vectoring units are modeled and a gust environment is designed and characterized. Control design is discussed. Preliminary experimental results of the vehicle constrained to three rotational degrees of freedom are compared to simulation for a case containing no bias momentum to validate the simulation. A simulation of a bias momentum dominant case is presented.

Rothhaar, Paul M.↗

DOE OSTI2023

Room-Temperature, Current-Induced Magnetization Self-Switching in A Van Der Waals Ferromagnet

2D layered materials with broken inversion symmetry are being extensively pursued as spin source layers to realize high-efficiency magnetic switching. Such low-symmetry layered systems are, however, scarce. In addition, most layered magnets with perpendicular magnetic anisotropy show a low Curie temperature. Here, in this study, the experimental observation of spin–orbit torque magnetization self-switching at room temperature in a layered polar ferromagnetic metal, Fe 2.5 Co 2.5 GeTe 2 is reported. The spin–orbit torque is generated from the broken inversion symmetry along the c-axis of the crystal. These results provide a direct pathway toward applicable 2D spintronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Control of chiral orbital currents in a colossal magnetoresistance material

Colossal magnetoresistance (CMR) is an extraordinary enhancement of the electrical conductivity in the presence of a magnetic field. It is conventionally associated with a field-induced spin polarization that drastically reduces spin scattering and electric resistance. Ferrimagnetic Mn 3 Si 2 Te 6 is an intriguing exception to this rule: it exhibits a seven-order-of-magnitude reduction in ab plane resistivity that occurs only when a magnetic polarization is avoided 1,2 . Here, we report an exotic quantum state that is driven by ab plane chiral orbital currents (COC) flowing along edges of MnTe 6 octahedra. The c axis orbital moments of ab plane COC couple to the ferrimagnetic Mn spins to drastically increase the ab plane conductivity (CMR) when an external magnetic field is aligned along the magnetic hard c axis. Consequently, COC-driven CMR is highly susceptible to small direct currents exceeding a critical threshold, and can induce a time-dependent, bistable switching that mimics a first-order ‘melting transition’ that is a hallmark of the COC state. Further, the demonstrated current-control of COC-enabled CMR offers a new paradigm for quantum technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Entanglement Benchmarking in Quantum Simulations of Spin Systems

We simulate quantum spin systems and measure entanglement using circuits tailored for near-term quantum computers. Traditional tools like entanglement entropy are limited to pure states and require full state tomography, making them impractical on current hardware. Instead, we employ the novel approach, Positive Partial Transpose (PPT) criterion to efficiently detect pairwise entanglement from two-spin reduced density matrices, applicable to both pure and mixed states. This method enables scalable entanglement detection, providing a practical route to study quantum correlations, phase transitions, and benchmark quantum devices.

Baul, Anshumitra [ORNL] (ORCID:0000000268947191)↗