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DOE OSTI2025

High-temperature anomalous Hall effect driven by frustrated spin fluctuations in the antiferromagnetic delafossite metal PdCrO 2

Metallic delafossite oxides are of exceptional interest due to their ultraclean metallic transport. In the case of PdCrO 2 , this arises in a triangular-lattice antiferromagnet, creating a unique opportunity to study frustrated magnetism in a very clean metal. Here, we combine a chemical vapor transport crystal growth approach with magnetic, thermodynamic, magnetotransport, and neutron scattering measurements to elucidate the striking anomalous Hall effect (AHE) in antiferromagnetic PdCrO 2 . The unconventional AHE (with anomalous Hall conductivity ~10 5 Ω −1 cm −1 ) and a large positive magnetoresistance effect (>1,000%) are shown to exhibit complex temperature dependencies, persisting to almost seven times the Néel temperature (~250 K). These effects are directly compared to elastic neutron scattering, inelastic neutron scattering, and neutron magnetic pair distribution function data, establishing unambiguous links between anomalous magnetotransport properties and directly probed short-range spin fluctuations. The latter occur over a notably broad temperature range due to geometrical magnetic frustration. Connecting to recent experimental and theoretical developments, these findings are discussed in terms of a temperature-dependent interplay between chiral spin order and chiral spin fluctuations, significantly elucidating the high-temperature anomalous magnetotransport in such compounds.

anomalous Hall effect↗

DOE OSTI2022

HyKKT: a hybrid direct-iterative method for solving KKT linear systems

Here, we propose a solution strategy for the large indefinite linear systems arising in interior methods for nonlinear optimization. The method is suitable for implementation on hardware accelerators such as graphical processing units (GPUs). The current gold standard for sparse indefinite systems is the LBLT factorization where L is a lower triangular matrix and B is 1×1 or 2×2 block diagonal. However, this requires pivoting, which substantially increases communication cost and degrades performance on GPUs. Our approach solves a large indefinite system by solving multiple smaller positive definite systems, using an iterative solver on the Schur complement and an inner direct solve (via Cholesky factorization) within each iteration. Cholesky is stable without pivoting, thereby reducing communication and allowing reuse of the symbolic factorization. We demonstrate the practicality of our approach on large optimal power flow problems and show that it can efficiently utilize GPUs and outperform LBL T factorization of the full system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Fabrication, Assembly, and Metrology of the Neutron Imaging Pinhole

The neutron imaging pinhole is a complex aperture that is designed to have its image plane at the center of a laser fusion capsule implosion. The aperture’s high-Z materials of tungsten and gold block the neutrons so that only the neutrons passing through the machined apertures make it to the image plane and detector. The pinhole assembly consists of 11 layers of gold in between two layers of tungsten and gold. These 64 triangular pinholes and six penumbra apertures provide a matrix image that can be reconstructed to image complex deuterium-tritium neutron burn details in laser fusion capsules. The gold layers were diamond turned flat before the profiles were cut into their faces. Four of the layers were profiled with penumbral profile arrays that tapered from a radius of 250 to 150 µm. Three gold layers were just diamond turned to wedges to set the tilt of the whole aperture. Three gold layers were profiled on both sides with triangle groove arrays that consist of eight equilateral triangles with the depth of 200 to 15 µm over the 200-mm length, with a tolerance of 2 µm. Custom software programming routines were written using Labview to move the diamond-turning profiler through the required X-Y-Z movements to cut the penumbral and grooved profiles of the pinhole into the varying tilted arrays of features. The software is optimized to push the profile of the whole part into the face while eliminating any unneeded passes that do not cut any material. Each layer was thoroughly inspected on both sides using an optical coordinate measuring machine and white-light interferometer to validate each of the profiles. The pinhole assembly was inspected on a rotary stage so that both ends of the assembly can be inspected and presented in a single point cloud. The process of machining, programming, assembly, and inspection of the neutron imaging pinhole is covered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

High internal inductance for steady-state operation in ITER and a reactor

Increased confinement and ideal stability limits at relatively high values of the internal inductance (ℓ i ) have enabled an attractive scenario for steady-state tokamak operation to be demonstrated in DIII-D. We achieved normalized plasma pressure in the range appropriate for a reactor in high elongation and triangularity double-null divertor discharges with beta(N) approximate to 5 at ℓ i approximate to 1.3, near the ideal n = 1 kink stability limit calculated without the effect of a stabilizing vacuum vessel wall, with the ideal-wall limit still higher at β N > 5.5. Moreover, confinement is above the H-mode level with H 98(y,H- 2) approximate to 1.8. At q 95 approximate to 7.5, the current is overdriven, with bootstrap current fraction f BS approximate to 0.8, noninductive current fraction f NI > 1 and negative surface voltage. For ITER (which has a single-null divertor shape), operation at ℓ i approximate to 1 is a promising option with f BS approximate to 0.5 and the remaining current driven externally near the axis where the electron cyclotron current drive efficiency is high. This scenario has been tested in the ITER shape in DIII-D at q 95 = 4.8, so far reaching f NI = 0.7 and f BS = 0.4 at beta N approximate to 3.5 with performance appropriate for the ITER Q=5 mission, H 89 beta N /q 2 95 approximate to 0.3. Finally, modeling studies explored how increased current drive power for DIII-D could be applied to maintain a stationary, fully noninductive high ℓ i discharge. Stable solutions in the double-null shape are found without the vacuum vessel wall at beta N = 4, ℓ i = 1.07 and f BS = 0.5, and at beta N = 5 with the vacuum vessel wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Fusion nuclear science facilities and pilot plants based on the spherical tokamak

Here, a fusion nuclear science facility (FNSF) could play an important role in the development of fusion energy by providing the nuclear environment needed to develop fusion materials and components. The spherical torus/tokamak (ST) is a leading candidate for an FNSF due to its potentially high neutron wall loading and modular configuration. A key consideration for the choice of FNSF configuration is the range of achievable missions as a function of device size. Possible missions include: providing high neutron wall loading and fluence, demonstrating tritium self-sufficiency, and demonstrating electrical self-sufficiency. All of these missions must also be compatible with a viable divertor, first-wall, and blanket solution. ST-FNSF configurations have been developed simultaneously incorporating for the first time: (1) a blanket system capable of tritium breeding ratio TBR ≈ 1, (2) a poloidal field coil set supporting high elongation and triangularity for a range of internal inductance and normalized beta values consistent with NSTX/NSTX-U previous/planned operation, (3) a long-legged divertor analogous to the MAST-U divertor which substantially reduces projected peak divertor heat-flux and has all outboard poloidal field coils outside the vacuum chamber and superconducting to reduce power consumption, and (4) a vertical maintenance scheme in which blanket structures and the centerstack can be removed independently. Progress in these ST-FNSF missions versus configuration studies including dependence on plasma major radius R 0 for a range 1 m–2.2 m are described. In particular, it is found the threshold major radius for TBR = 1 is ${{R}_{0}}\geqslant 1.7$ m, and a smaller R 0 = 1 m ST device has TBR ≈ 0.9 which is below unity but substantially reduces T consumption relative to not breeding. Calculations of neutral beam heating and current drive for non-inductive ramp-up and sustainment are described. An A = 2, R = 3 m device incorporating high-temperature superconductor toroidal field coil magnets capable of high neutron fluence and both tritium and electrical self-sufficiency is also presented following systematic aspect ratio studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Matter-wave propagation in optical lattices: geometrical and flat-band effects

Here we report that the geometry of optical lattices can be engineered allowing the study of atomic transport along paths arranged in patterns that are otherwise difficult to probe in the solid state. A question feasible to atomic systems is related to the speed of propagation of matter-waves as a function of the lattice geometry. To address this issue, we have investigated theoretically the quantum transport of non-interacting and weakly-interacting ultracold fermionic atoms in several 2D optical lattice geometries. We find that the triangular lattice has a higher propagation velocity compared to the square lattice, and the cross-linked square lattice has an even faster propagation velocity. The increase results from the mixing of the momentum states which leads to different group velocities in quantum systems. Standard band theory provides an explanation and allows for a systematic way to search and design systems with controllable matter-wave propagation. Moreover, the presence of a flat band such as in a two-leg ladder geometry leads to a dynamical density discontinuity due to its localized atoms. Lastly, we discuss possible realizations of those dynamical phenomena.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Characterizing gravitational wave detector networks: from A # to cosmic explorer

Gravitational-wave observations by the laser interferometer gravitational-wave observatory (LIGO) and Virgo have provided us a new tool to explore the Universe on all scales from nuclear physics to the cosmos and have the massive potential to further impact fundamental physics, astrophysics, and cosmology for decades to come. In this paper we have studied the science capabilities of a network of LIGO detectors when they reach their best possible sensitivity, called A # , given the infrastructure in which they exist and a new generation of observatories that are factor of 10 to 100 times more sensitive (depending on the frequency), in particular a pair of L-shaped cosmic explorer (CE) observatories (one 40 km and one 20 km arm length) in the US and the triangular Einstein telescope with 10 km arms in Europe. We use a set of science metrics derived from the top priorities of several funding agencies to characterize the science capabilities of different networks. The presence of one or two A # observatories in a network containing two or one next generation observatories, respectively, will provide good localization capabilities for facilitating multimessenger astronomy (MMA) and precision measurement of the Hubble parameter. Two CE observatories are indispensable for achieving precise localization of binary neutron star events, facilitating detection of electromagnetic counterparts and transforming MMA. Their combined operation is even more important in the detection and localization of high-redshift sources, such as binary neutron stars, beyond the star-formation peak, and primordial black hole mergers, which may occur roughly 100 million years after the Big Bang. The addition of the Einstein Telescope to a network of two CE observatories is critical for accomplishing all the identified science metrics including the nuclear equation of state, cosmological parameters, the growth of black holes through cosmic history, but also make new discoveries such as the presence of dark matter within or around neutron stars and black holes, continuous gravitational waves from rotating neutron stars, transient signals from supernovae, and the production of stellar-mass black holes in the early Universe. For most metrics the triple network of next generation terrestrial observatories are a factor 100 better than what can be accomplished by a network of three A # observatories.

Einstein telescope↗

DOE OSTI2019

Spatially-periodic microplasmas in complex microchannel networks: wall-plasma interactions and dynamic behavior

Wall-plasma interactions have been observed for spatially-periodic microplasmas generated in 300–700 µm wide channels fabricated in nanoporous alumina. Examination of Ne microplasma discs produced in a standing-wave pattern in Al 2 O 3 channels illustrates the competition between electron production at the sheath-wall interface and loss by recombination in an atmospheric pressure background. Two topologies of the microplasma arrays are observed. For channel widths (d) less than 450 µm, the microplasmas are generally centered in the channel and sustained by electron generation at both plasma sheath/channel wall interfaces, presumably including the release of charge residing in the hexagonal alumina pores. As d is progressively increased from 300 to 450 µm, the microchannel plasma cross-section is gradually transformed from circular to elliptical, and its surface area declines by as much as 50% so as to minimize e - losses to the background gas. Increasing d above ~450 µm abruptly switches the topology to one in which plasmas having a triangular cross-section attach to one of the channel walls in a pattern that alternates along the channel axis. Microfabricating trapezoidal cross-section channels into complex geometries, including the Cornu spiral and intersecting linear arrays, also reveals dynamic behavior in the propagation of microplasmas. For a common spiral structure, observations of plasma expansion show the wavefront propagates over the corrugated surface or within the channel with radial and azimuthal velocities of 3 ± 1 km s -1 and 8 ± 1.5 km s -1 , respectively. Plasma formation is initiated in each ring of the spiral through electron seeding by streamers propagating radially outward at velocities approaching 200 km s -1 . In addition to electrostatic charge-mediated variations in the mean separation between adjacent microplasmas, the time-dependent interference between two 1D microplasma arrays has been observed during plasma expansion. Reproducible ignition of a microplasma ensemble along ridges micromachined into channels near the intersections of two linear arrays has also been realized. The results reported here demonstrate that microchannels with the walls overcoated with any of a variety of materials provide a promising platform for examining in detail the interaction of low temperature plasma with a surface of arbitrary composition and topography.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO 2

NaNiO 2 is a Ni 3+ -containing layered material consisting of alternating triangular networks of Ni and Na cations, separated by octahedrally-coordinated O anions. At ambient pressure, it features a collinear Jahn–Teller distortion below $T^{JT}_{onset} ≈ 480$ K, which disappears in a first-order transition on heating to $T^{JT}_{onset} ≈ 500$ K, corresponding to the increase in symmetry from monoclinic to rhombohedral. It was previously studied by variable-pressure neutron diffraction (Nagle-Cocco et al 2022 ACS Inorg. Chem. 61 4312) and found to exhibit an increasing $T^{JT}_{onset}$ with pressure up to ∼5 GPa. In this work, powdered NaNiO 2 was studied via variable-pressure synchrotron x-ray diffraction up to pressures of ∼67 GPa at 294 K and 403 K. Suppression of the collinear Jahn–Teller ordering is observed via the emergence of a high-symmetry rhombohedral phase, with the onset pressure occurring at ∼18 GPa at both studied temperatures. Further, a discontinuous decrease in unit cell volume is observed on transitioning from the monoclinic to the rhombohedral phase. These results taken together suggest that in the vicinity of the transition, application of pressure causes the Jahn–Teller transition temperature, $T^{JT}_{onset}$, to decrease rapidly. We conclude that the pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO 2 is dome-like.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Sliding dynamics of skyrmion molecular crystals

Using both atomistic and particle-based simulations, we investigate the current-driven dynamics of skyrmions on two-dimensional periodic substrates when there are multiple skyrmions per substrate minimum. At zero drive, the system forms pinned skyrmion molecular crystal states consisting of dimers, trimers, or dimer-trimer mixtures that have both positional and orientational order. On a square substrate lattice, the motion above depinning occurs via a running soliton that travels completely transverse to the applied current. This motion is generated by a torque from the Magnus force, which rotates the n-mer states perpendicular to the applied current. At higher drives, the flow becomes disordered while the Hall angle diminishes and gradually approaches the intrinsic value. In some cases, we also find directional locking where the Hall angle becomes locked to certain symmetry directions of the substrate over a range of currents. The transitions into and out of directionally locked states are accompanied by negative differential mobility in which the net velocity decreases as the drive increases. In conclusion, on a triangular substrate, we find no transverse mobility effects, but still observe directionally locked motion.

36 MATERIALS SCIENCE↗

DOE OSTI2026

First principles band structure of interacting phosphorus and boron/aluminum δ -doped layers in silicon

Silicon can be heavily doped with phosphorus in a single atomic layer (a δ layer), significantly altering the electronic structure of the conduction bands within the material. Recent progress has also made it possible to further dope silicon with acceptor-based δ layers using either boron or aluminum, making it feasible to create devices with interacting δ layers with opposite polarity. Using density functional theory, we calculate the electronic structure of a phosphorus-based δ layer interacting with a boron or aluminum δ layer, varying the distances between the δ layers. At separations 1 nm and smaller, the dopant potentials overlap and largely cancel each other out, leading to an electronic structure closely mimicking intrinsic silicon. At separations greater than 1 nm, the two δ layers behave independently of one another, with an equivalent electronic structure to a p–n diode with an intrinsic layer taking the place of the depletion region. One mechanism for charge transfer between δ layers at larger distances could be tunneling, where we see a tunneling probability exceeding what would be seen for a standard silicon 1.1 eV triangular barrier, indicating that the interaction between delta layers may enhance tunneling compared to a traditional junction.

delta layers↗

DOE OSTI2017

Nanoscale dislocation shear loops at static equilibrium and finite temperature

Atomistic simulations are used to determine the resolved shear stress necessary for equilibrium and the resulting geometry of nanoscale dislocation shear loops in Al. Dislocation loops with different sizes and shapes are created via superposition of elemental triangular dislocation displacement fields in the presence of an externally imposed shear stress. First, a bisection algorithm is developed to determine systematically the resolved shear stress necessary for equilibrium at 0 K. Here, this approach allows for the identification of dislocation core structure and a correlation between dislocation loop size, shape and the computed shear stress for equilibrium. It is found, in agreement with predictions made by Scattergood and Bacon, that the equilibrium shape of a dislocation loop becomes more circular with increasing loop size. Second, the bisection algorithm is extended to study the influence of temperature on the resolved shear stress necessary for stability. An approach is presented to compute the effective lattice friction stress, including temperature dependence, for dislocation loops in Al. The temperature dependence of the effective lattice friction stress can be reliably computed for dislocation loops larger than 16.2 nm. However, for dislocation loops smaller than this threshold, the effective lattice friction stress shows a dislocation loop size dependence caused by significant overlap of the stress fields on the interior of the dislocation loops. Combined, static and finite temperature atomistic simulations provide essential data to parameterize discrete dislocation dynamics simulations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

Creating metamaterial building blocks with directed photochemical metallization of silver onto DNA origami templates

Here, DNA origami can be used to create a variety of complex and geometrically unique nanostructures that can be further modified to produce building blocks for applications such as in optical metamaterials. We describe a method for creating metal-coated nanostructures using DNA origami templates and a photochemical metallization technique. Triangular DNA origami forms were fabricated and coated with a thin metal layer by photochemical silver reduction while in solution or supported on a surface. The DNA origami template serves as a localized photosensitizer to facilitate reduction of silver ions directly from solution onto the DNA surface. The metallizing process is shown to result in a conformal metal coating, which grows in height to a self-limiting value with increasing photoreduction steps. Although this coating process results in a slight decrease in the triangle dimensions, the overall template shape is retained. Notably, this coating method exhibits characteristics of self-limiting and defect-filling growth, which results in a metal nanostructure that maps the shape of the original DNA template with a continuous and uniform metal layer and stops growing once all available DNA sites are exhausted.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Neural network based prediction of no-wall β N limits due to ideal external kink instabilities

Multi-layer perceptron based neural networks (NNs) are trained to predict the Troyon no-wall beta limits due to the onset of low-n (n = 1 – 3, n is the toroidal mode number) ideal external kink instabilities in tokamak plasmas. It is revealed that a well-trained NN can predict the n = 1 no-wall beta limit within 10% relative error. The NN performance is somewhat worse for the n = 2 and 3 no-wall beta limits, but still a relative error within 20% is achievable. The trained NNs well reproduce the known dependences of the no-wall beta limits on the plasma pressure (pressure peaking factor) and current (plasma internal inductance) profiles. Other scalings are further easily established with NNs, for parametric dependences such as on the aspect ratio, the elongation and triangularity of the plasma boundary shape. These NN-based Troyon beta limit predictors can be incorporated into integrated modeling platforms, or directly implemented as a real time stability estimator for the purpose of disruption avoidance or mitigation during experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Plasma performance and operational space without ELMs in DIII-D

A database of DIII-D plasmas without ELMs compares the operating space and plasma performance of stationary no-ELM regimes: RMP-ELM suppression, QH-mode, I-mode, EDA H-mode, L-mode, and negative triangularity L-mode (Neg-D). Here, operational space is documented in terms of engineering and physics parameters, revealing divergent constraints. Some operational space discriminants (like pedestal collisionality) are well known, while others, such as low torque & safety factor, or high power & density, are less commonly emphasized. Normalized performance (H-factor and betan) also discriminate the no-ELM regimes and favor regimes tolerant to power in DIII-D: RMP, QH, and Neg-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

NBI optimization on SMART and implications for scenario development

Abstract The SMall Aspect Ratio Tokamak (SMART) under commissioning at the University of Seville, Spain, aims to explore confinement properties and possible advantages in confinement for compact/spherical tokamaks operating at negative vs. positive triangularity. This work explores the benefits of auxiliary heating through Neutral Beam Injection (NBI) for SMART scenarios beyond the initial Ohmic phase of operations, in support of the device’s mission. Expected values of electron and ion temperature achievable with NBI heating are first predicted for the current flat-top phase, including modeling to optimize the NBI injection geometry to maximize NBI absorption and minimize losses for a given equilibrium. Simulations are then extended for a selected case to cover the current ramp-up phase. Differences with results obtained for the flat-top phase indicate the importance of determining the plasma evolution over time, as well as self-consistently determining the edge plasma parameters for reliable time-dependent simulations. Initial simulation results indicate the advantage of auxiliary NBI heating to achieve nearly double values of pressure and stored energy compared to Ohmic discharges, thus significantly increasing the device’s performance. The scenarios developed in this work will also contribute to diagnostic development and optimization for SMART, as well as providing test cases for initial predictions of macro- and micro-instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

First DIII-D-West hybrid scenario similarity experiments for iter-relevant long-pulse operation

For the first time, similarity experiments between DIII-D and WEST were performed in the ITER "hybrid-like" regime during dedicated campaigns in April and May 2025. The matched parameters include elongation, triangularity, ion ∇B drift direction toward the X-point, qprofile, and core normalized physics quantities in terms of normalized pressure, normalized gyroradius, electron collisionality, ratio of ion to electron temperature, T i /T e . Core transport physics is explored with different aspect ratio (R/a) values (typically 3 at DIII-D and 5 on WEST). DIII-D explored high-beta conditions (electromagnetic effect) with low torque injection (~0 ± 0.5 N•m) using high heating power (up to 6 MW NBI and 2 MW ECRH powers), while scanning the heating mix (ion vs electron), beta, T i /T e , core radiation via controlled tungsten injection using the Laser Blow-Off system. WEST extended operation toward long-duration pulses using its actively cooled tungsten divertor, achieving dominated electron heating regimes with reduced tungsten contamination. Boron impurity injection were scanned on WEST to control edge conditions and core performance. It is found that core confinement improves-manifested by higher electron temperature, total energy content, neutron rate, and ion temperatureunder conditions of low separatrix density, consistent with previous observations [Bourdelle et al., Nucl. Fusion 63 (2023) 056021]. Conditions for Hmode access and for ion heating in electron-dominated regimes in both WEST and DIII-D will be discussed and compared. The ratio of the thermal energy confinement time (τ E ) to the volume-averaged electron-ion collisional heat exchange time (τ e-i ) is a key parameter to enhance ion heating and potentially facilitate H-mode access in electron-heated regimes. These first-of-a-kind coordinated DIII-D and WEST experiments provide a unique multi-machine dataset to validate predictive models and to optimize ITER hybrid-scenario performance under diverse core and edge conditions.

DIII-D↗

DOE OSTI2018

Time-domain imaging of gigahertz surface waves on an acoustic metamaterial

We extend time-domain imaging in acoustic metamaterials to gigahertz frequencies. Using a sample consisting of a regular array of ~1 μm diameter silica microspheres forming a two-dimensional triangular lattice on a substrate, we implement an ultrafast technique to probe surface acoustic wave propagation inside the metamaterial area and incident on the metamaterial from a region containing no microspheres, which reveals the acoustic metamaterial dispersion, the presence of band gaps and the acoustic transmission properties of the interface. Here, a theoretical model of this locally resonant metamaterial based on normal and shear-rotational resonances of the spheres fits the data well. Using this model, we show analytically how the sphere elastic coupling parameters influence the gap widths.

42 ENGINEERING↗