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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A gyrokinetic simulation model for 2D equilibrium potential in the scrape-off layer of a field-reversed configuration

The equilibrium potential structure in the scrape-off layer (SOL) of the field-reversed configuration (FRC) can be affected by the penetration of edge biasing applied at the divertor ends. The primary focus of the paper is to establish a formulation that accurately captures both parallel and radial variations of the two-dimensional (2D) potential in SOL. The formulation mainly describes a quasi-neutral plasma with a logical sheath boundary. A full-f gyrokinetic ion model and a massless electron model are implemented in the GTC-X code to solve for the self-consistent equilibrium potential, given fixed radial potential profiles at the boundaries. The first essential point of this 2D model lies in its ability to couple radial and parallel dynamics stemming from resistive currents and drag force on ions. The model successfully recovers the fluid force balance and continuity equations. These collisional effects on 2D potential mainly appear through the density profile changes, modifying the potential through electron pressure gradient. This means an accurate prescription of electron density and temperature profiles is important in predicting the potential structure in the FRC SOL. The Debye sheath potential and the potential profiles applied at the boundaries can be additional factors contributing to the 2D variations in SOL. This comprehensive full-f scheme holds promise for future investigations into turbulent transport in the presence of the self-consistent 2D potential together with the non-Maxwellian distributions and open boundary conditions in the FRC SOL.

Physics↗
DOE OSTI2024

Effect of fabrication processes on BaTiO 3 capacitor properties

There is an increasing desire to utilize complex functional electronic materials such as ferroelectrics in next-generation microelectronics. As new materials are considered or introduced in this capacity, an understanding of how we can process these materials into those devices must be developed. Here, the effect of different fabrication processes on the ferroelectric and related properties of prototypical metal oxide (SrRuO 3 )/ferroelectric (BaTiO 3 )/metal oxide (SrRuO 3 ) heterostructures is explored. Two different types of etching processes are studied, namely, wet etching of the top SrRuO 3 using a NaIO 4 solution and dry etching using an Ar + -ion beam (i.e., ion milling). Polarization-electric-field hysteresis loops for capacitors produced using both methods are compared. For the ion-milling process, it is found that the Ar + beam can introduce defects into the SrRuO 3 /BaTiO 3 /SrRuO 3 devices and that the milling depth strongly influences the defect level and can induce a voltage imprint on the function. Realizing that such processing approaches may be necessary, work is performed to ameliorate the imprint of the hysteresis loops via ex situ “healing” of the process-induced defects by annealing the ferroelectric material in a barium-and-oxygen-rich environment via a chemical-vapor-deposition-style process. This work provides a pathway for the nanoscale fabrication of these candidate materials for next-generation memory and logic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The crucial role of diagnostics in achieving ignition on the National Ignition Facility (NIF)

Well over 100 diagnostics can operate on the National Ignition Facility (NIF) as a result of several decades of development on NIF, and before that on Nova, OMEGA, and earlier LLNL lasers. A subset of these have guided the approach to achieving ignition on the NIF in 2022 [H. Abu-Shawareb et al. (Indirect Drive ICF Collaboration), Phys. Rev. Lett. 129(7), 075001 (2022)]. Achieving ignition on NIF has required many types of experiments with this core set of diagnostics, some constraining known unknowns and some revealing surprises—arguably unknown unknowns. Early design work realized that the extreme precision required for ignition on NIF would require fine-tuning by experiment, that is, measuring and adjusting known unknowns. Many examples are given where the use of the core set of ignition diagnostics in experimental arrangements called platforms demonstrated control of the key theoretical parameters defined as shape, adiabat, velocity, and mix. The direction of the adjustments to input conditions is found either by trend analysis or, in many cases, by observing from the diagnostic data the direction to make an adjustment. In addition, diagnostics have revealed some unexpected or neglected known issues, which degrade performance, or unexpected issues, unknown unknowns. Some of these factors had been previously considered, but underestimated or difficult to calculate at the time. The overall methodology can be described as a variant of Popper's falsifiability philosophy [K. Popper, The Logic of Scientific Discovery (Hutchinson, 1974)]. This paper summarizes the role of ignition diagnostics in terms of falsification or validation of theory or experimental setup as well as uncovering unexpected issues. The journey to ignition started in the seventies with a 1-µm wavelength laser producing disastrous results. Diagnostics have guided us to the recent multi-decadal goal of demonstrating ignition and burn in the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Drift kinetic electrostatic simulations of the edge localized mode heat pulse

In the present work, electrostatic drift kinetic simulations of parallel plasma transport within the tokamak scrape-off layer (SOL) are conducted using the COGENT code. The SOL configuration is represented in one-dimensional slab geometry, incorporating a heat source localized in the midplane. The heat source parameters correspond to those characterizing edge-localized modes observed in the Joint European Torus (JET) tokamak. The numerical model includes kinetic treatment of both ions and electrons, a simplified model for the gyrokinetic Poisson equation that allows one to step over short time scales associated with fast electrostatic shear Alfvèn waves, and the logical sheath boundary condition (LSBC) that enforces global system quasineutrality. A third-order accurate LSBC is derived to be consistent with the third-order accurate upwind advection scheme utilized in the code, and it was shown to noticeably impact the simulation results, especially parallel heat flux at the target plate. The findings of this study are in agreement with results from preceding fluid and kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Harnessing ferro-valleytricity in pentalayer rhombohedral graphene for memory and compute

Two-dimensional materials with multiple degrees of freedom, including spin, valleys, and orbitals, open up an exciting avenue for engineering multifunctional devices. Beyond spintronics, these degrees of freedom can lead to novel quantum effects such as valley-dependent Hall effects and orbital magnetism, which could revolutionize next-generation electronics. However, achieving independent control over valley polarization and orbital magnetism has been a challenge due to the need for large electric fields. A recent breakthrough involving pentalayer rhombohedral graphene has demonstrated the ability to individually manipulate anomalous Hall signals and orbital magnetic hysteresis, forming what is known as a valley-magnetic quartet. Here, we leverage the electrically tunable ferro-valleytricity of pentalayer rhombohedral graphene to develop nonvolatile memory and in-memory computation applications. We propose an architecture for a dense, scalable, and selector-less nonvolatile memory array that harnesses the electrically tunable ferro-valleytricity. In our designed array architecture, nondestructive read and write operations are conducted by sensing the valley state through two different pairs of terminals, allowing for independent optimization of read/write peripheral circuits. The power consumption of our PRG-based array is remarkably low, with only ∼6 nW required per write operation and ∼2.3 nW per read operation per cell. This consumption is orders of magnitude lower than that of the majority of state-of-the-art cryogenic memories. Additionally, we engineer in-memory computation by implementing majority logic operations within our proposed nonvolatile memory array without modifying the peripheral circuitry. In conclusion, our framework presents a promising pathway toward achieving ultra-dense cryogenic memory and in-memory computation capabilities.

2D materials↗
DOE OSTI2025

Structural properties and recrystallization effects in ion beam modified B20-type FeGe films

Disordered iron germanium (FeGe) has recently garnered interest as a testbed for a variety of magnetic phenomena as well as for use in magnetic memory and logic applications. This is partially owing to its ability to host skyrmions and antiskyrmions—nanoscale whirlpools of magnetic moments that could serve as information carriers in spintronic devices. In particular, a tunable skyrmion–antiskyrmion system may be created through precise control of the defect landscape in B20-phase FeGe, motivating the development of methods to systematically tune disorder in this material and understand the ensuing structural properties. To this end, we investigate a route for modifying magnetic properties in FeGe. In particular, we irradiate epitaxial B20-phase FeGe films with 2.8 MeV Au 4+ ions, which creates a dispersion of amorphized regions that may preferentially host antiskyrmions at densities controlled by the irradiation fluence. To further tune the disorder landscape, we conduct a systematic electron diffraction study with in situ annealing, demonstrating the ability to recrystallize controllable fractions of the material at temperatures ranging from ~150 to 250°C. Finally, we describe the crystallization kinetics using the Johnson–Mehl–Avrami–Kolmogorov model, finding that the growth of crystalline grains is consistent with diffusion-controlled one-to-two dimensional growth with a decreasing nucleation rate.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Direct measurement of reduced exchange stiffness and its impact on magnetic vortex behavior in PyGd alloys

Thin films composed of sputtered transition metal/rare earth (TM/RE) ferrimagnets have emerged as promising building blocks for future spintronic devices, offering tunable magnetic properties critical for data storage, memory, and logic applications. However, understanding how the combination of TM and RE elements influences effective magnetic properties, such as exchange stiffness (Aex), remains challenging. Magnetic vortices provide a versatile tool for probing these properties in thin film systems. By combining magnetic imaging via soft x-ray microscopy and micromagnetic modeling, we quantify the effective exchange stiffness in PyGd ferrimagnetic disks with varying Gd concentrations. Our results indicate a reduction in Aex to below 3 pJ/m for a 20% Gd concentration when compared to reference Py, and values below 2 pJ/m for 30% Gd, reflecting weak Ni–Gd exchange coupling. These findings highlight the critical role of rare earth content in tuning the exchange stiffness. The reduced exchange stiffness facilitates a linear field response of the magnetization up to the edge of the disk, as well as significant deformations in the vortex core itself when compared to films with larger Aex. Our results are in line with, albeit lower than, recent measurements of the exchange stiffness in intermixed PyGd. This reduced exchange stiffness has implications for the development of spintronic devices based on ferrimagnetic skyrmions.

Jacob, Liyan↗
DOE OSTI2025

A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations

We report on a methodology for performing laser ray-tracing in three spatial dimensions for radiation-hydrodynamics simulation codes. Our method, which is an extension of that developed in Haines et al., Comput. Fluids 201, 104478 (2020), utilizes an automatically generated separate mesh for the laser ray-tracing from the radiation-hydrodynamics mesh. This enables the laser mesh to be tailored to minimize ray noise with significantly fewer rays than would be required when the ray-tracing is performed on the radiation-hydrodynamics mesh, primarily by allowing the use of high-aspect-ratio cells that are not suitable for hydrodynamics solvers. For a planar target, we show that our method provides a ≈ 100× reduction in computational expense to achieve a fixed level of ray noise relative to ray-tracing directly on the radiation-hydrodynamics mesh. The relatively low ray requirement also enables efficient computation of cross-beam energy transfer. Each cell in the logically cubic laser mesh is a non-convex dodecahedron with triangular sides, and numerical integration of the ray trajectories and inverse bremsstrahlung is performed by mapping each cell to the unit cube. We will describe our methodology in detail as well as its implementation in the xRAGE radiation-hydrodynamics code, discuss performance, and present the results from applying the methodology to test problems with analytic solutions for laser ray-tracing through a quadratic density gradient with an analytic solution as well as for a laser-driven heat front. In 3D radiation-hydrodynamics simulations of laser-driven experiments performed on the National Ignition Facility, laser ray-tracing with our methodology uses less than 1% of total computational time while introducing acceptably low levels of ray noise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Orbit-averaging and deposition accuracy for runaway electron beams in hybrid kinetic-MHD simulations of the runaway plateau

We develop a new procedure that combines the kinetic orbit runaway electron code (KORC) and the NIMROD extended-magnetohydrodynamic code to simulate runaway electrons (REs) in the post-disruption plateau. KORC integrates guiding-center orbits, with a barycentric-based binary search strategy providing initial guesses for the Newton–Raphson logical-to-physical coordinate inversion, ensuring reliable particle-to-mesh mapping in NIMROD, whose fields remain static for the present study. Samples are drawn in accord with experimental parallel current profiles of RE beams during the plateau phase. Deposition in NIMROD is verified through comparison with a Python-based finite-element code that ensures periodicity in the poloidal direction and continuity at the magnetic axis. Accurate representation of near-axis fields requires finer mesh resolution to prevent under- and overshoots in current density from orbit inaccuracies. Yet, at a fixed particle count, increasing mesh resolution amplifies statistical noise in the deposited fields. An orbit-averaging method accumulates partial current deposits over multiple kinetic steps and reduces the statistical noise with little added computational cost. By coupling kinetic routines from KORC directly into the NIMROD codebase, these developments lay essential groundwork for future self-consistent KORC–NIMROD coupling.

Algorithms and data structure↗
DOE OSTI2025

InAs sidewall tunnel diodes enabled by surface states

Negative differential resistance (NDR), where the device current decreases with increasing bias voltage, is a representative phenomenon where quantum mechanics induces counterintuitive physical behavior and offers promising applications such as high-frequency oscillators, amplifiers, and multilevel logic circuits. While the NDR behavior has been extensively studied in various materials and devices, the role of surface properties in NDR, particularly in InAs-based diodes, remains underexplored. In this work, we report the observation of NDR in vertically structured InAs p + n diodes that exhibit a peak-valley current ratio of ∼6, which is suitably high for applications. Circumference-normalized current–voltage characterization revealed that the NDR originates from band-to-band tunneling between the valence band of p + -InAs and the conduction band of an n + -InAs surface, where the n + surface is due to surface states on otherwise n − -InAs. In addition, by comparing devices with various surface passivation methods (without intentional passivation, benzocyclobutene polymer, and silicon nitride), we found that the surface termination significantly affects the NDR characteristics. We present an equivalent circuit model to explain the observed device behavior. These findings offer insights into surface-enabled NDR phenomena and present new knobs for engineering NDR devices.

Circuit theorems↗
DOE OSTI2025

Injection locking and coupling dynamics in superconducting nanowire-based cryogenic oscillators

Oscillators designed to function at cryogenic temperatures play a critical role in superconducting electronics and quantum computing by providing stable, low-noise signals with minimal energy loss. Here, in this work, we present a comprehensive numerical study of injection locking and mutual coupling dynamics in superconducting nanowire (ScNW)-based cryogenic oscillators. Using the design space of a standalone ScNW-based oscillator, we investigate two critical mechanisms that govern frequency synchronization and signal coordination in cryogenic computing architectures: (1) injection locking induced by an external AC signal with a frequency near the oscillator's natural frequency, and (2) the mutual coupling dynamics between two ScNW oscillators under varying coupling strengths. We identify key design parameters—such as shunt resistance, nanowire inductance, and coupling strength—that govern the locking range. Additionally, we examine how the amplitude of the injected signal affects the amplitude of the locked oscillation, offering valuable insights for power-aware oscillator synchronization. Furthermore, we analyze mutual synchronization between coupled ScNW oscillators using capacitive and resistive coupling elements. Our results reveal that the phase difference between oscillators can be controlled by tuning the coupling strength, enabling programmable phase-encoded information processing. These findings could enable building ScNW-based oscillatory neural networks, synchronized cryogenic logic blocks, and on-chip cryogenic resonator arrays.

Artificial neural networks↗
DOE OSTI2026

Polynomial-time preparation of low-temperature Gibbs states for two-dimensional toric code

In this work, we propose a polynomial-time algorithm for preparing the Gibbs state of the two-dimensional toric code Hamiltonian at any temperature, starting from any initial state, significantly improving upon prior estimates that suggested exponential scaling with inverse temperature. We prove that fast mixing at low temperature for the two-dimensional toric code can be achieved by augmenting local jump operators with simple global jump operators, which enable efficient transitions between logical sectors. To establish tight lower bounds on the spectral gap, we introduce a new reduction method that eventually maps the problem to estimating the spectral gap of a perturbed graph Laplacian on a stair graph. Our proof also shows that the Lindblad dynamics with a digitally implemented low-temperature local Davies generator is able to efficiently drive the quantum state toward the ground state manifold.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Magnetic force microscopy revealing long-range room temperature stable molecule bridge-induced magnetic ordering on magnetic tunnel junction (MTJ) pillars

Magnetic tunnel junctions (MTJs) can integrate novel single molecular device elements to overcome long-standing fabrication challenges, thus unlocking their novel potential. This study employs magnetic force microscopy (MFM) to demonstrate that organometallic molecules, when placed between two ferromagnetic electrodes along cross-junction shaped MTJ edges, dramatically altered the magnetic properties of the electrodes, affecting areas several hundred microns in size around the molecular junction vicinity at room temperature. These findings are supported by magnetic resonance and magnetometer studies on ∼7000 MTJ pillars. MFM on the pillar sample showed an almost complete disappearance of the magnetic contrast. The spatial magnetic image suggests that molecular channels significantly impacted the spin density of states in the ferromagnetic electrodes. This advancement in MTJ-based molecular devices paves the way for a new generation of commercially viable logic and memory devices controlled by molecular quantum states at near-room temperatures.

Tyagi, Pawan (ORCID:0000000275411344)↗
DOE OSTI2021

Operando characterization of conductive filaments during resistive switching in Mott VO 2

Significance To perform hardware-based neuromorphic computing, novel materials exhibiting a wide variety of electronic properties are currently being explored. VO 2 is well known to exhibit an insulator-to-metal transition as well as volatile resistive switching. Many questions regarding the basic mechanism of the nonvolatile switching in this material are unanswered. In this work, the formation and relaxation of conductive filaments through nonvolatile resistive switching in VO 2 devices have been realized. The V 5 O 9 Magnéli phase conductive filament has been identified. Our results demonstrate that both resistive switching behaviors can be achieved in a single material, crucial for future technology like resistive switching memories or neuromorphic logic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Synthetically non-Hermitian nonlinear wave-like behavior in a topological mechanical metamaterial

Topological mechanical metamaterials have enabled new ways to control stress and deformation propagation. Exemplified by Maxwell lattices, they have been studied extensively using a linearized formalism. Herein, we study a two-dimensional topological Maxwell lattice by exploring its large deformation quasi-static response using geometric numerical simulations and experiments. We observe spatial nonlinear wave-like phenomena such as harmonic generation, localized domain switching, amplification-enhanced frequency conversion, and solitary waves. We further map our linearized, homogenized system to a non-Hermitian, nonreciprocal, one-dimensional wave equation, revealing an equivalence between the deformation fields of two-dimensional topological Maxwell lattices and nonlinear dynamical phenomena in one-dimensional active systems. Our study opens a regime for topological mechanical metamaterials and expands their application potential in areas including adaptive and smart materials and mechanical logic, wherein concepts from nonlinear dynamics may be used to create intricate, tailored spatial deformation and stress fields greatly transcending conventional elasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Engineering activatable promoters for scalable and multi-input CRISPRa/i circuits

Dynamic, multi-input gene regulatory networks (GRNs) are ubiquitous in nature. Multilayer CRISPR-based genetic circuits hold great promise for building GRNs akin to those found in naturally occurring biological systems. We develop an approach for creating high-performing activatable promoters that can be assembled into deep, wide, and multi-input CRISPR-activation and -interference (CRISPRa/i) GRNs. By integrating sequence-based design and in vivo screening, we engineer activatable promoters that achieve up to 1,000-fold dynamic range in an Escherichia coli-based cell-free system. These components enable CRISPRa GRNs that are six layers deep and four branches wide. We show the generalizability of the promoter engineering workflow by improving the dynamic range of the light-dependent EL222 optogenetic system from 6-fold to 34-fold. Additionally, high dynamic range promoters enable CRISPRa systems mediated by small molecules and protein–protein interactions. We apply these tools to build input-responsive CRISPRa/i GRNs, including feedback loops, logic gates, multilayer cascades, and dynamic pulse modulators. Our work provides a generalizable approach for the design of high dynamic range activatable promoters and enables classes of gene regulatory functions in cell-free systems.

42 ENGINEERING↗
DOE OSTI2023

Dual-rail encoding with superconducting cavities

The design of quantum hardware that reduces and mitigates errors is essential for practical quantum error correction (QEC) and useful quantum computation. To this end, we introduce the circuit-Quantum Electrodynamics (QED) dual-rail qubit in which our physical qubit is encoded in the single-photon subspace, { | 01 〉 , | 10 〉 } , of two superconducting microwave cavities. The dominant photon loss errors can be detected and converted into erasure errors, which are in general much easier to correct. In contrast to linear optics, a circuit-QED implementation of the dual-rail code offers unique capabilities. Using just one additional transmon ancilla per dual-rail qubit, we describe how to perform a gate-based set of universal operations that includes state preparation, logical readout, and parametrizable single and two-qubit gates. Moreover, first-order hardware errors in the cavities and the transmon can be detected and converted to erasure errors in all operations, leaving background Pauli errors that are orders of magnitude smaller. Hence, the dual-rail cavity qubit exhibits a favorable hierarchy of error rates and is expected to perform well below the relevant QEC thresholds with today’s coherence times.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Energetic and structural control of polyspecificity in a multidrug transporter

Multidrug efflux pumps are dynamic molecular machines that drive antibiotic resistance by harnessing ion gradients to export chemically diverse substrates. Despite their clinical importance, the molecular principles underlying multidrug promiscuity and energy efficiency remain poorly understood. Using multiparametric deep mutational scanning across eight substrates and two energy conditions, we deconvolute the contributions of substrate recognition, energetic coupling, and protein stability, providing an integrated, high-resolution view of multidrug transport. We find that substrate specificity arises from a distributed network of residues extending beyond the binding site, with mutations that reshape binding, coupling, conformational flexibility, and membrane interactions. Further, we apply a pH-based selection scheme to measure the effect of mutation on pH-dependent transport efficiency. By integrating these data, we reveal a fundamental relationship between efficiency and promiscuity: Highly efficient variants exhibit broad substrate profiles, while inefficient variants are narrower. In conclusion, these findings establish a direct link between energy coupling and polyspecificity, uncovering the biochemical logic underlying multidrug transport.

Biological Sciences↗