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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Frustration-mediated crossover from long-range to short-range magnetic ordering in Y 1 – x L u x BaC o 4 O 7

The R⁢BaC⁢o 4⁢ O 7 system is a prototype geometrically frustrated magnet in which kagome planes and triangular layers of Co-O tetrahedra interleave. For R=Y, an antiferromagnetic ground state is realized due to a frustration-breaking trigonal-orthorhombic phase transition. For R = Lu, however, a long-range ordered state has rarely, if ever, been reported despite a similar symmetry-breaking transition, albeit at a significantly lower temperature. To explore this dichotomy, we present a comprehensive magnetic and structural phase diagram for Y 1-x L⁢u x BaC⁢o 4 ⁢O 7 , established through complementary neutron diffraction and magnetization measurements. Our results outline the phase evolution of the nuclear structures in response to changes in composition and temperature. Further, the temperature of the trigonal (P⁢31⁢c) to orthorhombic (Pbn⁢2 1 ) transition, T s⁢1 , decreases monotonically with increasing Lu content from 310 K for x = 0.0 to 110 K for x = 1.0. In Lu-rich compositions (0.7 ≤ x ≤ 1.0), first-order structural transitions are observed with coexisting and competing orthorhombic Pbn⁢2 1 and metastable monoclinic Cc phases. For the magnetically ordered Y-rich compositions, T- and x-dependent refinements of the magnetic structure reveal an antiferromagnetic “ribbonlike” arrangement of Co spin pairs in both the triangular and the kagome layers. A gradual suppression of long-range magnetic order is observed with increasing the Lu content, accompanied by the development of short-range magnetic correlations present in all the samples.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Phonon spectra of a two-dimensional solid dusty plasma modified by two-dimensional periodic substrates

Here, phonon spectra of a two-dimensional (2D) solid dusty plasma modulated by 2D square and triangular periodic substrates are investigated using Langevin dynamical simulations. The commensurability ratio, i.e., the ratio of the number of particles to the number of potential well minima, is set to 1 or 2. The resulting phonon spectra show that propagation of waves is always suppressed due to the confinement of particles by the applied 2D periodic substrates. For a commensurability ratio of 1, the spectra indicate that all particles mainly oscillate at one specific frequency, corresponding to the harmonic oscillation frequency of one single particle inside one potential well. At a commensurability ratio of 2, the substrate allows two particles to sit inside the bottom of each potential well, and the resulting longitudinal and transverse spectra exhibit four branches in total. We find that the two moderate branches come from the harmonic oscillations of one single particle and two combined particles in the potential well. The other two branches correspond to the relative motion of the two-body structure in each potential well in the radial and azimuthal directions. The difference in the spectra between the square and triangular substrates is attributed to the anisotropy of the substrates and the resulting alignment directions of the two-body structure in each potential well.

36 MATERIALS SCIENCE↗
DOE OSTI2018

First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks

In this work, we introduce a new class of electrides with nontrivial band topology by coupling materials database searches and first-principles-calculations-based analysis. Cs 3 O and Ba 3 N are for the first time identified as a new class of electrides, consisting of one-dimensional (1D) nanorod building blocks. Their crystal structures mimic β-TiCl 3 with the position of anions and cations exchanged. Unlike the weakly coupled nanorods of β-TiCl 3 , Cs 3 O and Ba 3 N retain 1D anionic electrons along the hollow interrod sites; additionally, a strong interrod interaction in C 3 O and Ba 3 N induces band inversion in a 2D superatomic triangular lattice, resulting in Dirac-node lines. The new class of electrides can serve as a prototype for new electrides with a large cavity space that can be utilized for various applications such as gas storage, ion transport, and metal intercalation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Face Centered Cubic and Hexagonal Close Packed Skyrmion Crystals in Centrosymmetric Magnets

Skyrmions are disklike objects that typically form triangular crystals in two-dimensional systems. This situation is analogous to the so-called pancake vortices of quasi-two-dimensional superconductors. The way in which Skyrmion disks or “pancake Skyrmions” pile up in layered centrosymmetric materials is dictated by the interlayer exchange. Here, unbiased Monte Carlo simulations and simple stabilization arguments reveal face centered cubic and hexagonal close packed Skyrmion crystals for different choices of the interlayer exchange, in addition to the conventional triangular crystal of Skyrmion lines. Moreover, an inhomogeneous current induces a sliding motion of pancake Skyrmions, indicating that they behave as effective mesoscale particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Competing Magnetic Interactions in the Antiferromagnetic Topological Insulator MnBi 2 Te 4

The antiferromagnetic (AFM) compound MnBi 2 Te 4 is suggested to be the first realization of an AFM topological insulator. Here, we report on inelastic neutron scattering studies of the magnetic interactions in MnBi 2 Te 4 that possess ferromagnetic triangular layers with AFM interlayer coupling. The spin waves display a large spin gap and pairwise exchange interactions within the triangular layer are long ranged and frustrated by large next-nearest neighbor AFM exchange. The degree of frustration suggests proximity to a variety of magnetic phases, potentially including skyrmion phases, which could be accessed in chemically tuned compounds or upon the application of symmetry-breaking fields.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Angular Momentum in Rotating Superfluid Droplets

The angular momentum of rotating superfluid droplets originates from quantized vortices and capillary waves, the interplay between which remains to be uncovered. Here, the rotation of isolated submicrometer superfluid 4 He droplets is studied by ultrafast x-ray diffraction using a free electron laser. The diffraction patterns provide simultaneous access to the morphology of the droplets and the vortex arrays they host. In capsule-shaped droplets, vortices form a distorted triangular lattice, whereas they arrange along elliptical contours in ellipsoidal droplets. The combined action of vortices and capillary waves results in droplet shapes close to those of classical droplets rotating with the same angular velocity. The findings are corroborated by density functional theory calculations describing the velocity fields and shape deformations of a rotating superfluid cylinder.

O'Connell, Sean M.O.↗
DOE OSTI2022

Quantum Phases of Transition Metal Dichalcogenide Moiré Systems

Moiré systems provide a rich platform for studies of strong correlation physics. Recent experiments on heterobilayer transition metal dichalcogenide Moiré systems are exciting in that they manifest a relatively simple model system of an extended Hubbard model on a triangular lattice. Inspired by the prospect of the hetero-transition metal dichalcogenide Moiré system’s potential as a solid-state-based quantum simulator, we explore the extended Hubbard model on the triangular lattice using the density matrix renormalization group. Specifically, we explore the two-dimensional phase space spanned by the key tuning parameters in the extended Hubbard model, namely, the kinetic energy strength and the further-range Coulomb interaction strengths. We find competition between Fermi fluid, chiral spin liquid, spin density wave, and charge order. In particular, our finding of the optimal further-range interaction for the chiral correlation presents a tantalizing possibility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Evidence of Dirac Quantum Spin Liquid in YbZn 2⁢ GaO 5

The emergence of a quantum spin liquid (QSL), a state of matter that can result when electron spins are highly correlated but do not become ordered, has been the subject of a considerable body of research in condensed matter physics [1,2]. Spin liquid states have been proposed as hosts for high-temperature superconductivity [3] and can host topological properties with potential applications in quantum information science [4]. The excitations of most quantum spin liquids are not conventional spin waves but rather quasiparticles known as spinons, whose existence is well established experimentally only in one-dimensional systems; the unambiguous experimental realization of QSL behavior in higher dimensions remains challenging. Here, in this work, we investigate the novel compound $YbZn_{2}GaO_{5}$, which hosts an ideal triangular lattice of effective spin-1/2 moments with no detectable inherent chemical disorder. Thermodynamic and inelastic neutron scattering measurements performed on high-quality single crystal samples of $YbZn_{2}GaO_{5}$ exclude the possibility of long-range magnetic ordering down to 0.06 K, demonstrate a quadratic power law for the specific heat and reveal a continuum of magnetic excitations in parts of the Brillouin zone. Both low-temperature thermodynamics and inelastic neutron scattering spectra suggest that $YbZn_{2}GaO_{5}$ is a U(1) Dirac QSL with spinon excitations concentrated at certain points in the Brillouin zone. We advanced these results by performing additional specific heat measurements under finite fields, further confirming the theoretical expectations for a Dirac QSL on the triangular lattice of $YbZn_{2}GaO_{5}$.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Layered polymorph of titanium triiodide

A previously unreported layered spin ½ triangular lattice polymorph of TiI 3 is described, synthesized under 6 GPa of applied pressure at 900 °C, but stable at atmospheric pressure. This air-sensitive material has a CdI 2 -type layered structure (P-3m1 (no. 164), a = 4.012 Å and c = 6.641 Å at 120 K, Z = 1 of Ti 0.667 I 2 ) with an in-plane triangular lattice, related to that of TiI 4 (Ti 0.5 I 2 ). Although the TiI 3 formula is consistent with expectations for a layered honeycomb lattice of spin ½ Ti(III), there appears to be disorder in the crystal structure. Magnetic susceptibility and heat capacity measurements suggest that the material undergoes several low temperature phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Performance and Energy Study of GPU-Resident Preconditioners for Conjugate Gradient Solvers: In the Context of Existing and Novel Approaches

Optimizing a particular subprogram out of the set of Basic (sparse) Linear Algebra Subprograms (BLAS) for a given architecture is a common topic of research. In applications, however, these BLAS functions rarely appear in isolation; usually, many of them are used together, in various combinations and with varying inputs. As the need to solve a large, sparse linear system is ubiquitous throughout HPC applications, linear solvers constitute a realistic, sufficiently complex and well-defined representative use case for composite BLAS routines. To this end, based on a representative set of matrices drawn from a diverse set of fields, we present a framework to study, from the performance and energy perspective, the efficacy of GPU- resident parallel Conjugate Gradient (CG) linear solver with different preconditioner options, including Gauss-Seidel, Jacobi, and incomplete Cholesky. We also propose a novel GPU-based preconditioner, in which the triangular solves are approximated by an iterative process. The development of this preconditioner was motivated by solving large graph Laplacian linear systems, for which the existing preconditioners either perform slow on GPU-based platforms or are not applicable. We compare the performance of these preconditioners on different hardware accelerator architectures, i.e., AMD MI250X, MI100, Nvidia A100, V100, and Jetson. Our experiments reveal performance trade-offs and provide information on how to select the best strategy for the given linear system, dictated by its properties, and the platform of interest. We demonstrate the application of our novel preconditioner for solving CG and graph Laplacian systems. Overall, the framework can be utilized as a benchmark to guide informed decisions in choosing a specific preconditioner, i.e., whether it is better to rely on the performance of a triangular solver or on the performance of sparse matrix-vector product. Finally, by considering power consumption to solve the linear systems, we report the energy footprint for the solvers.

Preconditioned Conjugate Gradient, GPUs, iterative↗
DOE OSTI2019

Calculation of Friction Factors and Nusselt Numbers for Twisted Elliptical Tube Heat Exchangers Using Nek5000

Twisted elliptical tube geometries for heat exchanger design are expected to offer significant enhancement in heat transfer with a marginal increase in frictional losses. The presented work focuses on computational fluid dynamics (CFD) simulations of heated molten salt flows through twisted elliptical tube geometries at low modified Froude numbers. In this work, the objectives are to evaluate the available correlations at low Froude numbers and to determine the impact of using a small gap to resolve contact points. The spectral element CFD code Nek5000 was used for all simulations, which were performed in periodic domains of triangular and square unit cells surrounding a single tube through a complete twist using an explicit filtering large eddy simulation (LES) method. The simulation methodology was validated by comparing to the experimental data of Tan et al. Excellent agreement was observed for this comparison. The Dzyubenko correlation for transitional flow was evaluated for a range of Froude numbers. This correlation demonstrated good agreement with LES results at high modified Froude number. As Froude number was decreased toward the bounds of the correlation, the agreement worsened. Cases were then simulated at low Froude number, testing the effects of tube spacing. It was determined that the laminar case for the square unit cell is the most affected by increasing gap size, which should be minimized to mitigate the effect. In the triangular unit cell, the laminar flow regime is also more significantly impacted by increasing gap size compared to the turbulent flow regime which was only marginally impacted.

42 ENGINEERING↗
DOE OSTI2021

Experimental Investigation of Innovative Cooling Schemes on an Additively Manufactured Engine Scale Turbine Nozzle Guide Vane

This study includes the design, validation, and fabrication via direct metal laser sintering (DMLS) of a gas turbine nozzle guide vanes (NGV) that incorporates three innovative cooling schemes specifically enabled by additive manufacturing. The novel NGV design is the culmination of an extensive research and development effort over a period of 4 years that included low- and high-speed cascade testing coupled with unsteady computational fluid dynamics for numerous candidate innovative cooling architectures. The final vane design (SJ-vane) consists of sweeping jet (SJ) film cooling holes on the suction surface (SS), sweeping jet impingement holes at the leading edge and double-wall partial length triangular pin-fin with impinging jet at the trailing edge. For comparison purposes, a second DMLS enabled vane (777-vane) was designed and fabricated with prototypical cooling circuits to serve as a baseline. This vane consists of a shaped film cooling holes on the suction surface, circular impingement holes at the leading edge, and full-length cylindrical pin-fins at the trailing edge. Experiments with the two DMLS enabled vanes were performed at the Ohio State University Turbine Reacting Flow Rig (TuRFR) at engine-relevant temperature (1375 K) and Mach number conditions. Infrared (IR) thermography was utilized to measure the wall temperature of the pressure and suction surface at several coolant mass flowrates to estimate the overall cooling effectiveness (ϕ). Results showed improved cooling performance for the advanced cooling schemes (sweeping jet film cooling, impingement cooling, and triangular pin-fin cooling) compared with the baseline cooling schemes.

Engineering↗
DOE OSTI2019

Strain tolerance of two-dimensional crystal growth on curved surfaces

Two-dimensional (2D) crystal growth over substrate features is fundamentally guided by the Gauss-Bonnet theorem, which mandates that rigid, planar crystals cannot conform to surfaces with nonzero Gaussian curvature. Here, we reveal how topographic curvature of lithographically designed substrate features govern the strain and growth dynamics of triangular WS 2 monolayer single crystals. Single crystals grow conformally without strain over deep trenches and other features with zero Gaussian curvature; however, features with nonzero Gaussian curvature can easily impart sufficient strain to initiate grain boundaries and fractured growth in different directions. Within a strain-tolerant regime, however, triangular single crystals can accommodate considerable (<1.1%) localized strain exerted by surface features that shift the bandgap up to 150 meV. Within this regime, the crystal growth accelerates in specific directions, which we describe using a growth model. Furthermore, these results present a previously unexplored strategy to strain-engineer the growth directions and optoelectronic properties of 2D crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Programming correlated magnetic states with gate-controlled moiré geometry

The ability to control the underlying lattice geometry of a system may enable transitions between emergent quantum ground states. We report in situ gate switching between honeycomb and triangular lattice geometries of an electron many-body Hamiltonian in rhombohedral (R)–stacked molybdenum ditelluride (MoTe 2 ) moiré bilayers, resulting in switchable magnetic exchange interactions. At zero electric field, we observed a correlated ferromagnetic insulator near one hole per moiré unit cell with a widely tunable Curie temperature up to 14 K. Applying an electric field switched the system into a half-filled triangular lattice with antiferromagnetic interactions; further doping this layer-polarized superlattice tuned the antiferromagnetic exchange interaction back to ferromagnetic. Our work demonstrates R-stacked MoTe 2 moirés to be a laboratory for engineering correlated states with nontrivial topology.

Science & Technology - Other Topics↗
DOE OSTI2018

Quantum Oscillations of Photoconductivity Relaxation in p–i–n GaAs/InAs/AlAs Heterodiodes

The photoconductivity and its relaxation characteristics in tunneling p–i–n GaAs/AlAs heterostructures under pulsed illumination is studied. Quantum oscillations in the photoconductivity are detected depending on the bias voltage with the period independent of the light wavelength, as well as an oscillating component of the relaxation curves caused by modulation of the recombination rate at the edge of a triangular quantum well in the undoped i layer, as in the case of photoconductivity oscillations. The common nature of oscillations of the steady-state photoconductivity and relaxation curves under pulsed illumination is directly confirmed by the lack of an oscillating component in both types of dependences of some studied p–i–n heterostructures. Simultaneous suppression of the observed oscillations of dependences of both types as the temperature increases to 80 K also confirms the proposed mechanism of their formation. The dependences of these oscillations on the magnetic field and light flux power are studied. Oscillation-amplitude suppression in a magnetic field of ~2 T perpendicular to the current is caused by the effect of the Lorentz force on the ballistic motion of carriers in the triangular-quantum-well region.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Atomic-Force Microscopy of Resistive Nonstationary Signal Switching in ZrO{sub 2}(Y) Films

Local resistive switching by complex nonstationary signals in zirconium-dioxide-stabilized films on conducting substrates has been studied by atomic-force microscopy with a conducting probe. Film resistance was switched by triangular voltage pulses on which a high-frequency sinusoidal signal was superimposed. It is found that the ratio of currents through the junction between the probe and film surface in high-resistance and low-resistance states increases after the superposition of a sinusoidal signal (as compared to switching by simple triangular pulses). An increase in the temporal stability of the current strength in these states was also found when switching with a sinusoidal signal. This effect is associated with resonant activation of oxygen ion migration over vacancies in an external ac electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Metamesh, Version 1.0

Metamesh is a general-purpose C++ language library for creating data structures that represent meshes. An important difference between Metamesh and other "mesh" libraries is that Metamesh does not provide a specific mesh format, in the usual sense, or tools or a GUI by which users build specific meshes. Rather, it provides a mechanism by which mesh formats themselves can be built, based on their constituent parts and the relationships between them.Consider that a mesh in up to three space dimensions can, in principle, contain nodes (0d entities, or points), edges (1d entities), faces (2d entities), and cells (3d, or volumetric, entities). A node might be defined in terms of (x), (x,y), or (x,y,z) in Cartesian coordinates; or perhaps something else, in a different coordinate system. An edge is typically defined from two nodes; say, "edge E goes from node A=(ax,ay) to node B=(bx,by)." Faces can reasonably be defined in terms of nodes or edges, and cells in terms of nodes, edges, or faces. Note also that someone might wish to support general faces or cells, or only specific variants - say, triangular faces and tetrahedral cells, or quadrilateral faces and hexahedral cells. Or, perhaps, both triangular and quadrilateral faces (but no others), with prisms for each cell. Consider also that a mesh can have the same or a lesser dimension than that of its enclosing space. In 3d, for example, one could have a full 3d mesh, a 2d "sheet" mesh with no cells, a 1d "parametrized curve" with neither faces nor cells, or even a 1d "point cloud." And, in addition to defining a mesh scheme, a user might wish to place additional data onto one or more mesh entities. Imagine, for example, a velocity at each node, a flux across each edge or face, and a mass or average density per cell. Metamesh supports all of this, through the use of C++ class and function templates, and template metaprogramming techniques. Programmers begin with constructs that Metamesh provides (or, users can define their own), and assemble them in particular ways in order to create particular mesh formats. Metamesh then provides functionality automatically to meshes that are constructed in this manner. Finally, Metamesh provides very general functions for spinning, extruding, visualizing, and performing input/output of whatever meshes a user builds with it.

Staley, Martin↗
DOE OSTI2025

Triangle Method for Dense ReLU Layers [SWR-25-72]

This software is an implementation of the methods for initializing and training neural networks to be more efficient per parameter, described more fully below and in the related publication: In theory, depth should make a ReLU network EXPONENTIALLY more efficient by enabling it to produce an exponential number of piecewise linear sections in its output. This reasoning is largely based on the work of mathematicians that have hand-constructed networks that make good use of depth. In practice however, even very deep ReLU networks that have been randomly initialized will behave identically to their shallow counterparts - missing an entire exponential dimension of efficiency. The triangle method is a first attempt at realizing the exponential potential of deep networks. Instead of randomly setting weights, we force pairs of neurons in each layer learn to build triangles (i.e. functions from [0,1] -> [0,1] that look like triangles). This is a very efficient pattern for generating lots of linear pieces because composing two triangular functions doubles the number of pieces with each composition. The triangle method is more than just a different initialization, it is a new paradigm of training. Instead of making direct updates to the matrix weights, we do an extra step of backpropagation to collect the derivatives of the loss function with respect to the shapes of the triangles, training them to tilt left or right. This process essentially holds the networks hand throughout the loss landscape and forces it to always use depth effectively by producing triangular shapes internally. This can produce several orders of magnitude of improvement on convex one-dimensional regression problems. Much more theoretical work is needed to realize its full potential beyond this context, but the implementation in this repository will still work in arbitrary numbers of dimensions. The file Triangle_Method.py is a generalized form of the method that will build each neuron its own custom 1-d convex activation function (with exponential efficiency). Example usage on one dimensional problems can be found in Example_Usage.ipynb and an example of using this in a real neural network can be found in Example_VGG16_CIFAR10.ipynb.

Milkert, Max [National Renewable Energy Laboratory↗