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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Yaw and spin effects on high intensity sound generation and on drag of training projectiles with ring cavities

Projectiles containing axisymmetric ring cavities constitute aeroacoustic sources. These produce high intensity tones which are used for coding in the SAWE (Simulation of Area Weapons Effects) system. Experimental data obtained in a free jet facility are presented describing the effects of yaw, spin and geometric projectile parameters on sound pressure and drag. In general, the sound pressure decreases with increasing yaw angle whereas the drag increases. Spin tends to increase sound pressure levels because of a reduction in asymmetry of flow. Drag increases at zero yaw approximately as the 1.5 power of sound wavelength. A significant part of the drag increase appears to be due to energy loss by sound radiation.

Parthasarathy, S. P.↗
DOE OSTI2022

Coupled Hubbard ladders at weak coupling: Pairing and spin excitations

The Hubbard model provides a simple framework in which one can study how certain aspects of the electronic structure of strongly interacting systems can be tuned to optimize the superconducting pairing correlations and how these changes affect the mechanisms giving rise to them. Here we use a weak-coupling random phase approximation to study a two-dimensional Hubbard model with a unidirectional modulation of the hopping amplitudes as the system evolves from the uniform square lattice to an array of weakly coupled two-leg ladders. We find that the pairing correlations retain their dominant d x 2 - y 2- wavelike structure and that they are significantly enhanced for a slightly modulated lattice. This enhancement is traced backed to an increase in the strength of the spin-fluctuation pairing interaction due to favorable Fermi surface nesting in the modulated system. We then use a random-phase approximation BCS framework to examine the evolution of the neutron resonance in the superconducting state. We find that it changes only weakly for moderate modulations, but breaks up into two distinct resonances at incommensurate wave vectors in the limit of weakly coupled ladders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Tunable Cr 4+ Molecular Color Centers

The inherent atomistic precision of synthetic chemistry enables bottom-up structural control over quantum bits, or qubits, for quantum technologies. Tuning paramagnetic molecular qubits that feature optical-spin initialization and readout is a crucial step toward designing bespoke qubits for applications in quantum sensing, networking, and computing. In this work, we demonstrate that the electronic structure that enables optical-spin initialization and readout for S = 1, Cr(aryl) 4 , where aryl = 2,4-dimethylphenyl (1), o-tolyl (2), and 2,3-dimethylphenyl (3), is readily translated into Cr(alkyl) 4 compounds, where alkyl = 2,2,2-triphenylethyl (4), (trimethylsilyl)methyl (5), and cyclohexyl (6). The small ground state zero field splitting values (<5 GHz) for 1–6 allowed for coherent spin manipulation at X-band microwave frequency, enabling temperature-, concentration-, and orientation-dependent investigations of the spin dynamics. Electronic absorption and emission spectroscopy confirmed the desired electronic structures for 4–6, which exhibit photoluminescence from 897 to 923 nm, while theoretical calculations elucidated the varied bonding interactions of the aryl and alkyl Cr 4+ compounds. The combined experimental and theoretical comparison of Cr(aryl) 4 and Cr(alkyl) 4 systems illustrates the impact of the ligand field on both the ground state spin structure and excited state manifold, laying the groundwork for the design of structurally precise optically addressable molecular qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Inconsistent Strategies to Spin up Models in CMIP5: Implications for Ocean Biogeochemical Model Performance Assessment

During the fifth phase of the Coupled Model Intercomparison Project (CMIP5) substantial efforts were made to systematically assess the skill of Earth system models. One goal was to check how realistically representative marine biogeochemical tracer distributions could be reproduced by models. In routine assessments model historical hindcasts were compared with available modern biogeochemical observations. However, these assessments considered neither how close modeled biogeochemical reservoirs were to equilibrium nor the sensitivity of model performance to initial conditions or to the spin-up protocols. Here, we explore how the large diversity in spin-up protocols used for marine biogeochemistry in CMIP5 Earth system models (ESMs) contributes to model-to-model differences in the simulated fields. We take advantage of a 500-year spin-up simulation of IPSL-CM5A-LR to quantify the influence of the spin-up protocol on model ability to reproduce relevant data fields. Amplification of biases in selected biogeochemical fields (O2, NO3, Alk-DIC) is assessed as a function of spin-up duration. We demonstrate that a relationship between spin-up duration and assessment metrics emerges from our model results and holds when confronted with a larger ensemble of CMIP5 models. This shows that drift has implications for performance assessment in addition to possibly aliasing estimates of climate change impact. Our study suggests that differences in spin-up protocols could explain a substantial part of model disparities, constituting a source of model-to- model uncertainty. This requires more attention in future model intercomparison exercises in order to provide quantitatively more correct ESM results on marine biogeochemistry and carbon cycle feedbacks.

histories↗
DOE OSTI2023

Spin–Orbit versus Hyperfine Coupling-Mediated Intersystem Crossing in a Radical Pair

While spin–orbit coupling (SOC) is typically the dominant interaction that couples singlet and triplet states within individual chromophores, hyperfine coupling (HFC) becomes important in multichromophoric systems, particularly in relation to the radical pair mechanism. Here, we use TD-DFT to calculate the spin–orbit coupling and hyperfine coupling between the first singlet and triplet charge transfer states of the radical pair 2 Pyrene– and 2 N,N-dimethylaniline + . We show that, as the intermolecular donor–acceptor distance grows, SOC decays to zero (as one would expect) because singlet and triplet states are characterized by identical orbitals in space, while the HFC remains comparatively constant. Here, the switching region occurs around 4 Å, beyond which HFC dominates over SOC as far as defining the rate of intersystem crossing (ISC).

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Machine-learning force-field models for dynamical simulations of metallic magnets

We review recent advances in machine-learning (ML) force-field methods for Landau–Lifshitz–Gilbert simulations of itinerant electron magnets, focusing on their scalability and transferability. Built on the principle of locality, a deep neural-network model is developed to efficiently and accurately predict electron-mediated forces governing spin dynamics. Symmetry-aware descriptors constructed through a group-theoretical approach ensure rigorous incorporation of both lattice and spin-rotation symmetries. The framework is demonstrated using the prototypical s-d exchange model widely employed in spintronics. ML-enabled large-scale simulations reveal novel nonequilibrium phenomena, including anomalous coarsening of tetrahedral spin order on the triangular lattice and the freezing of phase-separation dynamics in lightly hole-doped, strong-coupling square-lattice systems. These results establish ML force-field frameworks as scalable, accurate, and versatile tools for modeling nonequilibrium spin dynamics in itinerant magnets.

Artificial neural networks↗
NASA NTRS1983

Spinning fluids in the Einstein-Cartan theory

An Eulerian variational principle for a spinning fluid in the Einstein-Cartan metric-torsion theory is presented. The variational principle yields the complete set of field equations for the system. The symmetric energy-momentum tensor is a sum of a perfect-fluid term and a spin term.

Ray, J. R.↗
DOE OSTI2023

Glassy correlated state induced by disorder in the frustrated antiferromagnet Tb 2 Zr 2 O 7

Here, we study the low-temperature thermomagnetic properties of the polycrystalline material Tb 2 Zr 2 O 7 through ac susceptibility and specific heat measurements. This zirconate displays a defect-fluorite structure in which the magnetic Tb 3+ and nonmagnetic Zr 4+ cations sit randomly on the same metal sublattice. No long-range magnetic order is found down to 100 mK, although dominant antiferromagnetic interactions are observed and the spins remain dynamic down to the lowest temperatures investigated. We observed a frequency-dependent peak around 2.5 K which is well described by many models of a canonical spin-glass transition. In-field specific heat measurements and the recovered entropy of the system R ln(4) suggest a two doublets ground state separated by 7 K. Comparisons to the pyrochlores Tb 2 Ti 2 O 7 and Tb 2 Hf 2 O 7 reinforce the collective spin-glass-type behavior and the opening for discussions of an exotic Coulomb phase in this material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

How Well Does Kohn–Sham Regularizer Work for Weakly Correlated Systems?

Kohn–Sham regularizer (KSR) is a differentiable machine learning approach to finding the exchange-correlation functional in Kohn–Sham density functional theory that works for strongly correlated systems. Here we test KSR for a weak correlation. We propose spin-adapted KSR (sKSR) with trainable local, semilocal, and nonlocal approximations found by minimizing density and total energy loss. We assess the atoms-to-molecules generalizability by training on one-dimensional (1D) H, He, Li, Be, and Be 2+ and testing on 1D hydrogen chains, LiH, BeH 2 , and helium hydride complexes. The generalization error from our semilocal approximation is comparable to other differentiable approaches, but our nonlocal functional outperforms any existing machine learning functionals, predicting ground-state energies of test systems with a mean absolute error of 2.7 mH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Realization of two-dimensional discrete time crystals with anisotropic Heisenberg coupling

A discrete time crystal (DTC) is an out-of-equilibrium phase of matter that spontaneously breaks discrete time-translation symmetry. Previous studies have been limited to a set of models with Ising-like couplings - and mostly only in one dimension - thus precluding our understanding of the existence (or not) of DTCs in models with more realistic interactions. In this work, by combining the latest generation of IBM quantum processors with state-of-the-art tensor network methods, we demonstrate the existence of a DTC in a two-dimensional system governed by anisotropic Heisenberg interactions. We uncover a rich phase diagram encompassing spin-glass, ergodic, and time-crystalline phases, and identify the interplay of initialization, interaction anisotropy, and driving protocols in stabilizing the DTC phase. By extending the study of Floquet matter beyond simplified models, we lay the groundwork for exploring how driven systems bridge the gap between quantum coherence and emergent non-equilibrium thermodynamics.

Phase transitions and critical phenomena↗
DOE OSTI2022

Hot-lines topology and the fate of the spin resonance mode in three-dimensional unconventional superconductors

In the quasi-two-dimensional (quasi-2D) copper- and iron-based superconductors, the onset of superconductivity is accompanied by a prominent peak in the magnetic spectrum at momenta close to the wave-vector of the nearby antiferromagnetic state. Such a peak is well described in terms of a spin resonance mode, i.e., a spin-1 exciton theoretically predicted for quasi-2D superconductors with a sign-changing gap. The same theories, however, indicate that such a resonance mode should be absent in a three-dimensional (3D) system with a spherical Fermi surface. This raises the question of the fate of the spin resonance mode in layered unconventional superconductors that are not strongly anisotropic, such as certain heavy-fermion compounds and potentially the newly discovered nickelate superconductor NdNiO 2 . Here, we use the random phase approximation to calculate the dynamical spin susceptibility of 3D superconductors with a d x 2 –y 2 -wave gap symmetry and corrugated cylindrical-like Fermi surfaces. By varying the out-of-plane hopping anisotropy t z /t, we demonstrate that the appearance of a spin resonance mode is determined by the topology of the hot lines, i.e., lines on the Fermi surface that are connected by the magnetic wave vector. For an in-plane antiferromagnetic wave vector, the hot lines undergo a topological transition from open lines to closed loops at a critical t z /t value. The closed hot lines cross the nodal superconducting lines, making the spin resonance mode overdamped and incoherent. In contrast, for an out-of-plane antiferromagnetic wave vector, the hot lines remain open and the spin resonance mode remains sharp. We discuss the experimental implications of our results for the out-of-plane dispersion of the spin resonance mode and, more generally, for inelastic neutron scattering experiments on unconventional superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Engineered thermalization and cooling of quantum many-body systems

We develop a scheme for engineering genuine thermal states in analog quantum simulation platforms by coupling local degrees of freedom to driven, dissipative ancilla pseudospins. We demonstrate the scheme in a many-body quantum spin lattice simulation setting. A Born-Markov master equation describing the dynamics of the many-body system is developed, and we show that if the ancilla energies are periodically modulated, with a carefully chosen hierarchy of timescales, one can effectively thermalize the many-body system. Through analysis of the time-dependent dynamical generator, we determine the conditions under which the true thermal state is an approximate dynamical fixed point for general system Hamiltonians. Finally, we evaluate the thermalization protocol through numerical simulation and discuss prospects for implementation on current quantum simulation hardware.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Evaluation of an envelope-limiting device using simulation and flight test of a remotely piloted research vehicle

The operating characteristics of a nonlinear envelope-limiting device were investigated at extreme flight conditions by using a real time digital aircraft spin simulation and flight tests of a scale model remotely piloted research vehicle. A digital mechanization of the F-15 control system, including the stall inhibiter, was used in the simulation and in the control system of the scale model. The operational characteristics of the stall inhibiter and the effects of the stall inhibiter on the spin susceptibility of the airplane were investigated.

Petersen, K. L.↗
DOE OSTI2023

Superconducting diode effect in quasi-one-dimensional systems

The recent observations of the superconducting diode effect pose the challenge to fully understand the necessary ingredients for nonreciprocal phenomena in superconductors. In this theoretical work, we focus on the nonreciprocity of the critical current in a quasi-one-dimensional superconductor. We define the critical current as the value of the supercurrent at which the quasiparticle excitation gap closes (depairing). Once the critical current is exceeded, the quasiparticles can exchange energy with the superconducting condensate, giving rise to dissipation. Our minimal model can be microscopically derived as a low-energy limit of a Rashba spin-orbit coupled superconductor in a Zeeman field. Within the proposed model, we explore the nature of the nonreciprocal effects of the critical current both analytically and numerically. Further, our results quantify how system parameters such as spin-orbit coupling and quantum confinement affect the strength of the superconducting diode effect. Our theory provides a complementary description to Ginzburg-Landau theories of the effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ultra High-Temperature Magnetic Bearing System for s-CO 2 Turbines/Expanders. Phase II Final Report

The goal of this project is to design and construct of a prototype of ultra-high temperature permanent magnet (UHT–PM), which provides the force to pull the spinning shaft towards the target position in the magnetic bearing (MB) clearance circle. This project will develop a PM biased MB system, that is actively cooled to the 550°C maximum operating temperature limit of PMs. The MB test environment will include 700°C, 40krpm and 4,000 psi requirements to advance the supercritical carbon dioxide (sCO 2 ) and other types of Brayton power cycle systems. The proposed novel MBs combine PMs for supplying the bias field and electromagnets for supplying the control field, both in UHT conditions. The choice of material is the UHT Sm-Co PMs (US patent 6,451,132) due to their significantly better thermal stability. The 6-pole homopolar design permits uninterrupted force delivery via a redundant control capability (US patent 7,429,811) even if 3 poles were to fail. The Phase I efforts was to focus on development and demonstration of component technologies and detailed design of full scale components and a demonstrator test rig for use in Phase II. UHT–PMs were produced and used in the MB actuator. The operating environment of the EEC-T550 Sm-Co magnet material could be extended by implementing active cooling. Electromagnetic coils imbedded in the MB provide forces to stabilize the shaft position at the target via sensing and control stages. Shaft position sensors enable to identify the present position of the spinning shaft relative to its desired target position in the MB clearance circle (air gap). Auxiliary bearings will be installed to provide a backup support system in the event that power to the MB fails or there is a fault in a device providing current to the MB coils. For control, reliability and safety reasons the sensors and auxiliary bearings are typically located as close as possible to the MBs, which exposes them to the same environmental conditions. Development of only the actuator for the UHT environment is an inadequate approach to complete integration of the MB system in the turbine/expander. Therefore the UHT sensor and auxiliary bearing were designed and developed along with the actively cooled, UHT-PM actuator development. Although shaft position sensors are commercially available (Kaman) they may cost up to $10k per channel, and a full 5 axis magnetic suspension is best implemented with up to 20 sensors. Once successfully completed, this project will significantly extend the operating environment capability for turbomachinery applications such as nuclear power, concentrated solar thermal, fossil fuel, geothermal, and shipboard propulsion. The further advancement of UHT-PM-MB will also strengthen the US position in PM technology, which is presently heavily dominated by China. The UHT Sm-Co magnet material that will be utilized in the proposed work has been developed exclusively by the project proposer. Many actuators, motors, generators and other MB applications will greatly benefit from the proposed work.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

High-temperature magnetic anomaly in the Kitaev hyperhoneycomb compound β - Li 2 IrO 3

Here, we report the existence of a high-temperature magnetic anomaly in the three-dimensional Kitaev candidate material, β - Li 2 IrO 3 . Signatures of the anomaly appear in magnetization, heat capacity, and muon spin relaxation measurements. The onset coincides with a reordering of the principal axes of magnetization, which is thought to be connected to the onset of Kitaev-like correlations in the system. The anomaly also shows magnetic hysteresis with a spatially anisotropic magnitude that follows the spin-anisotropic exchange anisotropy of the underlying Kitaev Hamiltonian. We discuss possible scenarios for a bulk and impurity origin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗