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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Strain Sensitivity in Single Walled Carbon Nanotubes for Multifunctional Materials

Single walled carbon nanotubes represent the future of structural aerospace vehicle systems due to their unparalleled strength characteristics and demonstrated multifunctionality. This multifunctionality rises from the CNT's unique capabilities for both metallic and semiconducting electron transport, electron spin polarizability, and band gap modulation under strain. By incorporating the use of electric field alignment and various lithography techniques, a single wall carbon nanotube (SWNT) test bed for measurement of conductivity/strain relationships has been developed. Nanotubes are deposited at specified locations through dielectrophoresis. The circuit is designed such that the central, current carrying section of the nanotube is exposed to enable atomic force microscopy and manipulation in situ while the transport properties of the junction are monitored. By applying this methodology to sensor development a flexible single wall carbon nanotube (SWNT) based strain sensitive device has been developed. Studies of tensile testing of the flexible SWNT device vs conductivity are also presented, demonstrating the feasibility of using single walled HiPCO (high-pressure carbon monoxide) carbon nanotubes as strain sensing agents in a multi-functional materials system.

Heath, D. M.↗
DOE OSTI2025

Confined and deconfined chaos in classical spin systems

Weakly perturbed integrable many-body systems are typically chaotic, and thermal at late times. However, there are distinct relationships between the timescales for thermalization and chaos. The typical relationship is confined chaos: when trajectories are still confined to regions in phase space with constant conserved quantities (actions), the conjugate angle variables are already unstable. Chaotic instabilities thus far precede thermalization. In a different relationship, which we term deconfined chaos, chaotic instabilities and thermalization occur on the same timescale. We investigate these two qualitatively distinct scenarios through numerical and analytical studies of two perturbed integrable classical spin models: the Ishimori spin chain (confined chaos), and the central spin model with XX interactions (deconfined chaos). We analytically establish (super)-integrability in the latter model in a microcanonical shell. Deconfined chaos emerges through the separation of phase space into large quasi-integrable regions and a thin chaotic manifold. The latter leads to chaos and thermalization on the fastest possible timescale, which is proportional to the inverse perturbation strength. This behavior is reminiscent of the quantum SYK models and strange metals.

Chaotic Dynamics (nlin.CD)↗
DOE OSTI2025

Computational methods based on density functional theory for reactions and processes involving electronic spin (Final Technical Report)

This award supports one post-doctoral researcher for 1.5 years. Publications that acknowledge this grant: Refs. 1–14. Refs. 3,10,12 assess current methodology for the evaluation of magnetic exchange couplings in transition metal complexes. In particular, Ref. 10 validates the use of an approximate (non-iterative) Green’s function approach for the calculation of magnetic exchange couplings and will be the foundation for Thrust 2 in this proposal. Refs. 3 and 12 focus on widely used density functional approaches based on the standard energy differences methodology for the particular case of oxo-bridged Fe(III) complexes. Refs. 2,4–7,11 apply current methodologies to problems of practical interest in molecular magnetism. Ref. 13 presents a methodology to explicitly simulate the dynamics of open quantum systems within density functional theory (DFT) calculations based on the Liouville-von Neumann equation of motion for quantum systems driven out-of-equilibrium. Ref. 8 uses non-collinear spin DFT to explain the mechanical behavior of magnetic mono-atomic Pt wires produced in break-junction experiments in the presence of a magnetic field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Stabilization of collinear ferromagnetic order in Ir-doped triple-layer ruthenate Sr 4 Ru 3 O 10

The triple-layer Sr 4 Ru 3 O 10 is a spin-orbit-coupled metal featuring an intriguing combination of ferromagnetic and metamagnetic states. Here we report a comprehensive study of single-crystal neutron and x-ray diffraction on Sr 4 Ru 3 O 10 with 4% iridium doping. The system crystallizes in an orthorhombic Bbem structure in which two triple layers are related by a base centering symmetry operation within one unit cell. The 4% Ir doping at the Ru site sensitively alters the structural balance between the RuO 6 layers, as such the two outer-layer octahedra rotate 6.7° about the c axis, while the central-layer one rotates in the opposite direction by 11.0°. The increased lattice distortion stabilizes a collinear ferromagnetic state with magnetic moments fully aligned along the c axis. The emerging perpendicular magnetic anisotropy naturally increases the critical field for the inplane metamagnetic transition to 4.5 Tesla. All results highlight the critical linkage between the magnetic properties and underlying lattice through orbital degrees of freedom, as well as the enhanced spin orbit coupling due to heavier 5d ions. Our observation provides a viable route for an efficient manipulation of the magnetic states with functionalities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Quantum geometry in quantum materials

Quantum geometry, characterized by the quantum geometric tensor, plays a central role in diverse physical phenomena in quantum materials. This pedagogical review introduces the concept and highlights its implications across multiple domains, including optical responses, Landau levels, fractional Chern insulators, superfluid weight, spin stiffness, exciton condensates, and electronphonon coupling. By integrating these topics, we emphasize the broad significance of quantum geometry in understanding emergent behaviors in quantum systems and conclude with an outlook on open questions and future directions.

Condensed-matter physics↗
DOE OSTI2023

Tetrafluorenofulvalene as a sterically frustrated open-shell alkene

Electronic and steric effects are known to greatly influence the structure, characteristics and reactivity of organic compounds. A typical π bond is weakened by oxidation (corresponding to the removal of electrons from bonding orbitals), by reduction (through addition of electrons to antibonding orbitals) and by unpairing of the bonding electrons, such as in the triplet state. Here we describe tetrafluorenofulvalene (TFF), a twisted, open-shell alkene for which these general rules do not hold. Through the synthesis, experimental characterization and computational analysis of its charged species spanning seven redox states, the central alkene bond in TFF is shown to become substantially stronger in the tri- and tetraanion, generated by chemical reduction. Furthermore, although its triplet state contains a weaker alkene bond than the singlet, in the quintet state its bond order increases substantially, yielding a flatter structure. This behaviour originates from the doubly bifurcated topology of the underlying spin system and can be rationalized by the balancing effects of benzenoid aromaticity and spin pairing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Effect of gravity-gradient torques on the dynamics of a spinning spacecraft with telescoping appendages

The effects of gravity-gradient torques during boom deployment maneuvers of a spinning spacecraft are examined with a combination of numerical and analytical methods. It is assumed that the spacecraft consists of a rigid central hub and movable rigid telescoping booms where the booms extend only along the hub principal axes. For the special case of symmetric deployment the stability boundaries are determined and a stability chart is used to study the system behavior. Possible cases of instability during this type of maneuver are identified.

Rajan, M.↗
DOE OSTI2021

Adaptive variational quantum eigensolvers for highly excited states

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore the potential of variational quantum algorithms to approximate such states. We propose an adaptive variational quantum eigensolver (VQE) for excited states (X) that self-generates a variational ansatz for arbitrary eigenstates of a many-body Hamiltonian H by attempting to minimize the energy variance with respect to H. We benchmark the method by applying it to an Ising spin chain with integrable and nonintegrable regimes, where we calculate various quantities of interest, including the total energy, magnetization density, and entanglement entropy. We also compare the performance of adaptive VQE-X to an adaptive variant of the folded-spectrum method. For both methods, we find a strong dependence of the algorithm's performance on the choice of operator pool used for the adaptive construction of the ansatz. In particular, an operator pool including long-range two-body gates accelerates the convergence of both algorithms in the nonintegrable regime. Here, we also study the scaling of the number of variational parameters with system size, finding that an exponentially large number of parameters may be necessary to approximate individual highly excited states. Nevertheless, we argue that these methods lay a foundation for the use of quantum algorithms to study finite-energy-density properties of many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

From Anderson localization on random regular graphs to many-body localization

Highlights: • Anderson transition from ergodicity to localization on random regular graphs (RRG). • Analytical, pool method, and exact-diagonalization study of correlations on RRG. • Many-body localization (MBL) to ergodicity transition: quantum dots and spin chains. • Dynamical eigenstate correlation functions in RRG and MBL problems. • Anderson localization on RRG as a toy model for MBL. The article reviews the physics of Anderson localization on random regular graphs (RRG) and its connections to many-body localization (MBL) in disordered interacting systems. Properties of eigenstate and energy level correlations in delocalized and localized phases, as well at criticality, are discussed. In the many-body part, models with short-range and power-law interactions are considered, as well as the quantum-dot model representing the limit of the “most long-range” interaction. Central themes – which are common to the RRG and MBL problems – include ergodicity of the delocalized phase, localized character of the critical point, strong finite-size effects, and fractal scaling of eigenstate correlations in the localized phase.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Luther-Emery liquid and dominant singlet superconductivity in the hole-doped Haldane spin-1 chain

We investigate the pairing tendencies in the hole-doped Haldane spin-1 chain. To allow for doping, we extend the original spin chain Hamiltonian into a fermionic model involving a two-orbital Hubbard chain at intermediate or strong repulsive interaction strengths U and for degenerate orbitals. At half filling and large U, the ferromagnetic Hund's coupling, J H , generates effective spin-1 moments, with antiferromagnetic correlations between sites. Using large-scale density matrix renormalization group calculations, we accurately study the system's behavior under light hole-doping. For U = 1.6 in units of the noninteracting bandwidth and for J H /U ≳ 0.275, we find that singlet pairing dominates the long-distance physics, establishing this system as a promising platform for repulsively mediated superconductivity. We provide concrete examples of materials that could realize the physics described here. We also provide evidence that the system approaches a Luther-Emery liquid state at large system sizes, reminiscent of the behavior of doped one-orbital two-leg ladders at weak coupling, which also have superconducting tendencies. The numerically calculated central charge approaches one in the thermodynamic limit, indicating a single gapless mode as is expected for the Luther-Emery state. Exponents characterizing the power-law decays of singlet pair-pair and charge density-density correlations are determined, and found to approximately satisfy the Luther-Emery identity.

1-dimensional systems↗
DOE OSTI2020

Chiral topologically ordered insulating phases in arrays of interacting integer quantum Hall islands

Here, we study networks of Coulomb-blockaded integer quantum Hall islands with even fillings ν = 2 k ( k being an integer), including cases with 2 k layers each of ν = 1 fillings. Allowing only spin-current interactions between the islands (i.e., without any charge transfer), we obtain solvable models leading to a rich set of insulating S U ( 2 ) k topologically ordered phases. The case with k = 1 is dual to the Kalmeyer-Laughlin phase, k = 2 to Kitaev's chiral spin liquid and the Moore-Read state, and k = 3 contains a Fibonacci anyon that may be utilized for universal topological quantum computation. Additionally, we show how the S U ( 2 ) k topological phases may be obtained also in an array of islands with ν = 2 k integer quantum Hall states and critical spin chains in a checkerboard pattern. The array and checkerboard constructions gap out the charge mode and additional “flavor” modes by virtue of their geometry. Furthermore, we find that a fine tuning of the system parameter is not needed in the checkerboard configuration and the ν = 2 case. We also discuss their bulk excitations, and show that their thermal Hall conductance is universal, reflecting the central charge c = 3 k / ( k + 2 ) of the chiral edge modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

A reappraisal of Darwin's fission hypothesis and a possible limit to the primordial angular momentum of the Earth

G. H. Darwin proposed that the primordial Earth may have rotated fast enough that the solar tidal period was nearly resonant with the fundamental free oscillation period of a fluid Earth and that a large and unstable tidal oscillation split off to become the moon. Jeffreys argumented that dissipation during resonance would be sufficient to prevent such an unstable oscillation greater than the tidal frequency (period - 2.68 hr). It is considered that solar tides have extracted angular momentum from the Earth-Moon system over 4.5 b.y. The correspondence of the primordial tidal and resonant frequencies is nearly exact. (The effect of central condensation of the proto earth is to increase both frequencies by a similar amount, though the resonance is not precisely known. This result, was unknown to Darwin or Jeffreys. The effects of resonance were evaluated. The resonance is likely to be too damped for fission. This argument is more general than Jeffreys', who considered friction between the oscillating mantle and a rigid core. It is argued that the fact that Q must be so great for fission that equilibrium can not be maintained; the fluid proto Earth passes so quickly through resonance that maximum amplitude is not reached. It is suggested that solar resonant tides acted as a brake on the spin of the primordial partially molten Earth. Certain proposed origins for the Moon do not necessarily involve addition of substantial amounts of angular momentum to the Earth-Moon system. The primordial Earth-Moon system may have had nearly the same angular momentum as it has today.

Mckinnon, W. B.↗
DOE OSTI2025

Ω 3⁢𝑐 ⁢𝑁⁢𝑁 and Ω 3⁢𝑐 ⁢Ω 3⁢𝑐 ⁢𝑁 systems with HAL QCD potentials

Here, this study employs the Faddeev formalism in configuration space to investigate the Ω 3⁢𝑐 ⁢𝑁⁢𝑁 cluster containing a triply charmed Omega baryon (Ω 3⁢𝑐 ). Using the recently reported HAL QCD 𝑆-wave Ω 3⁢𝑐 ⁢𝑁 potentials in the 3 𝑆 1 and 5 𝑆 2 channels, together with the MT-I–III nucleon-nucleon potential and neglecting the Coulomb force, we find no bound state for the Ω 3⁢𝑐 ⁢𝑛⁢𝑝 system. We predict near-threshold resonances in the 𝐽 𝜋 =5/2 + (maximal total spin) and 𝐽 𝜋 =1/2 + (minimal total spin) states, with resonance energies of 1.1 MeV below and 0.0 MeV at the three-body breakup threshold, respectively, at Euclidean time 𝑡/𝑎 =16. A similar analysis of the Ω 3⁢𝑐⁢ Ω 3⁢𝑐⁢ 𝑁 system likewise reveals no bound states, though a possible resonance is indicated.

few-body systems↗
NASA NTRS2005

Recreation Embedded State Tuning for Optimal Readiness and Effectiveness (RESTORE)

Physiological self-regulation training is a behavioral medicine intervention that has demonstrated capability to improve psychophysiological coping responses to stressful experiences and to foster optimal behavioral and cognitive performance. Once developed, these psychophysiological skills require regular practice for maintenance. A concomitant benefit of these physiologically monitored practice sessions is the opportunity to track crew psychophysiological responses to the challenges of the practice task in order to detect shifts in adaptability that may foretell performance degradation. Long-duration missions will include crew recreation periods that will afford physiological self-regulation training opportunities. However, to promote adherence to the regimen, the practice experience that occupies their recreation time must be perceived by the crew as engaging and entertaining throughout repeated reinforcement sessions on long-duration missions. NASA biocybernetic technologies and publications have developed a closed-loop concept that involves adjusting or modulating (cybernetic, for governing) a person's task environment based upon a comparison of that person's physiological responses (bio-) with a training or performance criterion. This approach affords the opportunity to deliver physiological self-regulation training in an entertaining and motivating fashion and can also be employed to create a conditioned association between effective performance state and task execution behaviors, while enabling tracking of individuals psychophysiological status over time in the context of an interactive task challenge. This paper describes the aerospace spin-off technologies in this training application area as well as the current spin-back application of the technologies to long-duration missions - the Recreation Embedded State Tuning for Optimal Readiness and Effectiveness (RESTORE) concept. The RESTORE technology is designed to provide a physiological self-regulation training countermeasure for maintaining and reinforcing cognitive readiness, resilience under psychological stress, and effective mood states in long-duration crews. The technology consists of a system for delivering physiological self-regulation training and for tracking crew central and autonomic nervous system function; the system interface is designed to be experienced as engaging and entertaining throughout repeated training sessions on long-duration missions. Consequently, this self-management technology has threefold capability for recreation, behavioral health problem prophylaxis and remediation, and psychophysiological assay. The RESTORE concept aims to reduce the risk of future manned exploration missions by enhancing the capability of individual crewmembers to self-regulate cognitive states through recreation-embedded training protocols to effectively deal with the psychological toll of long-duration space flight.

Pope, Alan T.↗
NASA NTRS1992

Discovery of two planets around a millisecond pulsar

By timing the arrival of radio signals from a rapidly spinning pulsar at the Arecibo Observatory's radio/radar telescope, the most convincing evidence so far for a planetary system outside our own has been found: two or possibly three planets that orbit the neutron star called PSR1257+12. This finding indicates that planet formation may be a more common process than previously anticipated and that the formation of disks of gas and dust that are sufficiently massive to condense into Earth-sized planets orbiting their central bodies can take place under surprisingly diverse conditions.

Wolszczan, A.↗
DOE OSTI2022

Gapless to gapless phase transitions in quantum spin chains

We investigate spin chains with bilinear-biquadratic (BLBQ) spin interactions as a function of an applied magnetic field h. At the Uimin-Lai-Sutherland (ULS) critical point we find a gapless to gapless transition revealed by the dynamical structure factor S(q,ω) as a function of h. At h=0, the envelope of the lowest-energy excitations goes soft at two points, q 1 =2π/3 and q 2 =4π/3, dubbed the phase A. With increasing field, the spectral peaks at each of the gapless points bifurcate, making in total four soft modes, and combine to form a new set of excitations that soften at a single point q=π at h c1 ≈0.94. Beyond h c1 the system enters another gapless B phase until the transition at h c2 =4 to the fully polarized phase. We compare the ULS model results with those for the Affleck-Kennedy-Lieb-Tasaki model as a representative of the gapped Haldane phase. We explain the mechanism of the gapless to gapless transition in the ULS model using its conserved charges and a spinon band picture. We also discuss the universality of central charges of the BLBQ family of models subjected to a magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Effects of chemical disorder and spin-orbit coupling on the electronic-structure and Fermi-surface topology of YbSb-based monopnictides

Here, in this work, we study the influence of disorder on the electronic structure of YbSb—a rare-earth monopnictide featuring a simple rocksalt (B1) crystal structure and a well-defined Fermi-surface topology—by employing first-principles density-functional theory. We focus on chemical disorder introduced through Te and Al doping, selected based on their thermodynamic stability in alloyed configurations, to understand how such perturbations modify the electronic states of YbSb. Our results indicate that Te doping predominantly introduces electronlike states at the 𝑋 and 𝐿 points, while Al doping leads to a suppression of holelike states at Γ, effectively driving the system from a semimetallic state to one characterized by very narrow-gap behavior at Γ. This modulation of the Fermi surface, particularly the reduction of central hole pockets at Γ, plays a central role in altering interpocket scattering—a mechanism critical for tuning quantum transport properties, including superconductivity. This disorder-driven modulation of the Fermi surface, particularly the suppression of central hole pockets at Γ, controls interpocket scattering, which is essential for optimizing quantum transport properties, including superconductivity. Our results show that disorder can be effectively used for engineering band topology, thereby tuning quantum related response through a tailored electronic structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

The shedding of an anticyclonic eddy from the Alaskan Stream as observed by the Geosat altimeter

The evolution of a meander into an anticyclonic eddy which separates from the Alaskan Stream in the vicinity of the central Aleutian Islands is observed in two years of sea surface height anomalies computed from Geosat Exact Repeat Mission altimeter data. The observed region of meander growth and eddy separation agrees with that predicted by theory. Spin down times based on vorticity are much longer than those based on energies. This is consistent with an eddy's ability to maintain its integrity as it decays. Representative height, diameter, and velocity scales of the eddy are characteristic of rings spawned by other current systems. Assuming a ring structure for this eddy, the estimated ring volume represents a 21 percent transport anomaly referred to the mean annual transport into the Bering Sea.

Okkonen, Stephen R.↗