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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Engineering long-lived entanglement through dissipation in quantum hybrid solid-state platforms

Spin squeezing, a form of many-body entanglement, is a crucial resource in quantum metrology and information processing. While experimentally viable protocols for generating stable spin squeezing have been proposed in quantum optics setups, there is growing interest in quantum hybrid solid-state systems as alternative platforms for both engineering and exploring many-body quantum phenomena. In this work, we propose a scheme to generate long-lived spin squeezing in an ensemble of solid-state qubits interacting with electromagnetic noise emitted by a squeezed solid-state bath. We identify the conditions under which quantum correlations within the bath can be transferred to the qubit array, driving it into an entangled state independently of its initial configuration. To assess the experimental feasibility of our approach, we analyze the dynamics of an array of solid-state spin defects coupled to a common ferromagnetic bath, which is driven into a non-equilibrium squeezed state through its interaction with a surface acoustic wave mode. Our results demonstrate that the ensemble can exhibit steady-state spin squeezing under suitable conditions, opening new pathways for the generation of robust many-body entanglement in solid-state spin ensembles.

NV centers↗
DOE OSTI2021

Visualizing broken symmetry and topological defects in a quantum Hall ferromagnet

The interaction between electrons in graphene under high magnetic fields drives the formation of a rich set of quantum Hall ferromagnetic (QHFM) phases with broken spin or valley symmetry. Visualizing atomic-scale electronic wave functions with scanning tunneling spectroscopy (STS), we resolved microscopic signatures of valley ordering in QHFM phases and spectral features of fractional quantum Hall phases of graphene. At charge neutrality, we observed a field-tuned continuous quantum phase transition from a valley-polarized state to an intervalley coherent state, with a Kekulé distortion of its electronic density. Mapping the valley texture extracted from STS measurements of the Kekulé phase, we could visualize valley skyrmion excitations localized near charged defects. Our techniques can be applied to examine valley-ordered phases and their topological excitations in a wide range of materials.

valley symmetry↗
DOE OSTI2017

Electron Paramagnetic Resonance and X-ray Diffraction of Boron- and Phosphorus-Doped Nanodiamonds

Powders of boron- and phosphorus-doped detonation nanodiamonds and sintered pellets of non-doped nanodiamond powders were studied using electron paramagnetic resonance and x-ray diffraction. Doping of detonation nanodiamond crystals with boron and phosphorus was demonstrated to be possible. These methods could be used to diagnose diamond nanocrystals doped during shock-wave synthesis.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2000

Gravitational Waves from Rotating Neutron Stars and Evaluation of fast Chirp Transform Techniques

X-ray observations suggest that neutron stars in low mass X-ray binaries (LMXB) are rotating with frequencies from 300 - 600 Hz. These spin rates are significantly less than the break-up rates for essentially all realistic neutron star equations of state, suggesting that some process may limit the spin frequencies of accreting neutron stars to this range. If the accretion induced spin up torque is in equilibrium with gravitational radiation losses, these objects could be interesting sources of gravitational waves. I present a brief summary of current measurements of neutron star spins in LMXBs based on the observations of high-Q oscillations during thermonuclear bursts (so called 'burst oscillations'). Further measurements of neutron star spins will be important in exploring the gravitational radiation hypothesis in more detail. To this end I also present a study of fast chirp transform (FCT) techniques as described by Jenet and Prince in the context of searching for the chirping signals observed during X-ray bursts.

Strohmayer, Tod E.↗
DOE OSTI2023

Metals and Quantum Materials with Spin-orbit Interactions by Quantum Monte Carlo methods

The key goals of this project were as follows: 1) Analysis and benchmarks of electron correlation effects recovered in the fixed-node approximation that is inherent to quantum Monte Carlo (QMC) method as applied to metallic states; 2) development of new algorithms for electron spin-degrees of freedom to be treated as explicit quantum variables; 3) designing electronic structure QMC algorithm for efficient evaluation of spin-orbit effects in systems with heavy atoms; 4) adapting the algorithm to complex wave functions and developing corresponding fixed-phase approximation; 5) design and testing of algorithm for valence-only non-local spin-orbit operators; 6) analysis of fixed-node vs fixed-phase errors and their comparisons. The key accomplishments: i) We carried out a systematic study of Li systems by the fixed-node diffusion Monte Carlo method. This involved Li atom, molecule, cluster and solid calculated by the full range of QMC methods including fixed-node QMC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

Theoretical treatment of the spin-orbit coupling in the rare gas oxides NeO, ArO, KrO, and XeO

Off-diagonal spin-orbit matrix elements are calculated as a function of internuclear distance for the rare gas oxides NeO, ArO, KrO, and XeO using the full microscopic spin-orbit Hamiltonian, including all one- and two-electron integrals, and POL-CI wave functions comparable to those of Dunning and Hay (1977). A good agreement was found when comparing these results in detail with the calculations of Cohen, Wadt and Hay (1979) that utilize an effective one-electron one-center spin-orbit operator. For the rare gas oxide molecules, it is suggested that the numerical results are a more sensitive test of the wave functions (particularly to the extent of charge transfer) than the exact evaluation of all terms in the full spin-orbit operator.

Langhoff, S. R.↗
DOE OSTI2020

Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations

Quantum states are described by wave functions whose phases cannot be directly measured, but which play a vital role in quantum effects such as interference and entanglement. The loss of the relative phase information, termed decoherence, arises from the interactions between a quantum system and its environment. Decoherence is perhaps the biggest obstacle on the path to reliable quantum computing. Here we show that decoherence occurs even in an isolated molecule although not all phase information is lost via a theoretical study of a central electron spin qubit interacting with nearby nuclear spins in prototypical magnetic molecules. The residual coherence, which is molecule-dependent, provides a microscopic rationalization for the nuclear spin diffusion barrier proposed to explain experiments. The contribution of nearby molecules to the decoherence has a non-trivial dependence on separation, peaking at intermediate distances. Molecules that are far away only affect the long-time behavior. Because the residual coherence is simple to calculate and correlates well with the coherence time, it can be used as a descriptor for coherence in magnetic molecules. This work will help establish design principles for enhancing coherence in molecular spin qubits and serve to motivate further theoretical work

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Spin configurations on a decorated square lattice

Spin configurations on a decorated square lattice are investigated using Bertaut’s microscopic method. We have obtained collinear and non-collinear (canted) modes for the given wave vectors in the ground state. We have found ferromagnetic and antiferromagnetic commensurate spin configurations. We have found canted incommensurate spin configurations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Pentaquarks made of light quarks and their admixture to baryons

This paper is a continuation of our studies of multiquark hadrons. The antisymmetrization of their wave functions required by Fermi statistics is nontrivial, as it mixes orbital, color, spin, and flavor structures. In our previous papers we developed a method to find them based on the representations of the permutation group, and derived the explicit wave functions for baryons excited to the first and second shells (L = 1, 2), tetraquarks $qq$$\overline{q}$$\overline{q}$ and hexaquarks (6q). Now we apply it to light pentaquarks ($qqq$$\overline{q}$), in the S- and P-shells (L = 0, 1). Using Jacobi coordinates, one can use the hyperdistance approximation in 12-dimensional space. We further address the issue of “unquenching” of baryons, by considering their mixing with pentaquarks, via two channels, through the addition of σ-like or π-like $\overline{q}$$q$ pairs. This mixing is central for understanding of the observed flavor asymmetry of the antiquark sea, the amount of orbital motion issue as well as other nucleon properties.

Baryons↗
DOE OSTI2018

Excited states of Ca 39 and their significance in nova nucleosynthesis

Background: We report that discrepancies exist between the observed abundances of argon and calcium in oxygen-neon nova ejecta and those predicted by nova models. An improved characterization of the 38 K(p,γ) 39 Ca reaction rate over the nova temperature regime (~ 0.1-0.4 GK), and thus the nuclear structure of 39 Ca above the proton threshold (5770.92(63) keV), is necessary to resolve these contradictions. Purpose: The present study was performed to search for low-spin proton resonances in the 38 K + p system, and to improve the uncertainties in energies of the known astrophysically significant proton resonances in 39 Ca. Methods: The level structure of 39 Ca was investigated via high-resolution charged-particle spectroscopy with an Enge split-pole spectrograph using the 40 Ca( 3 He, α) 39 Ca reaction. Differential cross sections were measured over 6 laboratory angles at 21 MeV. Distorted-wave Born approximation calculations were performed to constrain the spin-parity assignments of observed levels with special attention to those significant in determination of the 38 K(p,γ) 39 Ca reaction rate over the nova temperature regime. Results: The resonance energies corresponding to two out of three astrophysically important states at 6154(5) and 6472.2(24) keV are measured with better precision than previous charged-particle spectroscopy measurements. A tentatively new state is discovered at 5908(3) keV. The spin-parity assignments of a few of the astrophysically important resonances are determined. Conclusions: Lastly, the present 38 K(p,γ) 39 Ca upper limit thermonuclear reaction rate at 0.1-0.4 GK is higher than that determined in [Physical Review C 97 (2018) 025802] by at most a factor of 1.4 at 0.1 GK.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Finite-temperature second-order many-body perturbation and Hartree–Fock theories for one-dimensional solids: An application to Peierls and charge-density-wave transitions in conjugated polymers

Finite-temperature extensions of ab initio Gaussian-basis-set spin-restricted Hartree–Fock (HF) and second-order many-body perturbation (MP2) theories are implemented for infinitely extended, periodic, one-dimensional solids and applied to the Peierls and charge-density-wave (CDW) transitions in polyyne and all-trans polyacetylene. The HF theory predicts insulating CDW ground states for both systems in their equidistant structures at low temperatures. In the same structures, they turn metallic at high temperatures. Starting from the “dimerized” low-temperature equilibrium structures, the systems need even higher temperatures to undergo a Peierls transition, which is accompanied by geometric as well as electronic distortions from dimerized to non-dimerized forms. The conventional finite-temperature MP2 theory shows a sign of divergence in any phase at any nonzero temperature and is useless. The renormalized finite-temperature MP2 (MP2R) theory is divergent only near metallic electronic structures, but is well behaved elsewhere. MP2R also predicts CDW and Peierls transitions occurring at two different temperatures. The effect of electron correlation is primarily to lower the Peierls transition temperature.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Addressing first derivative discontinuities in orbital-optimized opposite-spin scaled second-order perturbation theory with regularization

Orbital-optimized opposite-spin scaled second-order perturbation theory (O 2 ) generates a single-reference wave function composed of approximate Brueckner orbitals with fourth-order computational scaling. While O 2 provides significantly improved treatment of radicals by reducing spin contamination, it has been shown to suffer from first derivative discontinuities for bond stretching near the unrestriction point. That qualitative failure is resolved in this work by the implementation of regularized O 2 , which includes a regularization parameter in the denominator of its second-order term. The value of the regularization parameter is semi-empirically chosen to qualitatively describe bond stretching energetics of hydrogen, ethane and ethene, while also considering the effect of the regularization parameter on thermochemical errors for the well-known Gaussian-2 (G2) test set. The generality of the empirical scaling and semi-empirical regularization parameter is studied by application to the 3dMLBE20, DBH24, RSE43 and W4-11 test sets. We demonstrate that accuracy of O 2 is roughly maintained and sometimes even improved by regularization, with root mean squares of regularised O 2 between factors of 1.6 and 0.8 from corresponding root mean squares of O 2 .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Geometric effects in the effective-mass theory and topological optical superlattices

Cold atoms tailored by an optical lattice have become a fascinating arena for simulating quantum physics. In this area, one important and challenging problem is creating effective spin-orbit coupling (SOC), especially for fashioning a cold atomic gas into a topological phase, for which prevailing approaches mainly rely on the Raman coupling between the atomic internal states and a laser field. Herein, a strategy for realizing effective SOC is proposed by exploiting the geometric effects in the effective-mass theory, without resorting to internal atomic states. Furthermore, it is shown that the geometry of Bloch states can have nontrivial effects on the wave-mechanical states under external fields, leading to effective SOC and an effective Darwin term, which have been neglected in the standard effective-mass approximation. It is demonstrated that these relativisticlike effects can be employed to introduce effective SOC in a two-dimensional optical superlattice, and induce a nontrivial topological phase.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

The magnetic order in multiferroic DyMnO 3

We report that with flexibility in tuning their electric and magnetic properties, multiferroics can be used in information exchange and storage in ways that are very different from the present electronic materials. Here we use resonant soft X-ray scattering spectroscopy to study the F-type (0,τ,0) and C-type (0, 1–2τ, 0) diffraction peaks from sinusoidal antiferromagnetic spin order in multiferroic DyMnO 3 . By comparing the temperature dependence of ordering wave vectors τ, peak intensities I, and correlation lengths λ measured at Mn L 2 - , O K-, and Dy M 5 -edges, we show that the nearly perfect locking between the ordering wave vectors from Dy 4f states and Mn 3d orbitals manifesting the second harmonic diffraction peak implies the notable orbital involvement in the coupling between Mn and Dy spins. Our DFT calculations further suggest that the lattice response to different antiferromagnetic ground states (A-type versus E-type) is much weaker in TbMnO 3 , in agreement with previous claim that the symmetric exchange interaction can be an important factor for understanding the ferroelectricity in DyMnO 3 than in TbMnO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Probing the 𝑗 dependence of angular distributions and 𝑁=20 shell rigidity via the 36 S (𝑝,𝑑) 35 S reaction

An investigation of the N=20 36 S nucleus has been performed through a detailed study of the 3 6S (p,d)3 5S neutron-removal reaction, employing a 66-MeV proton beam at iThemba Laboratory for Accelerator Based Sciences and an innovative target design. Using the high-resolution K = 600 magnetic spectrometer, 98 states in 3 5S were identified up to 16-MeV excitation energy, including 47 previously unobserved states. Angular distributions and spectroscopic factors, including isobaric analog-state contributions, were extracted for 81 levels. A pronounced j dependence in the angular distributions of ℓ=2 states provides refined insights into the spin-orbit splitting. Finite-range adiabatic distorted-wave approximation calculations qualitatively reproduce the observed j dependence. Comparisons of the measured 1d 5/2 spectroscopic strength distribution with large-scale shell-model and ab initio calculations show good agreement overall, and the robustness of the N=20 shell closure in 36 S is confirmed when comparing the relatively low fp orbital occupancies in 40 Ca and 3 6S across the Fermi surface. This study underscores the utility of neutron-removal reactions in probing nuclear structure and the Fermi surface of sd nuclei and beyond. The findings advance our understanding of shell evolution and offer constraining data for theoretical models.

20 ≤ A ≤ 38↗
DOE OSTI2021

Light-wave control of correlated materials using quantum magnetism during time-periodic modulation of coherent transport

Light–wave quantum electronics utilizes the oscillating carrier wave to control electronic properties with intense laser pulses. Without direct light–spin interactions, however, magnetic properties can only be indirectly affected by the light electric field, mostly at later times. A grand challenge is how to establish a universal principle for quantum control of charge and spin fluctuations, which can allow for faster-than-THz clock rates. Using quantum kinetic equations for the density matrix describing non–equilibrium states of Hubbard quasiparticles, here we show that time–periodic modulation of electronic hopping during few cycles of carrier–wave oscillations can dynamically steer an antiferromagnetic insulating state into a metalic state with transient magnetization. While nonlinearities associated with quasi-stationary Floquet states have been achieved before, magneto–electronics based on quasiparticle acceleration by time–periodic multi–cycle fields and quantum femtosecond/attosecond magnetism via strongly–coupled charge–spin quantum excitations represents an alternative way of controlling magnetic moments in sync with quantum transport.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Ne 21 energy levels approaching the α -particle threshold

Nuclei around Ne 20 exhibit an interplay of different excitations caused by different aspects of nuclear structure, including single-particle and multiparticle configurations and collective rotations. One-nucleon transfer reactions selectively probe single-particle structures in these nuclei. These nuclei are also important to astrophysics, with a number of important reactions proceeding through this mass region. Energy levels approaching the α -particle threshold in Ne 21 are of importance to nuclear structure. The Ne 20 ( d , p ) Ne 21 reaction was measured and the corresponding spectroscopic nuclear information was extracted. States in Ne 21 were populated using the Ne 20 ( d , p ) Ne 21 reaction in forward kinematics. Protons were identified in the Triangle Universities Nuclear Laboratory (TUNL) Enge split-pole spectrograph and angular distributions were extracted. Spin-party assignments were made and neutron partial widths were determined based on distorted-wave Born approximation (DWBA) analysis. Several new energy levels were observed at energies of 7176, 7235, 7250, and 7337 keV, and spin-parities are reported which generally agree with previous results where literature was available. Spin and parity assignments are reported for several energy levels along with estimated neutron widths for those states above the neutron threshold ( S n = 6761 keV ). Results from this study are placed in context with a review of the available literature on all known states in this energy region of Ne 21 . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Chiral terahertz wave emission from the Weyl semimetal TaAs

Weyl semimetals host chiral fermions with distinct chiralities and spin textures. Optical excitations involving those chiral fermions can induce exotic carrier responses, and in turn lead to novel optical phenomena. Here, we discover strong coherent terahertz emission from Weyl semimetal TaAs, which is demonstrated as a unique broadband source of the chiral terahertz wave. The polarization control of the THz emission is achieved by tuning photoexcitation of ultrafast photocurrents via the photogalvanic effect. In the near-infrared regime, the photon-energy dependent nonthermal current due to the predominant circular photogalvanic effect can be attributed to the radical change of the band velocities when the chiral Weyl fermions are excited during selective optical transitions between the tilted anisotropic Weyl cones and the massive bulk bands. Our findings provide a design concept for creating chiral photon sources using quantum materials and open up new opportunities for developing ultrafast opto-electronics using Weyl physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗