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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Chemical information from XPS: Theory and experiment for Ni(OH) 2

For this work, the features and the electronic character of the states for the Ni 2p x-ray photoelectron spectroscopy (XPS) of Ni(OH) 2 were analyzed. This detailed analysis is based on ab initio molecular orbital wavefunctions for a cluster model of Ni(OH) 2 . The theory is validated by comparison with experiment. Then, advanced methods are used to explain and contrast the properties of different groups of ionic states. An important conclusion is that in most cases, the ionic states cannot be described with a single configuration or determinant. Despite this essential many-body character of the XPS, we demonstrate that it is possible to understand the origin of the main and satellite XPS features in terms of their orbital character.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Random singlet-like state in the dimer-based triangular antiferromagnet Ba 6 Y 2 Rh 2 Ti 2 O 17 − δ

We present the magnetic, thermodynamic, and muon spin relaxation ( μ SR ) results of the dimer-based triangular antiferromagnet Ba 6 Y 2 Rh 2 Ti 2 O 17 − δ . The magnetic susceptibility data show the sub-Curie-Weiss behavior χ ( T ) ∝ T − α χ below 100 K, suggesting random magnetism. The isothermal magnetization results reveal the presence of weakly interacting structural orphan spins about 6.1 % at 2 K, arising from the oxygen deficiency. The comprehensive μ SR experiments exhibit the coexisting relaxing and nonrelaxing components along with the thermally activated behavior in the muon spin relaxation rate, reflecting the fluctuating orphan spins in the dimer singlet background. In addition, we observe the scaling behavior of M ( H , T ) in H / T and P z ( t ) in t / H LF with the scaling exponents α χ = α M = 0.75 and α μ = 0.72 , respectively, but not for the magnetic specific heat data. The failure of the scaling relation in C m ( H , T ) / T implies low-energy excitations dressed by the conventional orphan spins. Based on these observations, we find that the magnetic ground state resembles random singlets and discuss the possible configurations of the spin dimer unit Rh 2 O 9 . Our results shed light on the role of quenched disorder in the dimer-based frustrated magnets. Published by the American Physical Society 2024

Lee, Wonjun (ORCID:000000034848852X)↗
NASA NTRS1991

Simulation of three-dimensional liquid sloshing flows using a strongly implicit calculation procedure

A coupled strongly implicit solution strategy for unsteady three-dimensional free surface flows has been developed based on an artificial compressibility formulation for the incompressible Navier-Stokes equations. A pseudotime term has been used in the continuity equation to permit time accurate calculations to be achieved. The scheme appears capable of tracking the free surface reasonably accurately inside a partially-filled spherical container undergoing a general rotating motion characteristic of that experienced by a spin-stabilized satellite. Five different free surface calculations have been presented. Some of the results exhibit an interesting Reynolds number dependent oscillatory behavior which is believed to be physical although no experimental results appears to be available for verification to date.

Chen, K.-H.↗
NASA NTRS2013

SMAP Instrument Mechanical System Engineering

The Soil Moisture Active Passive (SMAP) mission, scheduled for launch by the end of 2014, is being developed to measure the soil moisture and soil freeze/thaw state on a global scale over a three-year period. The accuracy, resolution, and global coverage of SMAP measurements are invaluable across many science and applications disciplines including hydrology, climate, carbon cycle, and the meteorological, environment, and ecology applications communities. The SMAP observatory is composed of a despun bus and a spinning instrument platform that includes both a deployable 6 meter aperture low structural frequency Astromesh reflector and a spin control system. The instrument section has engendered challenging mechanical system issues associated with the antenna deployment, flexible antenna pointing in the context of a multitude of disturbances, spun section mass properties, spin control system development, and overall integration with the flight system on both mechanical and control system levels. Moreover, the multitude of organizations involved, including two major vendors providing the spin subsystem and reflector boom assembly plus the flight system mechanical and guidance, navigation, and control teams, has led to several unique system engineering challenges. Capturing the key physics associated with the function of the flight system has been challenging due to the many different domains that are applicable. Key interfaces and operational concepts have led to complex negotiations because of the large number of organizations that integrate with the instrument mechanical system. Additionally, the verification and validation concerns associated with the mechanical system have had required far-reaching involvement from both the flight system and other subsystems. The SMAP instrument mechanical systems engineering issues and their solutions are described in this paper.

mechanical systems.↗
DOE OSTI2026

Chiral superconductivity from a parent Chern band and its non-Abelian generalization

Here, we propose a minimal model starting from a parent Chern band with quartic dispersion that can describe the spin-valley polarized electrons in rhombohedral tetralayer graphene. The interplay between repulsive and attractive interactions on top of that parent Chern band is studied. We conduct standard self-consistent mean-field calculations, and find a rich phase diagram that consists of metal, quantum anomalous Hall crystal, chiral topological superconductor, as well as trivial gapped Bose-Einstein condensate. In particular, there exists a topological phase transition from the chiral superconductor to the Bose-Einstein condensate at zero temperature. Motivated by the recent experimental and theoretical studies of composite Fermi liquid in rhombohedral stacked multilayer graphene, we further generalize the physical electron model to its composite fermion counterpart based on a field theory analysis. The chiral superconductor phase of the composite fermion becomes the non-abelian Moore-Read quantum Hall phase. We argue that a chiral (pseudo-)spin liquid phase can emerge in the vicinity of this Moore-Read quantum Hall phase. Our work suggests rhombohedral multilayer graphene as a potential platform for rich correlated topological phases.

Wang, Yan-Qi [University of Maryland, College Park↗
DOE OSTI2025

Status of the Proton EDM Experiment (pEDM)

The Proton EDM Experiment (pEDM) is the first direct search for the proton electric dipole moment (EDM) with the aim of being the first experiment to probe the Standard Model (SM) prediction of any particle EDM. Phase-I of pEDM will achieve $10^{-29} e\cdot$cm, improving current indirect limits by four orders of magnitude. This will establish a new standard of precision in nucleon EDM searches and offer a unique sensitivity to better understand the Strong CP problem. The experiment is ideally positioned to explore physics beyond the Standard Model (BSM), with sensitivity to axionic dark matter via the signal of an oscillating proton EDM and across a wide mass range of BSM models from $\mathcal{O}(1\text{GeV})$ to $\mathcal{O}(10^3\text{TeV})$. Utilizing the frozen-spin technique in a highly symmetric storage ring that leverages existing infrastructure at Brookhaven National Laboratory (BNL), pEDM builds upon the technological foundation and experimental expertise of the highly successful Muon $g$$-$$2$ Experiments. With significant R&D and prototyping already underway, pEDM is preparing a conceptual design report (CDR) to offer a cost-effective, high-impact path to discovering new sources of CP violation and advancing our understanding of fundamental physics. It will play a vital role in complementing the physics goals of the next-generation collider while simultaneously contributing to sustaining particle physics research and training early-career researchers during gaps between major collider operations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurements of the $Z$ 0 /$γ$* cross section and transverse single spin asymmetry in 510 GeV $p$ + $p$ collisions

The differential cross section for Z 0 production, measured as a function of the boson’s transverse momentum (p T ), provides important constraints on the evolution of the transverse momentum dependent parton distribution functions (TMDs). The transverse single spin asymmetry (TSSA) of the Z 0 is sensitive to one of the polarized TMDs, the Sivers function, which is predicted to have the opposite sign in p + p → W/Z + X from that which enters in semi-inclusive deep inelastic scattering. In this Letter, the STAR Collaboration reports the first measurement of the Z 0 /γ* differential cross section as a function of its p T in p+p collisions at a center-of-mass energy of 510 GeV, together with the Z 0 /γ* total cross section. We also report the measurement of Z 0 /γ* TSSA in transversely polarized p+p collisions at 510 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Magnetic semiconductors from functionalized Cr 2 ⁢C MXenes

Here, we report an ab initio investigation of functionalized and 3⁢𝑑-electron-doped Cr 2 ⁢C MXenes. Upon functionalization, the Cr 2⁢ C becomes chemically, dynamically, and mechanically stable, and it exhibits magnetic semiconducting behavior. Cr 2 ⁢CF 2 stands out as a wide band gap semiconductor, possessing superexchange interaction mediated by F atoms within the layer; however, the applied strain transforms it from an indirect to a direct band gap semiconductor. Strong spin-phonon coupling found in Cr 2 ⁢CH 2 is supported by the distorted Cr spin density due to the hydrogen environment. Two magnon branches, associated with two sublattice spins, are found in the ferromagnetic Cr 2 ⁢CO 2 and antiferromagnetic Cr 2 ⁢CF 2 . Depending on the types of 3⁢𝑑-electron dopants and functionalization, Cr 2 ⁢C MXenes (except for Cr 2 ⁢CO 2 ) change from an indirect band gap magnetic semiconductor to different states of electronic and magnetic matter, including an exotic direct band gap magnetic bipolar semiconductor. In addition, we reveal a band inversion between the two highest valence bands in the Fe-doped Cr 2 ⁢CCl 2 .

2D materials↗
DOE OSTI2024

Luttinger liquid phase in the Aubry-André Hubbard chain

We study the interplay between an on-site Hubbard repulsion and quasiperiodic potential in one-dimensional fermion chains using the density matrix renormalization group. We find that, at half-filling, the quasiperiodic potential can destroy the Mott gap, leading to a metallic Luttinger liquid phase between the gapped Mott insulator at strong repulsion and localized gapless Aubry- André insulator at strong quasiperiodic potential. Away from half-filing, the metallic phase of the interacting model persists to larger critical strengths of the potential than in the non-interacting case, suggesting interaction-stabilized delocalization at finite doping. Here, we characterize the Luttinger liquid through its charge and spin correlations, structure factors, and entanglement entropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Error-Free and Current-Driven Synthetic Antiferromagnetic Domain Wall Memory Enabled by Channel Meandering

We propose a new type of energy-efficient multi-bit magnetic memory based on current-driven, field-free, controlled domain wall motion. A meandering domain wall channel with precisely interspersed pinning regions provides the multi-bit capability of a magnetic tunnel junction memory. The magnetic free layer of the memory device has perpendicular magnetic anisotropy (PMA) and interfacial Dzyaloshinskii-Moriya interaction (DMI) so that spin-orbit torques (SOTs) induce efficient domain wall motion. Using micromagnetic simulations, we find two different cell designs: two-way switching and four-way switching. The memory cell design choices and the physics of pinning mechanisms are discussed in detail. Furthermore, we show that switching reliability and speed may be significantly improved by replacing the ferromagnetic free layer with a synthetic antiferromagnetic (SAF) layer. Switching behavior and material choices will be discussed for the two memory implementations.

magnetic domain wall↗
DOE OSTI2025

Electrical Control of the Nuclear Spin States of Rare-Earth Adatoms

Rare-earth adatoms on surfaces have been studied for potential atomic-scale magnetic storage, quantum sensing, and quantum computing applications. Despite accumulating experimental efforts, a comprehensive description of the electronic configurations of the adatoms remains elusive. Here, we investigate two charge states and several electronic configurations, including 5d and 6s valence shells, for a Sm adatom on a MgO substrate using multiconfigurational ab initio methods, for the possibility of using the Sm nuclear spin levels as qubits. For the configurations in a neutral charge state, we find that the electronic ground state is a singlet, and thus the hyperfine interaction associated with the 147 Sm nucleus is absent, which may greatly enhance nuclear spin coherence time. The degeneracy of the nuclear levels is lifted by the nuclear quadrupole interaction. We show that the splitting of the nuclear levels can be controlled by a static electric field, and that Rabi oscillations between the nuclear levels can be induced by a time-dependent electric field. For the configurations in a singly charged state, electronic Kramers doublets are formed. The electronic configurations including an unpaired 6s orbital exhibit a strong hyperfine Stark effect due to a large Fermi contact contribution to the hyperfine interaction. In these configurations, electric-field-induced Rabi oscillations between the electronic-nuclear levels can occur at frequencies up to 3 orders of magnitude higher than those for the neutral charge state. The proposed system may be experimentally observed within scanning tunneling microscopy.

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

Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically generate long and deep quantum circuits; gate-efficient universal operator pools generally break symmetries; and gate-efficient, fully symmetry-adapted operator pools may not be universal. In this work, we analyze such symmetry dilemmas both theoretically and numerically. On the theory side, we prove that the popular, gate-efficient operator pool consisting of singlet spin-adapted singles and perfect-pairing doubles is not universal when spatial symmetry is enforced. To demonstrate the strengths and weaknesses of the three types of pools, we perform numerical simulations using an adaptive algorithm paired with operator pools that are (i) fully symmetry-adapted and universal, (ii) fully symmetry-adapted and non-universal, and (iii) breaking a single symmetry and universal. Our numerical simulations encompass three physically relevant scenarios in which the target state is (i) the global ground state, (ii) the ground state crossed by a state differing in multiple symmetry properties, and (iii) the ground state crossed by a state differing in a single symmetry property. Our results show when symmetry-breaking but universal pools can be used safely, when enforcing at least one distinguishing symmetry suffices, and when a particular symmetry must be rigorously preserved to avoid variational collapse. Together, the formal and numerical analyses provide a practical guide for designing and benchmarking symmetry-adapted operator pools that balance universality, resource requirements, and robust state targeting in quantum simulations for chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

A Computational Investigation of Gear Windage

A CFD method has been developed for application to gear windage aerodynamics. The goals of this research are to develop and validate numerical and modeling approaches for these systems, to develop physical understanding of the aerodynamics of gear windage loss, including the physics of loss mitigation strategies, and to propose and evaluate new approaches for minimizing loss. Absolute and relative frame CFD simulation, overset gridding, multiphase flow analysis, and sub-layer resolved turbulence modeling were brought to bear in achieving these goals. Several spur gear geometries were studied for which experimental data are available. Various shrouding configurations and free-spinning (no shroud) cases were studied. Comparisons are made with experimental data from the open literature, and data recently obtained in the NASA Glenn Research Center Gear Windage Test Facility. The results show good agreement with experiment. Interrogation of the validative and exploratory CFD results have led, for the first time, to a detailed understanding of the physical mechanisms of gear windage loss, and have led to newly proposed mitigation strategies whose effectiveness is computationally explored.

Hill, Matthew J.↗
DOE OSTI2024

Quantum simulation of an extended Dicke model with a magnetic solid

Abstract The Dicke model describes the cooperative interaction of an ensemble of two-level atoms with a single-mode photonic field and exhibits a quantum phase transition as a function of light–matter coupling strength. Extending this model by incorporating short-range atom–atom interactions makes the problem intractable but is expected to produce new physical phenomena and phases. Here, we simulate such an extended Dicke model using a crystal of ErFeO 3 , where the role of atoms (photons) is played by Er 3+ spins (Fe 3+ magnons). Through terahertz spectroscopy and magnetocaloric effect measurements as a function of temperature and magnetic field, we demonstrated the existence of a novel atomically ordered phase in addition to the superradiant and normal phases that are expected from the standard Dicke model. Further, we elucidated the nature of the phase boundaries in the temperature–magnetic-field phase diagram, identifying both first-order and second-order phase transitions. These results lay the foundation for studying multiatomic quantum optics models using well-characterized many-body solid-state systems.

Marquez Peraca, Nicolas↗
NASA NTRS2012

Burst Oscillation Probes of Neutron Stars and Nuclear Burning with LOFT

X-ray brightness oscillations during thermonuclear X-ray bursts--burst oscillations--have provided a new probe of neutron star spins as well as of the dependent nuclear burning processes. The frequency drift and amplitude evolution of the oscillations observed during bursts can in principle place constraints on the physics of thermonuclear flame spreading and the dynamics of the burning atmosphere. I use simulations appropriate to LOFT to explore the precision with which the time dependence of the oscillation frequency can be inferred. This can test, for example, different models for the frequency drift, such as up-lift versus geostrophic drift. I also explore the precision with which asymptotic frequencies can be constrained in order to estimate the capability for LOFT to detect the Doppler shifts induced by orbital motion of the neutron star from a sample of bursts at different orbital phases.

Strohmayer, Tod↗