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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantum Light Emission from Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Solid-state single-photon sources are essential building blocks for quantum photonics and quantum information technologies. This study demonstrates promising single-photon emission from quantum defects generated in single-wall carbon nanotubes (SWCNTs) by covalent reaction with guanine nucleotides in their single-stranded DNA coatings. Low-temperature photoluminescence spectroscopy and photon-correlation measurements on individual guanine-functionalized SWCNTs (GF-SWCNTs) indicate that multiple, closely spaced guanine defect sites within a single ssDNA strand collectively form an exciton trapping potential that supports a localized quantum state capable of room-temperature single-photon emission. In addition, exciton traps from adjacent ssDNA strands are weakly coupled to give cross-correlations between their separate photon emissions. Theoretical modeling identifies coupling mechanism as a capture of band-edge excitons. Finally, because the spatial pattern of nanotube functionalization sites can be readily controlled by selecting ssDNA base sequences, GF-SWCNTs should become a versatile family of quantum light emitters with engineered properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photon pumping in a weakly-driven quantum cavity–spin system

Highlights: • We study photon frequency conversion in a driven spin coupled to a cavity mode. • Quantized frequency conversion is excpected in the strong-drive adiabatic limit. • A new photon pumping effect is established in the accessible weak drive regime. • Pumping is linked to the delocalization of the corresponding Floquet states. • Quantum coherence is preserved in both the strong and ultraweak-drive limits. We investigate the photon pumping effect in a topological model consisting of a periodically driven spin-1/2 coupled to a quantum cavity mode out of the adiabatic limit. In the strong-drive adiabatic limit, a quantized frequency conversion of photons is expected as the temporal analog of the Hall current. We numerically establish a novel photon pumping phenomenon in the experimentally accessible nonadiabatic driving regime for a broad region of the parameter space. The photon frequency conversion efficiency exhibits strong fluctuations and high efficiency that can reach up 80% of the quantized value for commensurate frequency combinations. We link the pumping properties to the delocalization of the corresponding Floquet states which display multifractal behavior as the result of hybridization between localized and delocalized sectors. Finally we demonstrate that the quantum coherence properties of the initial state are preserved during the frequency conversion process in both the strong and ultra-weak-drive limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Theory of activated glassy dynamics in randomly pinned fluids

We generalize the force-level, microscopic, Nonlinear Langevin Equation (NLE) theory and its elastically collective generalization [elastically collective nonlinear Langevin equation (ECNLE) theory] of activated dynamics in bulk spherical particle liquids to address the influence of random particle pinning on structural relaxation. The simplest neutral confinement model is analyzed for hard spheres where there is no change of the equilibrium pair structure upon particle pinning. As the pinned fraction grows, cage scale dynamical constraints are intensified in a manner that increases with density. This results in the mobile particles becoming more transiently localized, with increases of the jump distance, cage scale barrier, and NLE theory mean hopping time; subtle changes of the dynamic shear modulus are predicted. The results are contrasted with recent simulations. Similarities in relaxation behavior are identified in the dynamic precursor regime, including a roughly exponential, or weakly supra-exponential, growth of the alpha time with pinning fraction and a reduction of dynamic fragility. However, the increase of the alpha time with pinning predicted by the local NLE theory is too small and severely so at very high volume fractions. The strong deviations are argued to be due to the longer range collective elasticity aspect of the problem which is expected to be modified by random pinning in a complex manner. A qualitative physical scenario is offered for how the three distinct aspects that quantify the elastic barrier may change with pinning. ECNLE theory calculations of the alpha time are then presented based on the simplest effective-medium-like treatment for how random pinning modifies the elastic barrier. The results appear to be consistent with most, but not all, trends seen in recent simulations. Key open problems are discussed with regard to both theory and simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On LPMHSS-based iteration methods for a class of weakly nonlinear systems

In this paper, for a class of the large sparse system of weakly nonlinear equations, combining separable property of the linear and nonlinear terms with the lopsided Hermitian and skew-Hermitian splitting (LHSS) of the coefficient matrix, the Picard-LPMHSS and nonlinear LPMHSS-like iteration methods are presented. Theoretical analysis shows that these methods are locally convergent under suitable conditions. Numerical results show that both Picard-LPMHSS and nonlinear LPMHSS-like iteration methods are feasible and effective for the large-scale system of weakly nonlinear equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Visualizing electron localization of WS 2 /WSe 2 moiré superlattices in momentum space

The search for materials with flat electronic bands continues due to their potential to drive strong correlation and symmetry breaking orders. Electronic moirés formed in van der Waals heterostructures have proved to be an ideal platform. However, there is no holistic experimental picture for how superlattices modify electronic structure. By combining spatially resolved angle-resolved photoemission spectroscopy with optical spectroscopy, we report the first direct evidence of how strongly correlated phases evolve from a weakly interacting regime in a transition metal dichalcogenide superlattice. By comparing short and long wave vector moirés, we find that the electronic structure evolves into a highly localized regime with increasingly flat bands and renormalized effective mass. The flattening is accompanied by the opening of a large gap in the spectral function and splitting of the exciton peaks. These results advance our understanding of emerging phases in moiré superlattices and point to the importance of interlayer physics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Delocalization Transition of a Disordered Axion Insulator

The axion insulator is a higher-order topological insulator protected by inversion symmetry. We show that, under quenched disorder respecting inversion symmetry on average, the topology of the axion insulator stays robust, and an intermediate metallic phase in which states are delocalized is unavoidable at the transition from an axion insulator to a trivial insulator. We derive this conclusion from general arguments, from classical percolation theory, and from the numerical study of a 3D quantum network model simulating a disordered axion insulator through a layer construction. We find the localization length critical exponent near the delocalization transition to be ν = 1.42 ± 0.12. We further show that this delocalization transition is stable even to weak breaking of the average inversion symmetry, up to a critical strength. Finally, we also quantitatively map our quantum network model to an effective Hamiltonian and we find its low-energy k ∙ p expansion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Interior energy error estimates for the weak Galerkin finite element method

Consider the Poisson equation in a polytopal domain ΩRC d (d=2,3) as the model problem. In this paper, we study interior energy error estimates for the weak Galerkin finite element approximation to elliptic boundary value problems. In particular, we show that the interior error in the energy norm is bounded by three components: the best local approximation error, the error in negative norms, and the trace error on the element boundaries. This implies that the interior convergence rate can be polluted by solution singularities on the domain boundary, even when the solution is smooth in the interior region. Numerical results are reported to support the theoretical findings. Lastly, to the best of our knowledge, this is the first local energy error analysis that applies to general meshes consisting of polytopal elements and hanging nodes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Structure constants in $ \mathcal{N} $ = 4 SYM at finite coupling as worldsheet g-function

We develop a novel nonperturbative approach to a class of three-point functions in planar $ \mathcal{N} $ N = 4 SYM based on Thermodynamic Bethe Ansatz (TBA). More specifically, we study three-point functions of a non-BPS single-trace operator and two determinant operators dual to maximal Giant Graviton D-branes in AdS 5 × S 5 . They correspond to disk one-point functions on the worldsheet and admit a simpler and more powerful integrability description than the standard single-trace three-point functions. We first introduce two new methods to efficiently compute such correlators at weak coupling; one based on large N collective fields, which provides an example of open-closed-open duality discussed by Gopakumar, and the other based on combinatorics. The results so obtained exhibit a simple determinant structure and indicate that the correlator can be interpreted as a generalization of g -functions in 2d QFT; an overlap between an integrable boundary state and a state corresponding to the single-trace operator. We then determine the boundary state at finite coupling using the symmetry, the crossing equation and the boundary Yang-Baxter equation. With the resulting boundary state, we derive the ground-state g -function based on TBA and conjecture its generalization to other states. This is the first fully nonperturbative proposal for the structure constants of operators of finite length. The results are tested extensively at weak and strong couplings. Finally, we point out that determinant operators can provide better probes of sub-AdS locality than single-trace operators and discuss possible applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Reevaluating uncertainties in $\overline{B}$→ X s γ decay

The rare decay $\overline{B}$→ X s γ is an important probe of physics beyond the standard model. The largest uncertainty on the total rate and the CP asymmetry arises from resolved photon contributions. These appear first at order 1/m b and are related to operators other than Q 7γ in the effective weak Hamiltonian. One of the three leading contributions, Q${q}\atop1$- Q 7γ , is described by a non-local function whose moments are related to HQET parameters. We use recent progress in our knowledge of these parameters to reevaluate the resolved photon contribution to $\overline{B}$→ X s γ total rate and CP asymmetry.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Southern Ocean Precipitation Characteristics Observed From CloudSat and Ground Instrumentation During the Macquarie Island Cloud & Radiation Experiment (MICRE): April 2016 to March 2017

A 1-year blended surface precipitation data set using Parsivel disdrometer, surface W-band radar, and tipping bucket measurements is produced for the Macquarie Island Cloud and Radiation Experiment (MICRE) and compared with retrievals from CloudSat (spaceborne 94 GHz radar). Surface precipitation was observed 44% ± 4% of the time between April 2016 and March 2017. Precipitation composed primarily of small particles (diameter <1 mm) occurred about 36% ± 2% of the time, constituting 10% of total accumulation. Remaining precipitation contained enough large particles such that the disdrometer could be used to identify the precipitation type as rain, ice, snow or wet snow. Seasonal and annual statistics on frequency of occurrence and accumulation for each precipitation type observed during MICRE are presented. Most ice and mixed phase precipitation was shallow, originating at a height of 3 km or lower, and occurred most often when Macquarie Island was to the northwest of the nearest cyclonic low-pressure center. In contrast, rain was more often deep and occurred most frequently when the island was to the southeast of cyclonic lows. A weak diurnal cycle in frequency and mean rate was present with a minimum between 12:00 and 14:00 local time and maximum between 03:00 and 06:00 local time. The CloudSat 2C-Precip-Column product missed the lightest precipitation (because the near-surface reflectivity is <-15 dBZ) and overestimated total liquid precipitation and occurrence of mixed phase precipitation, but captured reasonably well the distribution of rain rates for rates >0.5 mm/hr.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Discovery of charge density wave in a kagome lattice antiferromagnet

A hallmark of strongly correlated quantum materials is the rich phase diagram resulting from competing and intertwined phases with nearly degenerate ground state energies. A well-known example is the copper oxides, where a charge density wave (CDW) is ordered well above and strongly coupled to the magnetic order to form spin-charge separated stripes that compete with superconductivity. Recently, such rich phase diagrams have also been revealed in correlated topological materials. In two-dimensional kagome lattice metals consisting of corner-sharing triangles, the geometry of the lattice can produce flat bands with localized electrons, non-trivial topology, chiral magnetic order, superconductivity and CDW order. While CDW has been found in weakly electron correlated nonmagnetic AV 3 Sb 5 (A = K, Rb, Cs), it has not yet been observed in correlated magnetic ordered kagome lattice metals. Here we report the discovery of CDW within the antiferromagnetic (AFM) ordered phase of kagome lattice FeGe. The CDW in FeGe occurs at wavevectors identical to that of AV 3 Sb 5 , enhances the AFM ordered moment, and induces an emergent anomalous Hall effect. Furthermore, our findings suggest that CDW in FeGe arises from the combination of electron correlations-driven AFM order and van Hove singularities-driven instability possibly associated with a chiral flux phase, in stark contrast to strongly correlated copper oxides and nickelates, where the CDW precedes or accompanies the magnetic order.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Mechanics of cantilever beam: Implementation and comparison of FEM and MLPG approach

Two weak form solution approaches for partial differential equations, the well known meshbased finite element method and the newer meshless local Petrov Galerkin method are described and compared on a standard test case - mechanics of cantilever beam. The implementation, solution accuracy and calculation complexity are addressed for both approaches. We found out that FEM is superior in most standard criteria, but MLPG has some advantages because of its flexibility that results from its general formulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Learning how structures form in drift-wave turbulence

Drift-wave turbulence produces anomalous transport via cross-correlations between fluctuations. This transport has profound implications for confinement, structure formation, and virtually all aspects of the non-linear turbulent dynamics. Herein, we use a data-driven method based on deep learning in order to study turbulent transport in the 2D Hasegawa–Wakatani system and infer a reduced mean-field model from numerical solution. In addition to the usual turbulent diffusion, we find an effect which couples the particle flux to the local gradient of vorticity, which tends to modulate the density profile. The direct coupling to the shear is relatively weak. In addition, the deep learning method finds a model for spontaneous zonal flow generation by negative viscosity, stabilized by non-linear and hyperviscous terms. We compare these results to analytic calculations using quasilinear theory and wave kinetics, finding qualitative agreement, though the calculations miss certain higher-order effects. A simplified, 1-D model for the evolution of the profile, flow, and intensity based on the deep learning results is solved numerically and compared to previous models for staircasing based on bistability. We see that the physics uncovered by the deep learning method provided simple explanations for the formation of zonal structures in the density, flow, and turbulence fields. We highlight the important role of symmetry in the deep learning method and speculate on the portability of the method to other applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1993

Mars: Noachian hydrology by its statistics and topology

Discrimination between fluvial features generated by surface drainage and subsurface aquifer discharges will provide clues to the understanding of early Mars' climatic history. Our approach is to define the process of formation of the oldest fluvial valleys by statistical and topological analyses. Formation of fluvial valley systems reached its highest statistical concentration during the Noachian Period. Nevertheless, they are a scarce phenomenom in Martian history, localized on the craterized upland, and subject to latitudinal distribution. They occur sparsely on Noachian geological units with a weak distribution density, and appear in reduced isolated surface (around 5 x 10(exp 3)(sq km)), filled by short streams (100-300 km length). Topological analysis of the internal organization of 71 surveyed Noachian fluvial valley networks also provides information on the mechanisms of formation.

Cabrol, N. A.↗
NASA NTRS2005

Phase control of electromagnetically induced transparency and its applications to tunable group velocity and atom localization

We show that, by simple modifications of the usual three-level lambda-type scheme used in electromagnetically induced transparency (EIT) schemes, phase dependence in the response of the atomic medium to a weak probe field can be introduced. This gives rise to phase dependent susceptibility. By properly controlling phase and amplitudes of the drive fields we obtain variety of interesting effects. On one hand we obtain phase control of the group velocity of a probe field passing through medium to the extend that continuous tuning of the group velocity from subluminal to superluminal and back is possible. While on the other hand, by choosing one of the drive fields to be a standing wave field inside a cavity, we obtain sub-wavelength localization of moving atoms passing through the cavity field.

Zubairy, M. Suhail↗
DOE OSTI2022

Hybrid SERS platform by adapting both chemical mechanism and electromagnetic mechanism enhancements: SERS of 4-ATP and CV by the mixture with GQDs on hybrid PdAg NPs

Surface-enhanced Raman spectroscopy (SERS) is a versatile analytical technique widely adapted for the identification of target analytes even at an extremely low concentration. Herein, a unique hybrid SERS platform is demonstrated by utilizing the graphene quantum dots (GQDs) and hybrid PdAg NPs for the detection of 4-amino-thiophenol (4-ATP) and crystal violet (CV). GQDs offer the rich charge transfer to the LUMO and HOMO of 4-ATP and CV by the CM enhancement. A significant EM enhancement is achieved by the strong localized surface plasmon resonance (LSPR) of uniquely designed hybrid core-shell PdAg NP, possessing the narrow nano-gaps with the highly dense small Ag NPs and Pd core Ag shell configuration. As a result, orders of enhancement of originally weak 4-ATP and CV Raman signal is witnessed by the combination of electromagnetic mechanism (EM) and chemical mechanism (CM) enhancements on a single SERS substrate. The hybrid GQD/HNP SERS substrate demonstrates significantly improved hot spots and strongly localized electromagnetic fields as confirmed by the finite-difference time-domain (FDTD) simulations. There for a proper mixture ratio of GQDs and probe molecules presents largely enhanced SERS signals by a strong adsorption of probe molecules through π - π interaction and the enhancement factors vary by the mixture ratio depending on the adsorption kinetics and Raman cross-section of molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Winding θ and destructive interference of instantons

While the θ dependence of field theories is 2π periodic, the ground-state wavefunctions at θ and θ + 2π often belong to different classes of symmetry-protected topological states. When this is the case, a continuous change of the θ parameter can introduce an interface that supports a nontrivial field theory localized on the wall. We consider the 2d CP N-1 sigma model as an example and construct a weak-coupling setup of this interface theory by considering the small S1 compactification with nonzero winding θ parameter and a suitable symmetry-twisted boundary condition. This system has N classical vacua connected by fractional instantons, but the anomaly constraint tells us that the fractional-instanton amplitudes should vanish completely to have N-fold degeneracy at the quantum level. We show how this happens in this purely bosonic system, uncovering that the integration over the zero modes annihilates the fractional instanton amplitudes, in sharp contrast to what happens when the θ angle is constant. Moreover, we provide another explanation of this selection rule by showing that the N perturbative vacua acquire different charges under the global symmetry with the activation of the winding θ angle. We also demonstrate a similar destructive interference between instanton effects in the CP N-1 quantum mechanics with the Berry phase.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Re-entrant relaxor ferroelectricity of methylammonium lead iodide

In this paper, we have performed a piezoresponse force microscopy (PFM) study on methylammonium lead iodide (MAPbI 3 ) thin films in normal (non-resonance, non-band-excitation) contact mode. In contrast to the ferroelectric Pb 0.76 Ca 0.24 TiO 3 (PCT) control sample, a typical ferroelectric response was not observed. However, a nonlinear electric field dependence of the local PFM amplitude was found in MAPbI 3 , similar to PCT. An analysis combining results on structure, dielectric dispersion, and weak ferroelectricity demonstrates that MAPbI 3 is actually a re-entrant relaxor ferroelectric which, upon cooling, enters into a relaxor phase below its ferroelectric phase transition at ~327 K, due to the balance between the long range ferroelectric order and structural methylammonium group orientational disorder. The ferroelectricity at room temperature is compromised due to the re-entrant relaxor behavior, causing the poor polarization retention or weak ferroelectricity. Finally, our findings essentially conciliate the conflicting experimental results on MAPbI 3 's ferroelectricity and are beneficial both for basic understanding as well as for device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗