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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Dirac points and van Hove singularities of silicene under uniaxial strain

First-principles calculations have been performed to investigate the low energy electronic properties and van Hove singularities (VHSs) of silicene under uniaxial strain. The Dirac points (DPs) persist when silicene is stretched uniaxially, while they are shifted away from the corners (K points) of the first Brillouin zone (FBZ). The relative positions of DPs with respect to the K points for silicene strained along the armchair (AC) or zigzag (ZZ) direction show opposite tendency compared with strained graphene, which is due to the larger deformation of the unit cell of strained silicene than that of strained graphene. Moreover, for silicene under AC or ZZ strain, the Fermi velocities around DPs along the positive and negative directions of the FBZ show rather significant difference. The nature of the VHS just above the Fermi energy undergoes a transition from the π* band to the σ* band for silicene under increasing AC or ZZ strain. These observations suggest uniaxial strain as an effective route to tune the electronic properties of silicene for potential applications in future electronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interface magnetization transition via minority spin injection

The interface magnetization of n-type BaTiO 3 /La 0.7 Sr 0.3 MnO 3 heterojunction is selectively probed by magnetic second-harmonic generation at 80 K. Additionally, the injection of minority spins at the interface causes a sudden, reversible transition of the spin alignment of interfacial Mn ions from ferromagnetic to antiferromagnetic exchange coupled, while the bulk magnetization remains unchanged. We attribute the emergent interfacial antiferromagnetic interactions to weakening of the double-exchange mechanism caused by the strong Hund’s rule coupling between injected minority spins and local magnetic moments. Lastly, the effect is robust and may serve as a viable route for electronic and spintronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Correlated Noise Estimation with Quantum Sensor Networks

We address the metrological problem of estimating collective stochastic properties imprinted on a network of quantum sensors. Canonical examples include center-of-mass quadrature fluctuations in a system of bosonic modes and correlated dephasing in an ensemble of qubits (e.g., spins), bosons, or fermions. We develop a theoretical framework to determine the limits of correlated (weak) noise estimation with quantum sensor networks and reveal the requirements for entanglement advantage. Notably, an advantage emerges from the synergistic interplay between quantum correlations of the sensors and “classical” correlations of the noises. Here, we determine optimal entangled probe states and identify a sensing protocol—reminiscent of a many-body echo—that achieves the fundamental limits of measurement sensitivity for a broad class of problems, unveiling a route toward entanglement-enhanced metrology of correlated many-body phenomena.

Quantum metrology↗
DOE OSTI2017

Role of IMF B y in the prompt electric field disturbances over equatorial ionosphere during a space weather event

On 7 January 2005 (Ap=40) prompt penetration electric field perturbations of opposite polarities were observed over Thumba and Jicamarca on a few occasions during 13:45–16:30 UT. However, the electric field was found to be eastward during 14:45–15:30 UT over both Thumba and Jicamarca contrary to the general expectation wherein opposite polarities are expected at nearly antipodal points. On closer scrutiny, three important observational features are noticed during 14:10–15:15 UT. First, during 14:10–14:45 UT, despite increasing southward interplanetary magnetic field (IMF) B z condition, the already westward electric field over Thumba weakened (less westward) while the eastward electric field over Jicamarca intensified (more eastward). Second, the electric field not only became anomalously eastward over Thumba but also got intensified further during 14:45–15:00 UT similar to Jicamarca. Third, during 15:00–15:15 UT, despite IMF B z remaining steadily southward, the eastward electric field continued to intensify over Thumba but weakened over Jicamarca. It is suggested that the changes in IMF B y component under southward IMF B z condition are responsible for skewing the ionospheric equipotential patterns over the dip equator in such a way that Thumba came into the same DP2 cell as that of Jicamarca leading to anomalous electric field variations. Magnetic field measurements along the Indian and Jicamarca longitude sectors and changes in high-latitude ionospheric convection patterns provide credence to this proposition. Therefore, in conclusion, the present investigation shows that the variations in IMF B y are fundamentally important to understand the prompt penetration effects over low latitudes.

58 GEOSCIENCES↗
DOE OSTI2022

Integration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure

Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a natural route to optimise these processes and bring theory and experiments together. Here, we propose a scheme that integrates machine learning with high-performance simulations and scattering measurements, covering the pipeline of typical neutron experiments. Our approach uses nonlinear autoencoders trained on realistic simulations along with a fast surrogate for the calculation of scattering in the form of a generative model. We demonstrate this approach in a highly frustrated magnet, Dy 2 Ti 2 O 7 , using machine learning predictions to guide the neutron scattering experiment under hydrostatic pressure, extract material parameters and construct a phase diagram. Our scheme provides a comprehensive set of capabilities that allows direct integration of theory along with automated data processing and provides on a rapid timescale direct insight into a challenging condensed matter system.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Conductance with stochastic resonance in Mn{sub 12} redox network without tuning

Artificial neuron-based information processing is one of the attractive approaches of molecular-scale electronics, which can exploit the ability of molecular system for self-assembling or self-organization. The self-organized Mn{sub 12}/DNA redox network shows nonlinear current-voltage characteristics that can be described by the Coulomb blockade network model. As a demonstration of the nonlinear network system, we have observed stochastic resonance without tuning for weak periodic input signals and thermal noise, which suggests a route to neural network composed of molecular materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Acoustic planar hyperlens based on anisotropic density-near-zero metamaterials

Based on anisotropic density-near-zero metamaterials, we demonstrate a planar hyperlens with resolution beyond the diffraction limit in both one and two lateral dimensions. In contrast to the cylindrical hyperlens with elliptical dispersions of finite anisotropy, the proposed planar hyperlens is designed with flat near-zero dispersion that supports wave tunneling with extremely high phase velocity for infinite large transverse wave vectors. Therefore, the acoustic evanescent waves immediately concentrate into the designed oblique path till the output surface, leading to a subwavelength resolution. Prototype hyperlens is constructed with a membrane-network by means of equivalent lumped-circuit model, and the subwavelength magnifying performance for a pair of one-dimensional line objects as well as the complex two-dimensional structure is demonstrated. This method provides diverse routes to construct hyperlens operating without the limitation on imaging region in practical applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Morphological evolution of seeded self-limiting quantum dots on patterned substrates

We present experimental data and a comprehensive theoretical model for the self-limiting growth during metalorganic vaporphase epitaxy of Al{sub x}Ga{sub 1−x}As within tetrahedral recesses etched in GaAs(111)B substrates. A self-limiting profile develops during growth, accompanied by Ga segregation, and leads to the formation of quantum dots and vertical quantum wires along the base and central axis of the recesses, respectively. A theoretical model based on reaction-diffusion equations for the precursor kinetics, adatom diffusion and incorporation, on each crystallographic facet composing the template, is formulated: our theory explains, and reproduces with good agreement, all the experimental trends of the self-limiting profile and alloy segregation dependence on material composition and growth temperature. These results represent a promising route toward a reproducible on-demand design of seeded lowdimensional nanostructures grown on any patterned surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

The Dissociative Recombination of OH(+)

Theoretical quantum chemical calculations of the cross sections and rates for the dissociative recombination of the upsilon = 0 level of the ground state of OH(+) show that recombination occurs primarily along the 2 (2)Pi diabatic route. The products are 0((1)D) and a hot H atom with 6.1 eV kinetic energy. The coupling to the resonances is very small and the indirect recombination mechanism plays only a minor role. The recommended value for the rate coefficient is (6.3 +/- 0.7) x 10(exp -9)x (T(e)/1300)(exp -0.48) cu.cm/s for 10 less than T(e) less than 1000 K.

Guberman, Steven L.↗
NASA NTRS1997

Novel Highly Parallel and Systolic Architectures Using Quantum Dot-Based Hardware

VLSI technology has made possible the integration of massive number of components (processors, memory, etc.) into a single chip. In VLSI design, memory and processing power are relatively cheap and the main emphasis of the design is on reducing the overall interconnection complexity since data routing costs dominate the power, time, and area required to implement a computation. Communication is costly because wires occupy the most space on a circuit and it can also degrade clock time. In fact, much of the complexity (and hence the cost) of VLSI design results from minimization of data routing. The main difficulty in VLSI routing is due to the fact that crossing of the lines carrying data, instruction, control, etc. is not possible in a plane. Thus, in order to meet this constraint, the VLSI design aims at keeping the architecture highly regular with local and short interconnection. As a result, while the high level of integration has opened the way for massively parallel computation, practical and full exploitation of such a capability in many applications of interest has been hindered by the constraints on interconnection pattern. More precisely. the use of only localized communication significantly simplifies the design of interconnection architecture but at the expense of somewhat restricted class of applications. For example, there are currently commercially available products integrating; hundreds of simple processor elements within a single chip. However, the lack of adequate interconnection pattern among these processing elements make them inefficient for exploiting a large degree of parallelism in many applications.

Fijany, Amir↗
DOE OSTI2025

Unraveling the Mechanism of Interfacial Charge Transfer and Photoresponsivity of WS 2 Quantum Dots/MoS 2 (0D–2D) Heterostructure-Based Transistors

To assess the efficacy of a mixed-dimensional van der Waals (vdW) heterostructure in modulating the optoelectronic responses of nanodevices, the charge transport properties of the transition-metal dichalcogenide (TMD)-based heterostructure comprising zero-dimensional (0D) WS 2 quantum dots (QDs) and two-dimensional (2D) MoS 2 flakes are critically analyzed. Herein, a facile strategy was materialized in developing an atomically thin phototransistor assembled from mechanically exfoliated MoS 2 and WS 2 QDs synthesized using a one-pot hydrothermal route. The amalgamated photodetectors exhibited a high responsivity of ∼8000 A/W at an incident power of 0.05 nW of white light, surpassing that of the pristine MoS 2 devices. Furthermore, the detectivity of pristine MoS 2 , which was on the order of 10 10 , increased to 10 12 Jones for the WS 2 QDs/MoS 2 heterostructure photodetector, outperforming other WS 2 -based materials. The quasiparticle band gap and density of states (DOS) are further analyzed to elucidate the photophysics of the WS 2 QD/MoS 2 hybrid assembly. The difference in the work function between MoS 2 and WS 2 QDs gives rise to an electric field across the 0D–2D interface, facilitating effective charge separation and migration and contributing to the enhancement of photoresponsivity. The analysis of optical responses using density functional theory (DFT) revealed stronger absorption and less reflection over a broader spectrum of wavelengths for the heterostructure compared to the pristine materials. The estimated optical conductivity aligns well with the experimentally predicted maximum photoresponsivity under visible light, which is attributed to the high absorbance of 2D MoS 2 . In conclusion, combining diverse spectroscopic and imaging techniques with quantum simulation provides insights that clarify the pertinence of 0D–2D TMDs in designing phototransistors.

WS2 QDs/MoS2 heterostructure↗
DOE OSTI2019

Near-circularly polarized isolated attosecond pulse generation from coherent superposition state by a circularly polarized laser field

We theoretically investigate high-order harmonic generation (HHG) from a coherent superposition state of hydrogen atom in a circularly polarized (CP) laser field. The results show that, driven by the CP field, HHG from the coherent superposition state is enhanced by 4 to 5 orders of magnitude compared to that from the ground state. The enhanced intensity is comparable to that of the ground state in a linearly polarized laser field. Based on the classical and quantum analyses, we demonstrate that HHG in the CP laser field mainly arises from the recombination of electrons ionized at non-zero initial positions. The enhancement of HHG from the coherent superposition state is due to the higher ionization rate and also the larger probability density of electrons located far from the nucleus of the involved excited state. The obtained harmonic spectra support the generation of intense isolated attosecond pulses (IAPs) with the ellipticity as high as 0.93. Moreover, we show that the generation of IAPs with large ellipticity is robust against the variation of the carrier envelope phase (CEP) of the laser field. Our results provide a new route toward generating near-CP IAPs, which will be beneficial for ultrafast detection of chiral-sensitive light-matter interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Quantum enhanced magneto-optical microscopy and spectroscopy

A system comprising a nonlinear medium (NLM), an optical transduction module, a dual homodyne detector and a processor is provided. The NLM receives at least a pump beam and issues the pump, probe and conjugate beams, where the beams are linearly polarized. Optics route the probe, the conjugate or both beams to the sample. The sample imparts polarization rotation to light that interacts therewith. The optical transduction module imparts to the interacted light an optical phase shift that is a 1:1 transduction of the polarization rotation, where at least one of the probe light or the conjugate light carries the imparted optical phase shift. The processor obtains the optical-phase shift based on respective detection signals from the dual homodyne detector and determines, based on the obtained optical-phase shift, at least one of a Faraday polarization rotation, a Kerr polarization rotation or a spin noise spectrum.

Lawrie, Benjamin J.↗
DOE OSTI2015

The influence of non-idealities on the thermoelectric power factor of nanostructured superlattices

Cross-plane superlattices composed of nanoscale layers of alternating potential wells and barriers have attracted great attention for their potential to provide thermoelectric power factor improvements and higher ZT figure of merit. Previous theoretical works have shown that the presence of optimized potential barriers could provide improvements to the Seebeck coefficient through carrier energy filtering, which improves the power factor by up to 40%. However, experimental corroboration of this prediction has been extremely scant. In this work, we employ quantum mechanical electronic transport simulations to outline the detrimental effects of random variation, imperfections, and non-optimal barrier shapes in a superlattice geometry on these predicted power factor improvements. Thus, we aim to assess either the robustness or the fragility of these theoretical gains in the face of the types of variation one would find in real material systems. We show that these power factor improvements are relatively robust against: overly thick barriers, diffusion of barriers into the body of the wells, and random fluctuations in barrier spacing and width. However, notably, we discover that extremely thin barriers and random fluctuation in barrier heights by as little as 10% is sufficient to entirely destroy any power factor benefits of the optimized geometry. Our results could provide performance optimization routes for nanostructured thermoelectrics and elucidate the reasons why significant power factor improvements are not commonly realized in superlattices, despite theoretical predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Preparation of Halogenated Fluorescent Diaminophenazine Building Blocks

A short, convenient, and scalable protocol for the one-pot synthesis of a series of fluorescent 7,8-dihalo-2,3-diaminophenazines is introduced. The synthetic route is based on the oxidative condensation of 4,5-dihalo-1,2-diaminobenzenes in aqueous conditions. The resulting diaminophenazines could be attractive intermediates for the preparation of polyfunctional phenazines and extended polyheteroacenes. We find that the undesired hydroxylation byproducts, typically obtained in aqueous conditions, are completely suppressed by addition of a stoichiometric amount of acetone during the oxidation step allowing for selective formation of 7,8-dihalo-2,2-dimethyl-2,3-dihydro-1 H -imidazo[4,5- b ]phenazine derivatives with good to excellent yields. Under reductive conditions, the imidazolidine ring can be hydrolyzed into the desired 7,8-dihalo-2,3-diaminophenazines. Furthermore, we report a selective route under highly reducing conditions to monohydrodeaminate the 2,3-di(methylamino) phenazine derivatives, which allows for further structural variations of these phenazine building blocks. Finally, all of these derivatives are luminescent, with measured fluorescence quantum-yields of up to 80% in ethanol for the more rigid structures, highlighting the potential of such materials to provide new fluorophores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Effective bichromatic potential for ultra-high Q-factor photonic crystal slab cavities

We introduce a confinement mechanism in photonic crystal slab cavities, which relies on the superposition of two incommensurate one-dimensional lattices in a line-defect waveguide. It is shown that the resulting photonic profile realizes an effective quasi-periodic bichromatic potential for the electromagnetic field confinement yielding extremely high quality (Q) factor nanocavities, while simultaneously keeping the mode volume close to the diffraction limit. We apply these concepts to pillar- and hole-based photonic crystal slab cavities, respectively, and a Q-factor improvement by over an order of magnitude is shown over existing designs, especially in pillar-based structures. Thanks to the generality and easy adaptation of such confinement mechanism to a broad class of cavity designs and photonic lattices, this work opens interesting routes for applications where enhanced light–matter interaction in photonic crystal structures is required.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Field electron emission from pencil-drawn cold cathodes

Field electron emitters with flat, curved, and linear profiles are fabricated on flexible copy papers by direct pencil-drawing method. This one-step method is free of many restricted conditions such as high-temperature, high vacuum, organic solvents, and multistep. The cold cathodes display good field emission performance and achieve high emission current density of 78 mA/cm{sup 2} at an electric field of 3.73 V/μm. The approach proposed here would bring a rapid, low-cost, and eco-friendly route to fabricate but not limited to flexible field emitter devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗