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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The equilibrium of neural firing: A mathematical theory

Inspired by statistical thermodynamics, we presume that neuron system has equilibrium condition with respect to neural firing. We show that, even with dynamically changeable neural connections, it is inevitable for neural firing to evolve to equilibrium. To study the dynamics between neural firing and neural connections, we propose an extended communication system where noisy channel has the tendency towards fixed point, implying that neural connections are always attracted into fixed points such that equilibrium can be reached. The extended communication system and its mathematics could be useful back in thermodynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Materials and fabrication sequences for water soluble silicon integrated circuits at the 90 nm node

Tungsten interconnects in silicon integrated circuits built at the 90 nm node with releasable configurations on silicon on insulator wafers serve as the basis for advanced forms of water-soluble electronics. These physically transient systems have potential uses in applications that range from temporary biomedical implants to zero-waste environmental sensors. Systematic experimental studies and modeling efforts reveal essential aspects of electrical performance in field effect transistors and complementary ring oscillators with as many as 499 stages. Accelerated tests reveal timescales for dissolution of the various constituent materials, including tungsten, silicon, and silicon dioxide. The results demonstrate that silicon complementary metal-oxide-semiconductor circuits formed with tungsten interconnects in foundry-compatible fabrication processes can serve as a path to high performance, mass-produced transient electronic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Observation of fluctuation-driven particle flux reduction by low-frequency zonal flow in a linear magnetized plasma

Low-frequency zonal flow (ZF) has been observed in a linear magnetic plasma device, exhibiting significant intermittency. Using the conditional analysis method, a time-averaged fluctuation-induced particle flux was observed to consistently decrease as ZF increased in amplitude. A dominant fraction of the flux, which is driven by drift-wave harmonics, is reversely modulated by ZF in the time domain. Spectra of the flux, together with each of the related turbulence properties, are estimated subject to two conditions, i.e., when potential fluctuation series represents a strong ZF intermittency or a very weak ZF component. Comparison of frequency-domain results demonstrates that ZF reduces the cross-field particle transport primarily by suppressing the density fluctuation as well as decorrelating density and potential fluctuations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Effect of surface free energies on the heterogeneous nucleation of water droplet: A molecular dynamics simulation approach

Heterogeneous nucleation of water droplet on surfaces with different solid-liquid interaction intensities is investigated by molecular dynamics simulation. The interaction potentials between surface atoms and vapor molecules are adjusted to obtain various surface free energies, and the nucleation process and wetting state of nuclei on surfaces are investigated. The results indicate that near-constant contact angles are already established for nano-scale nuclei on various surfaces, with the contact angle decreasing with solid-liquid interaction intensities linearly. Meanwhile, noticeable fluctuation of vapor-liquid interfaces can be observed for the nuclei that deposited on surfaces, which is caused by the asymmetric forces from vapor molecules. The formation and growth rate of nuclei are increasing with the solid-liquid interaction intensities. For low energy surface, the attraction of surface atoms to water molecules is comparably weak, and the pre-existing clusters can depart from the surface and enter into the bulk vapor phase. The distribution of clusters within the bulk vapor phase becomes competitive as compared with that absorbed on surface. For moderate energy surfaces, heterogeneous nucleation predominates and the formation of clusters within bulk vapor phase is suppressed. The effect of high energy particles that embedded in low energy surface is also discussed under the same simulation system. The nucleation preferably initiates on the high energy particles, and the clusters that formed on the heterogeneous particles are trapped around their original positions instead of migrating around as that observed on smooth surfaces. This feature makes it possible for the heterogeneous particles to act as fixed nucleation sites, and simulation results also suggest that the number of nuclei increases monotonously with the number of high energy particles. The growth of nuclei on high energy particles can be divided into three sub-stages, beginning with the formation of a wet-spot, increase of contact angle with near-constant contact line, and finally growth with constant contact angle. The growth rate of nuclei also increases with the size of high energy particles.

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

Enhanced carrier collection efficiency and reduced quantum state absorption by electron doping in self-assembled quantum dot solar cells

Reduced quantum dot (QD) absorption due to state filling effects and enhanced electron transport in doped QDs are demonstrated to play a key role in solar energy conversion. Reduced QD state absorption with increased n-doping is observed in the self-assembled In{sub 0.5}Ga{sub 0.5}As/GaAs QDs from high resolution below-bandgap external quantum efficiency (EQE) measurement, which is a direct consequence of the Pauli exclusion principle. We also show that besides partial filling of the quantum states, electron-doping produces negatively charged QDs that exert a repulsive Coulomb force on the mobile electrons, thus altering the electron trajectory and reducing the probability of electron capture, leading to an improved collection efficiency of photo-generated carriers, as indicated by an absolute above-bandgap EQE measurement. The resulting redistribution of the mobile electron in the planar direction is further validated by the observed photoluminescence intensity dependence on doping.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Full-dimensional multilayer multiconfigurational time-dependent Hartree study of electron transfer dynamics in the anthracene/C60 complex

Electron transfer at the donor-acceptor heterojunctions plays a critical role in the photoinduced process during the solar energy conversion in organic photovoltaic materials. We theoretically investigate the electron transfer process in the anthracene/C60 donor-acceptor complex by using quantum dynamics calculations. The electron-transfer model Hamiltonian with full dimensionality was built by quantum-chemical calculations. The quantum dynamics calculations were performed using the multiconfigurational time-dependent Hartree (MCTDH) theory and multilayer (ML) MCTDH methods. The latter approach (ML-MCTDH) allows us to conduct the comprehensive study on the quantum evolution of the full-dimensional electron-transfer model including 4 electronic states and 246 vibrational degrees of freedom. Our quantum dynamics calculations exhibit the ultrafast anthracene → C60 charge transfer process because of the strong coupling between excitonic and charge transfer states. This work demonstrates that the ML-MCTDH is a very powerful method to treat the quantum evolution of complex systems.

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

Experimental multiplexing of quantum key distribution with classical optical communication

We demonstrate the realization of quantum key distribution (QKD) when combined with classical optical communication, and synchronous signals within a single optical fiber. In the experiment, the classical communication sources use Fabry-Pérot (FP) lasers, which are implemented extensively in optical access networks. To perform QKD, multistage band-stop filtering techniques are developed, and a wavelength-division multiplexing scheme is designed for the multi-longitudinal-mode FP lasers. We have managed to maintain sufficient isolation among the quantum channel, the synchronous channel and the classical channels to guarantee good QKD performance. Finally, the quantum bit error rate remains below a level of 2% across the entire practical application range. The proposed multiplexing scheme can ensure low classical light loss, and enables QKD over fiber lengths of up to 45 km simultaneously when the fibers are populated with bidirectional FP laser communications. Our demonstration paves the way for application of QKD to current optical access networks, where FP lasers are widely used by the end users.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Recovery in dc and rf performance of off-state step-stressed AlGaN/GaN high electron mobility transistors with thermal annealing

The recovery effects of thermal annealing on dc and rf performance of off-state step-stressed AlGaN/GaN high electron mobility transistors were investigated. After stress, reverse gate leakage current and sub-threshold swing increased and drain current on-off ratio decreased. However, these degradations were completely recovered after thermal annealing at 450 °C for 10 mins for devices stressed either once or twice. The trap densities, which were estimated by temperature-dependent drain-current sub-threshold swing measurements, increased after off-state step-stress and were reduced after subsequent thermal annealing. In addition, the small signal rf characteristics of stressed devices were completely recovered after thermal annealing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Stress-induced anomalous shift of optical band gap in Ga-doped ZnO thin films: Experimental and first-principles study

In this work, highly c-axis oriented Ga-doped ZnO thin films have been deposited on glass substrates by RF magnetron sputtering under different sputtering times. The optical band gap is observed to shift linearly with the electron concentration and in-plane stress. The failure of fitting the shift of band gap as a function of electron concentration using the available theoretical models suggests the in-plane stress, instead of the electron concentration, be regarded as the dominant cause to this anomalous redshift of the optical band gap. And the mechanism of stress-dependent optical band gap is supported by the first-principles calculation based on density functional theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Angular distribution of ions and extreme ultraviolet emission in laser-produced tin droplet plasma

Angular-resolved ion time-of-flight spectra as well as extreme ultraviolet radiation in laser-produced tin droplet plasma are investigated experimentally and theoretically. Tin droplets with a diameter of 150 μm are irradiated by a pulsed Nd:YAG laser. The ion time-of-flight spectra measured from the plasma formed by laser irradiation of the tin droplets are interpreted in terms of a theoretical elliptical Druyvesteyn distribution to deduce ion density distributions including kinetic temperatures of the plasma. The opacity of the plasma for extreme ultraviolet radiation is calculated based on the deduced ion densities and temperatures, and the angular distribution of extreme ultraviolet radiation is expressed as a function of the opacity using the Beer–Lambert law. Our results show that the calculated angular distribution of extreme ultraviolet radiation is in satisfactory agreement with the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Relativistic coupled-cluster calculations on XeF{sub 6}: Delicate interplay between electron-correlation and basis-set effects

A systematic relativistic coupled-cluster study is reported on the harmonic vibrational frequencies of the O{sub h}, C{sub 3v}, and C{sub 2v} conformers of XeF{sub 6}, with scalar-relativistic effects efficiently treated using the spin-free exact two-component theory in its one-electron variant (SFX2C-1e). Atomic natural orbital type basis sets recontracted for the SFX2C-1e scheme have been shown to provide rapid basis-set convergence for the vibrational frequencies. SFX2C-1e as well as complementary pseudopotential based computations consistently predicts that both O{sub h} and C{sub 3v} structures are local minima on the potential energy surface, while the C{sub 2v} structure is a transition state. Qualitative disagreement between the present results for the O{sub h} structure and those from CCSD(T)-F12b calculations [Peterson et al., J. Phys. Chem. A 116, 9777 (2012)], which yielded a triply degenerate imaginary frequency for the O{sub h} structure, is attributed here to the high sensitivity of the computed harmonic frequencies of the t{sub 1u} bending modes to the basis-set effects of triples contributions.

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

Equivalent circuit analysis of radiative coupling in monolithic tandem solar cells

As solar cell efficiency improves towards the Shockley-Queisser limit, so does the radiative efficiency of the cell. For tandem stacks of cells where energy conversion efficiency now exceeds 46%, radiative coupling between the cells is becoming increasingly important to consider in cell design, measurement, and performance prediction. We show how an equivalent circuit model can capture the complex radiative interactions between cells in such tandem stacks, allowing more insight into the impact on cell performance. The circuit's use is demonstrated by deriving results relevant to the critical step of eliminating coupling effects from measured cell spectral responses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Reduced graphene oxide and Ag wrapped TiO{sub 2} photocatalyst for enhanced visible light photocatalysis

A well-organised reduced graphene oxide (RGO) and silver (Ag) wrapped TiO{sub 2} nano-hybrid was successfully achieved through a facile and easy route. The inherent characteristics of the synthesized RGO-Ag/TiO{sub 2} were revealed through crystalline phase, morphology, chemical composition, Raman scattering, UV-visible absorption, and photoluminescence analyses. The adopted synthesis route significantly controlled the uniform formation of silver nanoparticles and contributed for the absorption of light in the visible spectrum through localized surface plasmon resonance effects. The wrapped RGO nanosheets triggered the electron mobility and promoted visible light shift towards red spectrum. The accomplishment of synergised effect of RGO and Ag well degraded Bisphenol A under visible light irradiation with a removal efficiency of 61.9%.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods

Quantum-chemical computations of nuclear quadrupole-coupling parameters for 24 open-shell states of small molecules based on non-relativistic and spin-free exact two-component (SFX2C) relativistic equation-of-motion coupled-cluster (EOM-CC) as well as spin-orbital-based restricted open-shell Hartree-Fock coupled-cluster (ROHF-CC) methods are reported. Relativistic effects, the performance of the EOM-CC and ROHF-CC methods for treating electron correlation, as well as basis-set convergence have been carefully analyzed. Consideration of relativistic effects is necessary for accurate calculations on systems containing third-row (K-Kr) and heavier elements, as expected, and the SFX2C approach is shown to be a useful cost-effective option here. Further, it is demonstrated that the EOM-CC methods constitute flexible and accurate alternatives to the ROHF-CC methods in the calculations of nuclear quadrupole-coupling parameters for open-shell states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Brillouin function characteristics for La-Co substituted barium hexaferrites

La-Co substituted barium hexaferrites with the chemical formula of Ba{sub 1−x}La{sub x}Fe{sub 12−x}Co{sub x}O{sub 19} (x = 0.0, 0.1, 0.3, and 0.5), prepared by a conventional ceramic method, were systematically investigated by Raman spectra, X-ray photoelectron spectroscopy, Rietveld refinement of X-ray diffraction patterns, and vibrating sample magnetometer. The result manifests that all the compounds are crystallized in magnetoplumbite hexagonal structure. Trivalent cobalt ions prevailingly occupy the 2a, 4f{sub 1}, and 12k sites. According to Néel model of collinear-spin ferrimagnetism, the molecular-field coefficients ω{sub bf2}, ω{sub kf1}, ω{sub af1}, ω{sub kf2}, and ω{sub bk} of La-Co substituted barium hexaferrites have been calculated using the nonlinear fitting method, and the magnetic moment of five sublattices (2a, 2b, 4f{sub 1}, 4f{sub 2}, and 12k) versus temperature T has been also investigated. The fitting results are coincided well with the experimental data. Moreover, with the increase of La-Co substitution amount x, the molecular-field coefficients ω{sub bf2} and ω{sub af1} decrease constantly, while the molecular-field coefficients ω{sub kf1}, ω{sub kf2}, and ω{sub bk} show a slight change.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Energy harvesting by dynamic unstability and internal resonance for piezoelectric beam

We investigated the energy harvesting of a vertical beam with tip mass under vertical excitations. We applied dynamic unstability and internal resonance to improve the efficiency of harvesting. The experiments of harmonic excitation were carried out. Results show that for the beam there exist internal resonances in the dynamically unstable and the buckling bistable cases. The dynamic unstability is a determinant for strong internal resonance or mode coupling, which can be used to create a large output from piezoelectric patches. Then, the experiments of stochastic excitation were carried out. Results prove that the internal resonance or mode coupling can transfer the excitation energy to the low order modes, mainly the first and the second one. This can bring about a large output voltage. For a stochastic excitation, it is proved that there is an optimal weight of tip mass for realizing internal resonance and producing large outputs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

High-mobility thin film transistors with neodymium-substituted indium oxide active layer

Thin-film transistors (TFTs) with neodymium-substituted indium oxide (InNdO) channel layer were demonstrated. The structural properties of the InNdO films as a function of annealing temperature have been analyzed using X-ray diffraction and transmission electron microscopy. The InNdO thin films showed polycrystalline nature when annealed at 450 °C with a lattice parameter (cubic cell) of 10.255 Å, which is larger than the cubic In{sub 2}O{sub 3} film (10.117 Å). The high-resolution transmission electron microscopy and energy dispersive X-ray spectroscopy showed that no Nd{sub 2}O{sub 3} clusters were found in the InNdO film, implying that Nd was incorporated into the In{sub 2}O{sub 3} lattice. The InNdO TFTs annealed at 450 °C exhibited more excellent electrical properties with a high mobility of 20.4 cm{sup 2} V{sup −1} s{sup −1} and better electric bias stability compared to those annealed at 300 °C, which was attributed to the reduction of the scattering centers and/or charge traps due to the decrease of the |Nd3d{sub 5/2}{sup 5}4f{sup 4}O2p{sup −1}〉 electron configuration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Design of blade-shaped-electrode linear ion traps with reduced anharmonic contributions

RF quadrupole linear Paul traps are versatile tools in quantum physics experiments. Linear Paul traps with blade-shaped electrodes have the advantages of larger solid angles for fluorescence collection. But with these kinds of traps, the existence of higher-order anharmonic terms of the trap potentials can cause large heating rate for the trapped ions. In this paper, we theoretically investigate the dependence of higher-order terms of trap potentials on the geometry of blade-shaped traps, and offer an optimized design. A modified blade electrodes trap is proposed to further reduce higher-order anharmonic terms while still retaining large fluorescence collection angle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗