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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Charge trapping of Ge-nanocrystals embedded in TaZrO{sub x} dielectric films

Ge-nanocrystals (NCs) were synthesized in amorphous TaZrO{sub x} by thermal annealing of co-sputtered Ge-TaZrO{sub x} layers. Formation of spherical shaped Ge-NCs with small variation of size, areal density, and depth distribution was confirmed by high-resolution transmission electron microscopy. The charge storage characteristics of the Ge-NCs were investigated by capacitance-voltage and constant-capacity measurements using metal-insulator-semiconductor structures. Samples with Ge-NCs exhibit a maximum memory window of 5 V by sweeping the bias voltage from −7 V to 7 V and back. Below this maximum, the width of the memory window can be controlled by the bias voltage. The fitted slope of the memory window versus bias voltage characteristics is very close to 1 for samples with one layer Ge-NCs. A second layer Ge-NCs does not result in a second flat stair in the memory window characteristics. Constant-capacity measurements indicate charge storage in trapping centers at the interfaces between the Ge-NCs and the surrounding materials (amorphous matrix/tunneling oxide). Charge loss occurs by thermal detrapping and subsequent band-to-band tunneling. Reference samples without Ge-NCs do not show any memory window.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

An investigation of resonances in e{sup +}-H scattering embedded in Debye plasma

We carry out calculations for S-wave and P-wave resonances in e{sup +}-H scattering in weakly coupled Debye plasma in which the interaction between two charged particles is represented by a screened Coulomb potential. We employ the complex-scaling method with Hylleraas-type basis set to take correlation effects into account. In the complex-scaling treatment of the screened Coulomb potential, we first perform a Taylor series expansion for the exponential function that contains the distance r between two particles into a polynomial with various powers r{sup n}. We then make the complex scaling transformation of r→r e{sup iθ} in the expansion. The complex resonant eigenvalues are obtained by searching for stabilized points in the complex energy plane with respect to the changes of rotational angle θ and other parameters in the basis set.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Crystallographic investigation of Au nanoparticles embedded in a SrTiO{sub 3} thin film for plasmonics applications by means of synchrotron radiation

Self-organized monocrystalline Au nanoparticles with potential applications in plasmonics are grown in a SrTiO{sub 3} matrix by a novel two-step deposition process. The crystalline preferred orientation of these Au nanoparticles is investigated by synchrotron hard x-ray diffraction. Nanoparticles preferentially align with the (111) direction along the substrate normal (001), whereas two in-plane orientations are found with [110]{sub SrTiO{sub 3}}∥[110]{sub Au} and [100]{sub SrTiO{sub 3}}∥[110]{sub Au}. Additionally, a smaller diffraction signal from nanoparticles with the (001) direction parallel to the substrate normal (001) is observed; once again, two in-plane orientations are found, with [100]{sub SrTiO{sub 3}}∥[100]{sub Au} and [100]{sub SrTiO{sub 3}}∥[110]{sub Au}. The populations of the two in-plane orientations are found to depend on the thickness of the gold film deposited in the first step of the growth.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Proton transfer in histidine-tryptophan heterodimers embedded in helium droplets

We used cold helium droplets as nano-scale reactors to form and ionize, by electron bombardment and charge transfer, aromatic amino acid heterodimers of histidine with tryptophan, methyl-tryptophan, and indole. The molecular interaction occurring through an N–H ⋅ ⋅ ⋅ N hydrogen bond leads to a proton transfer from the indole group of tryptophan to the imidazole group of histidine in a radical cationic environment.

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

Electronic properties of phosphorus doped silicon nanocrystals embedded in SiO{sub 2}

We study the electronic properties of phosphorus doped Si nanocrystal/SiO2 superlattices and determine the carrier concentration by transient current analysis. This is achieved by encapsulating the multilayers between two electrical insulation layers and controlling the carrier mobility by a defined layer to layer separation. A saturation of the voltage dependent ionized carrier density is observed which indicates complete substitutional dopant ionization and allows to calculate the dopant induced charge carrier density. It is found that the doping efficiency of the superlattice is only 0.12% considering the full ionization regime which explains the unusual small dopant effect on transport characteristics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Spin power and efficiency in an Aharnov-Bohm ring with an embedded magnetic impurity quantum dot

Spin thermoelectric effects in an Aharnov-Bohm ring with a magnetic impurity quantum dot (QD) are theoretically investigated by using the nonequilibrium Green's function method. It is found that due to the exchange coupling between the impurity and the electrons in QD, spin output power, and efficiency can be significant and be further modulated by the gate voltage. The spin thermoelectric effect can be modulated effectively by adjusting the Rashba spin-orbit interaction (RSOI) and the magnetic flux. The spin power and efficiency show zigzag oscillations, and thus spin thermoelectric effect can be switched by adjusting the magnetic flux phase factor and RSOI ones. In addition, the spin efficiency can be significantly enhanced by the coexistence of the RSOI and the magnetic flux, and the maximal value of normalized spin efficiency η{sub max}/η{sub C} = 0.35 is obtained. Our results show that such a QD ring device may be used as a manipulative spin thermoelectric generator.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Tuning Interfacial Thermal Conductance of Graphene Embedded in Soft Materials by Vacancy Defects

Nanocomposites based on graphene dispersed in matrices of soft materials are promising thermal management materials. Their effective thermal conductivity depends on both the thermal conductivity of graphene and the conductance of the thermal transport across graphene-matrix interfaces. Here we report on molecular dynamics simulations of the thermal transport across the interfaces between defected graphene and soft materials in two different modes: in the across mode, heat enters graphene from one side of its basal plane and leaves through the other side; in the non-across mode, heat enters or leaves a graphene simultaneously from both sides of its basal plane. We show that, as the density of vacancy defects in graphene increases from 0 to 8%, the conductance of the interfacial thermal transport in the across mode increases from 160.4 16 to 207.8 11 MW/m2K, while that in the non-across mode increases from 7.2 0.1 to 17.8 0.6 MW/m2K. The molecular mechanisms for these variations of thermal conductance are clarified by using the phonon density of states and structural characteristics of defected graphenes. On the basis of these results and effective medium theory, we show that it is possible to enhance the effective thermal conductivity of thermal nanocomposites by tuning the density of vacancy defects in graphene despite the fact that graphene s thermal conductivity always decreases as vacancy defects are introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Series-nonuniform rational B-spline signal feedback: From chaos to any embedded periodic orbit or target point

The self-controlling feedback control method requires an external periodic oscillator with special design, which is technically challenging. This paper proposes a chaos control method based on time series non-uniform rational B-splines (SNURBS for short) signal feedback. It first builds the chaos phase diagram or chaotic attractor with the sampled chaotic time series and any target orbit can then be explicitly chosen according to the actual demand. Second, we use the discrete timing sequence selected from the specific target orbit to build the corresponding external SNURBS chaos periodic signal, whose difference from the system current output is used as the feedback control signal. Finally, by properly adjusting the feedback weight, we can quickly lead the system to an expected status. We demonstrate both the effectiveness and efficiency of our method by applying it to two classic chaotic systems, i.e., the Van der Pol oscillator and the Lorenz chaotic system. Further, our experimental results show that compared with delayed feedback control, our method takes less time to obtain the target point or periodic orbit (from the starting point) and that its parameters can be fine-tuned more easily.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Note: A non-invasive electronic measurement technique to measure the embedded four resistive elements in a Wheatstone bridge sensor

The work shows a measurement technique to obtain the correct value of the four elements in a resistive Wheatstone bridge without the need to separate the physical connections existing between them. Two electronic solutions are presented, based on a source-and-measure unit and using discrete electronic components. The proposed technique brings the possibility to know the mismatching or the tolerance between the bridge resistive elements and then to pass or reject it in terms of its related common-mode rejection. Experimental results were taken in various Wheatstone resistive bridges (discrete and magnetoresistive integrated bridges) validating the proposed measurement technique specially when the bridge is micro-fabricated and there is no physical way to separate one resistive element from the others.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Study on the I–V characteristics of quantum well/dot embedded GaAs/AlGaAs structures - A transfer matrix method

The tunneling current has been calculated by a derived analytical expression for the transmission coefficient (TC) based on the theory of coherent resonant tunneling within the effective mass approximation by applying a constant field in quantum well/dot dopped RTD. For the bare Al{sub 0.35}Ga{sub 0.65}As double barrier structure, the peak to valley ratio is 0.165 from the I-V characteristics. Notably, the presence of In{sub 0.21}Ga{sub 0.79}As well in the emitter region significantly enhances the peak to valley ratio to 0.970. Interestingly, the presence of both the In{sub 0.21}Ga{sub 0.79}As well and InAs QD, increases the peak to valley ratio further to 0.978, because of the greater probability for the energy levels in these regions to be in resonance. On comparing experimental results, which show the similar trend for the current-voltage characteristics, imply that the quantum structure considered here is suitable for device applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Study of optical and structural properties of CdSe quantum dot embedded in PVA polymer matrix

To enhance the properties and applicability of devices it is essential to incorporate semiconductor nanoparticles into polymer matrix. This introduces a new branch of science which includes device fabrications such as gas sensors, nonlinear optics, catalysis etc. Herein, we have synthesized CdSe/PVA nanocomposite (NC) material using wet chemical synthesis technique. The XRD studies revealed the formation of crystalline structure of CdSe nanoparticles (NP’s) and PVA NC’s with an average size of 100 nm and 5 nm respectively. Energy band gap is determined using UV-VIS Spectroscopy. A red shift in the absorption edge of CdSe/PVA NC is observed with respect to CdSe Np’s, The photoluminescence spectra also show red shift for CdSe/PVA NC as compared to CdSe NP’s Thus the use of CdSe/PVA for solar cell application would be more preferable than CdSe NP’s.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Nonlinear focusing of ultrasonic waves by an axisymmetric diffraction grating embedded in water

We report the nonlinear focusing of ultrasonic waves by an axisymmetric diffraction grating immersed in water. In the linear regime, the system presents high focal gain (32 dB), with a narrow beam-width and intense side lobes as it is common in focusing by Fresnel-like lenses. Activating the nonlinearity of the host medium by using high amplitude incident waves, the focusing properties of the lens dramatically change. Theoretical predictions show that the focal gain of the system extraordinary increases in the strongly nonlinear regime (Mach number of 6.1 × 10{sup −4}). Particularly, the harmonic generation is locally activated at the focal spot, and the second harmonic beam is characterized by strongly reduced side-lobes and an excellent beam profile as experiments show in agreement with theory. The results can motivate applications in medical therapy or second harmonic imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Paramagnetic defects in KH{sub 2}PO{sub 4} crystals with high concentration of embedded TiO{sub 2} nanoparticles

Qualitative transformations of spectra of Electron Paramagnetic Resonance, EPR, were found in KH{sub 2}PO{sub 4} crystals grown from liquor with 10{sup −5}–10{sup −1 }wt. % of anatase TiO{sub 2} nanoparticles in comparison with nominally pure KH{sub 2}PO{sub 4}. The nanoparticles have larger segregation coefficient for prismatic parts of the crystals than for pyramidal ones. Significant decrease in resonance absorption, complete disappearance of EPR lines of Fe{sup 3+} and Cr{sup 3+} centers, and appearance of four weak lines of equal intensities together with broad asymmetric lines with g-factors about 2.07–2.5 was observed in pyramidal parts grown with concentration of TiO{sub 2} nanoparticles larger than the threshold value 10{sup −2 }wt. %. The four lines were attributed to non-controlled impurity As substituted for P. In the presence of TiO{sub 2} nanoparticles, non-paramagnetic AsO{sub 4}{sup 3−} clusters trap electrons becoming AsO{sub 4}{sup 4−}. Disappearance of Fe{sup 3+} and Cr{sup 3+} centers was explained by their recharge to “EPR-silent” states and/or pairing at the surface of TiO{sub 2} nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Communication: A simplified coupled-cluster Lagrangian for polarizable embedding

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Helium-like magnesium embedded in strongly coupled plasma

In recent days, with the advent of the x-ray free electron laser (FEL) with Linac coherent light source (LCLS) and the Orion laser, experimental studies on atomic systems within strongly coupled plasma environment with remarkable improvement in accuracy as compared to earlier experiments have become possible. In these kinds of experiments, hydrogen-like and helium-like spectral lines are used for determination of plasma parameters such as temperature, density. Accurate theoretical calculations are, therefore, necessary for such kind of studies within a dense plasma environment. In this work, ab initio calculations are carried out in the framework of the Rayleigh-Ritz variation principle to estimate the ground state energy of helium-like magnesium within strongly coupled plasma environment. Explicitly correlated wave functions in Hylleraas coordinates have been used to incorporate the effect of electron correlation. The ion-sphere model potential that confines the central positive ion in a finite domain filled with plasma electrons has been adopted to mimic the strongly coupled plasma environment. Thermodynamic pressure ’felt’ by the ion in the ground states due to the confinement inside the ion spheres is also estimated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Visible light absorbance enhanced by nitrogen embedded in the surface layer of Mn-doped sodium niobate crystals, detected by ultra violet - visible spectroscopy, x-ray photoelectron spectroscopy, and electric conductivity tests

Sodium niobate crystals doped with manganese ions, Na(NbMn)O{sub 3}, were annealed in a nitrogen N{sub 2} flow at 600, 670, and 930 K. It was verified that simultaneous doping with Mn ions and annealing in nitrogen enhanced the photocatalytic features of sodium niobate. The transmission in the ultraviolet-visible range was measured at room temperature. The absorbance edge is in the range from 3.4 to 2.3 eV. The optical band gap E{sub gap} = 1.2–1.3 eV was evaluated using the Tauc relation. Crystals annealed at 670 K and 930 K exhibited an additional shift of the absorption edge of ∼20–40 nm toward longer wavelengths. The optical energy gap narrowed as a result of the superimposed effect of Mn and N co-doping. The x-ray photoelectron spectroscopy test showed that N ions incorporated into the surface layer. The valence band consisted of O 2p states hybridized with Nb 4d, Mn 3d, and N 2s states. The disorder detected in the surroundings of Nb and O ions decreased due to annealing. The binding energy of oxygen ions situated within the surface layer was E{sub B} ≈ 531 eV. The other contributions were assigned to molecular contamination. The contribution centered at 535.5 eV vanished after annealing at 600 K and 670 K. The contribution centered at 534 eV vanished after annealing at 930 K. The N{sub 2} annealing partly removed carbonates from the surfaces of the samples. In the 480–950 K range, the electric conductivity activation energy, E{sub a} = 0.7–1.2 eV, was comparable with the optical E{sub gap}. The electric permittivity showed dispersion in the 0.1–800 kHz range that corresponds to the occurrence of defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗