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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Electron velocity of 6 × 10{sup 7 }cm/s at 300 K in stress engineered InAlN/GaN nano-channel high-electron-mobility transistors

A stress engineered three dimensional (3D) Triple T-gate (TT-gate) on lattice matched In{sub 0.17}Al{sub 0.83}N/GaN nano-channel (NC) Fin-High-Electron-Mobility Transistor (Fin-HEMT) with significantly enhanced device performance was achieved that is promising for high-speed device applications. The Fin-HEMT with 200-nm effective fin-width (W{sub eff}) exhibited a very high I{sub Dmax} of 3940 mA/mm and a highest g{sub m} of 1417 mS/mm. This dramatic increase of I{sub D} and g{sub m} in the 3D TT-gate In{sub 0.17}Al{sub 0.83}N/GaN NC Fin-HEMT translated to an extracted highest electron velocity (v{sub e}) of 6.0 × 10{sup 7 }cm/s, which is ∼1.89× higher than that of the conventional In{sub 0.17}Al{sub 0.83}N/GaN HEMT (3.17 × 10{sup 7 }cm/s). The v{sub e} in the conventional III-nitride transistors are typically limited by highly efficient optical-phonon emission. However, the unusually high v{sub e} at 300 K in the 3D TT-gate In{sub 0.17}Al{sub 0.83}N/GaN NC Fin-HEMT is attributed to the increase of in-plane tensile stress component by SiN passivation in the formed NC which is also verified by micro-photoluminescence (0.47 ± 0.02 GPa) and micro-Raman spectroscopy (0.39 ± 0.12 GPa) measurements. The ability to reach the v{sub e} = 6 × 10{sup 7 }cm/s at 300 K by a stress engineered 3D TT-gate lattice-matched In{sub 0.17}Al{sub 0.83}N/GaN NC Fin-HEMTs shows they are promising for next-generation ultra-scaled high-speed device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Nonplanar positron-acoustic Gardner solitary waves in electron-positron-ion plasmas with superthermal electrons and positrons

Nonplanar (cylindrical and spherical) positron-acoustic (PA) Gardner solitary waves (SWs) in an unmagnetized plasma system consisting of immobile positive ions, mobile cold positrons, and superthermal (kappa distributed) hot positrons and electrons are investigated. The modified Gardner equation is derived by using the reductive perturbation technique. The effects of cylindrical and spherical geometries, superthermal parameter of hot positrons and electrons, relative temperature ratios, and relative number density ratios on the PA Gardner SWs are studied by using the numerical simulations. The implications of our results in various space and laboratory plasma environments are briefly discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

The targeted heating and current drive applications for the ITER electron cyclotron system

We present a 24 MW Electron Cyclotron (EC) system operating at 170 GHz and 3600 s pulse length is to be installed on ITER. The EC plant shall deliver 20 MW of this power to the plasma for Heating and Current Drive (H&CD) applications. The EC system is designed for plasma initiation, central heating, current drive, current profile tailoring, and Magneto-hydrodynamic control (in particular, sawteeth and Neo-classical Tearing Mode) in the flat-top phase of the plasma. A preliminary design review was performed in 2012, which identified a need for extended application of the EC system to the plasma ramp-up, flattop, and ramp down phases of ITER plasma pulse. The various functionalities are prioritized based on those applications, which can be uniquely addressed with the EC system in contrast to other H&CD systems. An initial attempt has been developed at prioritizing the allocated H&CD applications for the three scenarios envisioned: ELMy H-mode (15 MA), Hybrid (~12 MA), and Advanced (~9 MA) scenarios. In conclusion, this leads to the finalization of the design requirements for the EC sub-systems.

42 ENGINEERING↗
DOE OSTI2015

Physical properties and electronic structure of a new barium titanate suboxide Ba{sub 1+δ}Ti{sub 13−δ}O{sub 12} (δ = 0.11)

The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba{sub 1+δ}Ti{sub 13−δ}O{sub 12} (δ = 0.11), are reported. It is a paramagnetic poor metal with hole carriers dominating the transport. Fermi liquid behavior appears at low temperature. The oxidization state of Ti obtained by the XAS is consistent with the metallic Ti{sup 2+} state. Local density approximation band structure calculations reveal the material is near the Van Hove singularity. The pseudogap behavior in the Ti-d band and the strong hybridization between the Ti-d and O-p orbitals reflect the characteristics of the building blocks of the Ti{sub 13} semi-cluster and the TiO{sub 4} quasi-squares, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Probing environment fluctuations by two-dimensional electronic spectroscopy of molecular systems at temperatures below 5 K

Two-dimensional (2D) electronic spectroscopy at cryogenic and room temperatures reveals excitation energy relaxation and transport, as well as vibrational dynamics, in molecular systems. These phenomena are related to the spectral densities of nuclear degrees of freedom, which are directly accessible by means of hole burning and fluorescence line narrowing approaches at low temperatures (few K). The 2D spectroscopy, in principle, should reveal more details about the fluctuating environment than the 1D approaches due to peak extension into extra dimension. By studying the spectral line shapes of a dimeric aggregate at low temperature, we demonstrate that 2D spectra have the potential to reveal the fluctuation spectral densities for different electronic states, the interstate correlation of static disorder and, finally, the time scales of spectral diffusion with high resolution.

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

Electron transport in unipolar InGaN/GaN multiple quantum well structures grown by NH{sub 3} molecular beam epitaxy

Unipolar-light emitting diode like structures were grown by NH{sub 3} molecular beam epitaxy on c plane (0001) GaN on sapphire templates. Studies were performed to experimentally examine the effect of random alloy fluctuations on electron transport through quantum well active regions. These unipolar structures served as a test vehicle to test our 2D model of the effect of compositional fluctuations on polarization-induced barriers. Variables that were systematically studied included varying quantum well number from 0 to 5, well thickness of 1.5 nm, 3 nm, and 4.5 nm, and well compositions of In{sub 0.14}Ga{sub 0.86}N and In{sub 0.19}Ga{sub 0.81}N. Diode-like current voltage behavior was clearly observed due to the polarization-induced conduction band barrier in the quantum well region. Increasing quantum well width and number were shown to have a significant impact on increasing the turn-on voltage of each device. Temperature dependent IV measurements clearly revealed the dominant effect of thermionic behavior for temperatures from room temperature and above. Atom probe tomography was used to directly analyze parameters of the alloy fluctuations in the quantum wells including amplitude and length scale of compositional variation. A drift diffusion Schrödinger Poisson method accounting for two dimensional indium fluctuations (both in the growth direction and within the wells) was used to correctly model the turn-on voltages of the devices as compared to traditional 1D simulation models.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Passive and active plasma deceleration for the compact disposal of electron beams

Plasma-based decelerating schemes are investigated as compact alternatives for the disposal of high-energy beams (beam dumps). Analytical solutions for the energy loss of electron beams propagating in passive and active (laser-driven) schemes are derived. These solutions, along with numerical modeling, are used to investigate the evolution of the electron distribution, including energy chirp and total beam energy. In the active beam dump scheme, a laser-driver allows a more homogeneous beam energy extraction and drastically reduces the energy chirp observed in the passive scheme. These concepts could benefit applications requiring overall compactness, such as transportable light sources, or facilities operating at high beam power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

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

Effects of MnO doping on the electronic properties of zinc oxide: 406 GHz electron paramagnetic resonance spectroscopy and Newman superposition model analysis

MnO-doped ZnO ceramics have been synthesized through the conventional ceramic processing route. Mn{sup 2+} ions have been incorporated into the ZnO lattice within the limits of solid solubility. By using X-band-frequency and high-field electron paramagnetic resonance (EPR), we have resolved some of the main electronic transitions for the S = 5/2, I = 5/2 high-spin system and have determined accurately the EPR spin-Hamiltonian parameters. By combining data from crystallographic X-ray diffraction and EPR with the semi-empirical Newman superposition model, we have found the local configurational position of Mn{sup 2+} and have confirmed the symmetry of the lattice. The results presented in this contribution indicate that Mn ions substitute at Zn sites in ZnO. The effect of Mn{sup 2+} ions on the intrinsic defects becomes remarkable, thus the vacancy related intrinsic defect signals cannot be visible in the EPR spectrum. MnO doping affects the band gap energy of ZnO system which was confirmed via UV-Vis spectroscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ingot niobium as candidate electrode material for Jefferson Lab 200 kV inverted electron photogun

This contribution describes the field emission characterization of niobium electrodes using a DC high voltage field emission test apparatus. A total of six electrodes were evaluated: two large-grain, two single-crystal, and two fine-grain that were chemically polished using a buffered-chemical acid solution. Field emission from niobium electrodes could be significantly reduced and sometimes completely eliminated, by introducing krypton gas into the vacuum chamber while the electrode is biased at high voltage. Of all the electrodes tested, a large-grain niobium electrode performed the best, exhibiting no measurable field emission (<10 pA) at 225 kV with 20 mm cathode/anode gap, corresponding to a field strength of 18.7 MV/m. Motivated by these results, an inverted electron photogun operated at Jefferson Lab injector test facility was equipped with a large-grain niobium cathode electrode and it has been successfully conditioned to 225 kV without field emission. This photogun was used to study strained superlattice GaAs and K{sub 2}CsSb photocathodes at high beam currents.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Particle-in-cell simulations of electron beam control using an inductive current divider

Kinetic, time-dependent, electromagnetic, particle-in-cell simulations of the inductive current divider are presented. The inductive current divider is a passive method for controlling the trajectory of an intense, hollow electron beam using a vacuum structure that inductively splits the beam’s return current. The current divider concept was proposed and studied theoretically in a previous publication [Phys. Plasmas 22, 023107 (2015)] A central post carries a portion of the return current (I 1 ) while the outer conductor carries the remainder (I 2 ) with the injected beam current given by I b =I 1 +I 2 . The simulations are in agreement with the theory which predicts that the total force on the beam trajectory is proportional to (I 2 -I 1 ) and the force on the beam envelope is proportional to I b . For a fixed central post, the beam trajectory is controlled by varying the outer conductor radius which changes the inductance in the return-current path. The simulations show that the beam emittance is approximately constant as the beam propagates through the current divider to the target. As a result, independent control over both the current density and the beam angle at the target is possible by choosing the appropriate return-current geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Terahertz radiation-induced sub-cycle field electron emission across a split-gap dipole antenna

We use intense terahertz pulses to excite the resonant mode (0.6 THz) of a micro-fabricated dipole antenna with a vacuum gap. The dipole antenna structure enhances the peak amplitude of the in-gap THz electric field by a factor of ∼170. Above an in-gap E-field threshold amplitude of ∼10 MV/cm{sup −1}, THz-induced field electron emission is observed as indicated by the field-induced electric current across the dipole antenna gap. Field emission occurs within a fraction of the driving THz period. Our analysis of the current (I) and incident electric field (E) is in agreement with a Millikan-Lauritsen analysis where log (I) exhibits a linear dependence on 1/E. Numerical estimates indicate that the electrons are accelerated to a value of approximately one tenth of the speed of light.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electron parallel closures for various ion charge numbers

Electron parallel closures for the ion charge number Z = 1 [J.-Y. Ji and E. D. Held, Phys. Plasmas 21, 122116 (2014)] are extended for 1 ≤ Z ≤ 10. Parameters are then computed for various Z with the same form of the Z = 1 kernels adopted. The parameters are smoothly varying in Z and hence can be used to interpolate parameters and closures for noninteger, effective ion charge numbers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Electronic properties of electron and hole in type-II semiconductor nano-heterostructures

In this project, we record the orbitals of electron and hole in type-II (CdTe/CdSe/CdTe/CdSe) semiconductor nanocrystal using effective mass approximation. In type-II the band edges of both valance and conduction band are higher than that of shell. So the electron and hole get confined in different layers of the hetero-structure. The energy eigen values and eigen functions are calculated by solving Schrodinger equation using finite difference matrix method. Based on this we investigate the effect of shell thickness and well width on energy and probability distribution of ground state (1s) and few excited states (1p,1d,etc). Our results predict that, type-II quantum dots have significant importance in photovoltaic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The DQ and DQΦ electronic structure diabatization methods: Validation for general applications

We recently proposed the dipole-quadrupole (DQ) method for transforming adiabatic electronic states to diabatic states by using matrix elements of the dipole and quadrupole operators, and we applied the method to 3-state diabatizations of LiH and phenol. Here we extend the method to also include the electrostatic potential, and we call the resulting method the DQΦ method, which denotes the dipole–quadrupole–electrostatic-potential diabatization method. The electrostatic potential provides extra flexibility, and the goal of the present work is to test and illustrate the robustness of the methods for producing diabatic potential energy curves that tend to the adiabatic curves away from crossings and avoided crossings and are smooth in regions of crossings and avoided crossings. We illustrate the generality of the methods by an application to LiH with four states and by two-state diabatizations of HCl, (H{sub 2}){sub 2}, O{sub 3}, and the reaction Li + HF → LiF + H. We find that—if enough states are included—the DQ method does not have a significant dependence on the parameter weighting the quadrupole moment, and a geometry-independent value of 10 a{sub 0}{sup −2} is adequate in all cases tested. We also find that the addition of the electrostatic potential improves the diabatic potentials in some cases and provides an additional property useful for increasing the generality of the method for diabatization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Size effects on the structural, electronic, and optical properties of (5,0) finite-length carbon nanotube: An ab-initio electronic structure study

We use density functional computations to study the zero temperature structural, electronic, magnetic, and optical properties of (5,0) finite carbon nanotubes (FCNT), with length in the range of 4–44 Å. It is found that the structural and electronic properties of (5,0) FCNTs, in the ground state, converge at a length of about 30 Å, while the excited state properties exhibit long-range edge effects. We discuss that curvature effects enhance energy gap of FCNTs, in contrast to the known trend in the periodic limit. It is seen that compensation of curvature effects in two special small sizes may give rise to spontaneous magnetization. The obtained cohesive energies provide some insights into the effects of environment on the growth of FCNTs. The second-order difference of the total energies reveals an important magic size of about 15 Å. The optical and dynamical magnetic responses of the FCNTs to polarized electromagnetic pulses are studied by time dependent density functional theory. The results show that the static and dynamic magnetic properties mainly come from the edge carbon atoms. The optical absorption properties are described in terms of local field effects and characterized by Casida linear response method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗