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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Enhanced stability against bias-stress of metal-oxide thin film transistors deposited at elevated temperatures

Transparent zinc-tin-oxide (ZTO) thin film transistors (TFTs) have been prepared by DC magnetron sputtering. Compared to reference devices with a channel deposited at room temperature and subsequently annealing at 400 deg. C, a substantially enhanced stability against bias stress is evidenced for devices with in-situ substrate heating during deposition (400 deg. C). A reduced density of sub-gap defect states in TFT channels prepared with in-situ substrate heating is found. Concomitantly, a reduced sensitivity to the adsorption of ambient gases is evidenced for the in-situ heated devices. This finding is of particular importance for an application as driver electronics for organic light emitting diode displays.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Elevated temperature dependence of energy band gap of ZnO thin films grown by e-beam deposition

We report the surface, structural, electronic, and optical properties of the epitaxial ZnO thin films grown on (0001) sapphire substrate at 600 deg. C by an electron-beam deposition technique. ZnO thin films have been deposited in an oxygen environment and post-deposition annealed to improve the stoichiometry and the crystal quality. In order to investigate the free exciton binding energy and the temperature dependence of the energy bandgap, we carried out variable temperature (78-450 K) transmittance measurements on ZnO thin films. The absorption data below the energy bandgap have been modeled with the Urbach tail and a free exciton, while the data above the gap have been modeled with the charge transfer excitations. The exciton binding energy is measured to be E{sub 0}= 64 {+-} 7 meV, and the energy band gaps of the ZnO film are measured to be E{sub g}-tilde 3.51 and 3.48 eV at 78 and 300 K, respectively. The temperature dependence of the energy gap has been fitted with the Varshni model to extract the fitting parameters {alpha}= 0.00020 {+-} 0.00002 eV/K, {beta}= 325 {+-} 20 K, and E{sub g} (T = 0 K) = 3.516 {+-} 0.0002 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Triaxial strongly deformed bands in {sup 164}Hf and the effect of elevated yrast line

Two exotic rotational bands have been identified in {sup 164}Hf and linked to known states. They are interpreted as being associated with the calculated triaxial strongly deformed (TSD) potential energy minimum. The bands are substantially stronger and are located at much lower spins than the previously discovered TSD bands in {sup 168}Hf. In addition to the proton and neutron shell gaps at large trixiality, it was proposed that the relative excitation energy of TSD bands above the yrast line plays an important role in the population of TSD bands.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

A versatile elevated-pressure reactor combined with an ultrahigh vacuum surface setup for efficient testing of model and powder catalysts under clean gas-phase conditions

A small-volume reaction cell for catalytic or photocatalytic testing of solid materials at pressures up to 1000 Torr has been coupled to a surface-science setup used for standard sample preparation and characterization under ultrahigh vacuum (UHV). The reactor and sample holder designs allow easy sample transfer from/to the UHV chamber, and investigation of both planar and small amounts of powder catalysts under the same conditions. The sample is heated with an infrared laser beam and its temperature is measured with a compact pyrometer. Combined in a regulation loop, this system ensures fast and accurate temperature control as well as clean heating. The reaction products are automatically sampled and analyzed by mass spectrometry and/or gas chromatography (GC). Unlike previous systems, our GC apparatus does not use a recirculation loop and allows working in clean conditions at pressures as low as 1 Torr while detecting partial pressures smaller than 10{sup −4} Torr. The efficiency and versatility of the reactor are demonstrated in the study of two catalytic systems: butadiene hydrogenation on Pd(100) and CO oxidation over an AuRh/TiO{sub 2} powder catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Intrinsic relationship between electronic structures and phase transition of SrBi{sub 2−x}Nd{sub x}Nb{sub 2}O{sub 9} ceramics from ultraviolet ellipsometry at elevated temperatures

The ferroelectric orthorhombic to paraelectric tetragonal phase transition of SrBi{sub 2−x}Nd{sub x}Nb{sub 2}O{sub 9} (x = 0, 0.05, 0.1, and 0.2) layer-structured ceramics has been investigated by temperature-dependent spectroscopic ellipsometry. Based on the analysis of dielectric functions from 0 to 500 °C with double Tauc-Lorentz dispersion model, the interband transitions located at ultraviolet region have shown an abrupt variation near the Curie temperature. The changes of dielectric functions are mainly due to the thermal-optical and/or photoelastic effect. Moreover, the characteristic alteration in interband transitions can be ascribed to distortion of NbO{sub 6} octahedron and variation of hybridization between Bi 6s and O 2p states during the structure transformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Defect generation in amorphous-indium-gallium-zinc-oxide thin-film transistors by positive bias stress at elevated temperature

We report on the generation and characterization of a hump in the transfer characteristics of amorphous indium gallium zinc-oxide thin-film transistors by positive bias temperature stress. The hump depends strongly on the gate bias stress at 100 °C. Due to the hump, the positive shift of the transfer characteristic in deep depletion is always smaller that in accumulation. Since, the latter shift is twice the former, with very good correlation, we conclude that the effect is due to creation of a double acceptor, likely to be a cation vacancy. Our results indicate that these defects are located near the gate insulator/active layer interface, rather than in the bulk. Migration of donor defects from the interface towards the bulk may also occur under PBST at 100 °C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Elevating optical activity: Efficient on-edge lithography of three-dimensional starfish metamaterial

We present an approach for extremely fast, wafer-scale fabrication of chiral starfish metamaterials based on electron beam- and on-edge lithography. A millimeter sized array of both the planar chiral and the true 3D chiral starfish is realized, and their chiroptical performances are compared by circular dichroism measurements. We find optical activity in the visible and near-infrared spectral range, where the 3D starfish clearly outperforms the planar design by almost 2 orders of magnitude, though fabrication efforts are only moderately increased. The presented approach is capable of bridging the gap between high performance optical chiral metamaterials and industrial production by nanoimprint technology.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Influence of O{sub 2} on the dielectric properties of CO{sub 2} at the elevated temperatures

SF{sub 6} gas is widely used in the high voltage circuit breakers but considering its high global warming potential other substitutes are being sought. Among them CO{sub 2} was investigated and even has been used in some practical products. However, at room temperature, the dielectric properties of CO{sub 2} are relatively lower than SF{sub 6} and air. The goal of this work is to investigate a CO{sub 2}-based gas to improve the performance of the pure CO{sub 2}. In this paper, the dielectric properties of hot CO{sub 2}/O{sub 2} mixtures related to the dielectric recovery phase of the circuit breaker were investigated in the temperature range from 300 K to 4000 K and in the pressure range from 0.01 MPa to 1.0 MPa. The species compositions of hot CO{sub 2}/O{sub 2} were obtained based on Gibbs free energy minimization under the assumptions of local thermodynamic equilibrium and local chemical equilibrium. The reduced critical electric field strength of CO{sub 2}/O{sub 2} was determined by balancing electron generation and loss. These were calculated using the electron energy distribution function by solving the Boltzmann transport equation. The validity of the calculation method and the cross sections data was confirmed by comparing the measurements and calculations of the electron swarm data in previous work. The results indicate that in pure CO{sub 2} the critical electric field strength is higher only in higher temperature range. By adding the O{sub 2} into the CO{sub 2}, the critical electric field strength at lower temperature is effectively enhanced. CO{sub 2}/O{sub 2} mixtures have a much better dielectric strength than both the pure CO{sub 2} and air and thus have the potential to improve the CO{sub 2}-based gas circuit breakers. Similar conclusions can also be found in others’ work, which further confirm the validity of these results.

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

Improved photoluminescence characteristics of order-disorder AlGaInP quantum wells at room and elevated temperatures

A set of nominally undoped CuPt-B type ordered (Al{sub x}Ga{sub 1−x}){sub 0.5}In{sub 0.5}P quantum-wells with disordered (Al{sub 0.7}Ga{sub 0.3}){sub 0.5}In{sub 0.5}P barriers were grown and characterized using transmission electron microscopy and photoluminescence spectroscopy. Such structures are potentially beneficial for light emitting devices due to the possibility of greater carrier confinement, reduced scattering into the indirect valleys, and band-offset adjustment beyond what is possible with strain and composition. Furthermore, the possibility of independently tuning the composition and the order-parameter of the quantum-well allows for the decoupling of the carrier confinement and the aluminum content and aids in the identification of carrier loss mechanisms. In this study, sharp order-disorder interfaces were achieved via the control of growth temperature between 650 °C and 750 °C using growth pauses. Improved high-temperature (400 K) photoluminescence intensity was obtained from quantum-wells with ordered Ga{sub 0.5}In{sub 0.5}P as compared to disordered Ga{sub 0.5}In{sub 0.5}P due to greater confinement. Additionally, in the ordered samples with a higher Al/Ga ratio to counter the band-gap reduction, the photoluminescence intensity at high temperature was as bright as that from conventional disordered heterostructures and had slightly improved wavelength stability. Room-temperature time-resolved luminescence measurements indicated a longer radiative lifetime in the ordered quantum-well with reduced scattering into the barrier. These results show that in samples of good material quality, the property controlling the luminescence intensity is the carrier confinement and not the presence of ordering or the aluminum content.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures. The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Bragg polaritons in a ZnSe-based unfolded microcavity at elevated temperatures

In this contribution, we present strong coupling of ZnSe quantum well excitons to Bragg modes resulting in the formation of Bragg polariton eigenstates, characterized by a small effective mass in comparison to a conventional microcavity. We observe an anticrossing of the excitonic and the photonic component in our sample being a clear signature for the strong-coupling regime. The anticrossing is investigated by changing the detuning between the excitonic components and the Bragg mode. We find anticrossings between the first Bragg mode and the heavy- as well as light-hole exciton, respectively, resulting in three polariton branches. The observed Bragg-polariton branches are in good agreement with theoretical calculations. The strong indication for the existence of strong coupling is traceable up to a temperature of 200 K, with a Rabi-splitting energy of 24 meV and 13 meV for the Bragg mode with the heavy- and light-hole exciton, respectively. These findings demonstrate the advantages of this sample configuration for ZnSe-based devices for the strong coupling regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Microstructural behavior of iron and bismuth added Sn-1Ag-Cu solder under elevated temperature aging

An extensive study was done to investigate the microstructural behavior of iron (Fe) and bismuth (Bi) added Sn-1Ag-0.5Cu (SAC105) under severe thermal aging conditions. The isothermal aging was done at 200 °C for 100 h, 200 h, and 300 h. Optical microscopy with cross-polarized light revealed that the grain size significantly reduces with Fe/Bi addition to the base alloy SAC105 and remains literally the same after thermal aging. The micrographs of field emission scanning electron microscopy (FESEM) with backscattered electron detector and their further analysis via imageJ software indicated that Fe/Bi added SAC105 showed a significant reduction in the IMCs size (Ag{sub 3}Sn and Cu{sub 6}Sn{sub 5}), especially the Cu{sub 6}Sn{sub 5} IMCs, as well as β-Sn matrix and a refinement in the microstructure, which is due to the presence of Bi in the alloys. Moreover, their microstructure remains much more stable under severe thermal aging conditions, which is because of the presence of both Fe and Bi in the alloy. The microstructural behavior suggests that Fe/Bi modified SAC105 would have much improved reliability under severe thermal environments. These modified alloys also have relatively low melting temperature and low cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

UV-enhanced CO sensing using Ga 2 O 3 -based nanorod arrays at elevated temperature

Monitoring and control of gaseous combustion process are critically important in advanced energy systems such as power plants, gas turbines, and automotive engines. However, very limited gas sensing solutions are available in the market for such application due to the inherent high temperature of combustion gaseous atmosphere. In this study, we fabricated and demonstrated high-performance metal oxide based nanorod array sensors assisted with ultra-violet (UV) illumination for in situ and real-time high-temperature gas detection. Without UV-illumination, it was found surface decoration of either 5 nm LSFO or 1 nm Pt nanoparticles can enhance the sensitivity over CO at 500 °C by an order of magnitude. Under the 254 nm UV illumination, CO gas-sensing performance of Ga 2 O 3 -based nanorod array sensors was further enhanced with the sensitivity boosted by 125 %, and the response time reduced by 30 % for La 0.8 Sr 0.2 FeO 3 (LSFO)-decorated sample. The UV-enhanced detecting of CO might be due to the increased population of photo-induced electron-hole pairs. While for LSFO-decorated nanorod array sensor under UV illumination, the enhancement is through a combination of sensitizing effect and photocurrent effect.

36 MATERIALS SCIENCE↗
DOE OSTI2018

ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures

The intermolecular structure formation in liquid and supercritical acetic acid-water mixtures was explored using ReaxFF-based molecular dynamics simulations. The microscopic structures of acetic acid-water mixtures with different acetic acid mole fractions (1.0 ≥ x HAc ≥ 0.2) at ambient and critical conditions were examined. The potential energy surface associated with the dissociation of acetic acid molecules was calculated using a metadynamics procedure to optimize the dissociation energy of ReaxFF potential. At ambient conditions, depending on the acetic acid concentration, either acetic acid clusters or water clusters are dominant in the liquid mixture. When acetic acid is dominant (0.4 ≤ x HAc ), cyclic dimers and chain structures between acetic acid molecules are present in the mixture. Both structures disappear at increased water content of the mixture. It was found by simulations that the acetic acid molecules released from these dimer and chain structures tend to stay in a dipole-dipole interaction. These structural changes are in agreement with the experimental findings. When switched to critical conditions, the long-range interactions (e.g., second or fourth neighbor) disappear and the water-water and acetic acid-acetic acid structural formations become disordered. The simulated radial distribution function for water-water interactions is in agreement with experimental and computational studies. The first neighbor interactions between acetic acid and water molecules are preserved at relatively lower temperatures of the critical region. As higher temperatures are reached in the critical region, these interactions were observed to weaken. These simulations suggest that ReaxFF molecular dynamics simulations are an appropriate tool for studying supercritical water/organic acid mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Electrical conductivity, ion pairing, and ion self-diffusion in aqueous NaCl solutions at elevated temperatures and pressures

We have performed classical molecular dynamics (MD) simulations of aqueous sodium chloride (NaCl) solutions from 298 to 674 K at 200 bars to understand the influence of ion pairing and ion self-diffusion on electrical conductivity in high-temperature/high-pressure salt solutions. Conductivity data obtained from the MD simulation highlight an apparent anomaly, namely, a conductivity maximum as temperature increases along an isobar, which has been also observed in experimental studies. By examining both velocity autocorrelation and cross-correlation terms of the Green-Kubo integral, we quantitatively demonstrate that the conductivity anomaly arises mainly from a competition between the single-ion self-diffusion and the contact ion pair formation. The velocity autocorrelation function in conjunction with structural analysis suggests that diffusive motion of ions is suppressed at high temperatures due to the persistence of an inner hydration shell. Here, the contribution of velocity cross-correlation functions between oppositely charged ions becomes significant at the onset of the conductivity decrease. Structural analysis based on Voronoi tessellation and pair correlation functions indicates that the fraction of contact ion pairs increases as temperature increases. Spatial decomposition of the electrical conductivity also indicates that the formation of contact ion pairs significantly decreases the electrical conductivity compared to Nernst-Einstein conductivity, but the contribution of distant opposite charges cannot be ignored except at the highest temperature due to unscreened long-range interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗