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At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electrochemistry-induced deposition for controlled formation of metal–organic framework films on insulator and conductor substrates

A number of technological applications of metal–organic frameworks (MOFs) require the formation of their thin films on insulator and/or conductor substrates at selected areas with desired thicknesses. However, fabrication of such MOF films often requires multi-step processes and/or sophisticated instruments. Herein, we discuss electrochemistry-induced MOF deposition, which permits the direct formation of a thin MOF film with controlled thickness at a desired area on various substrates. So far, we have reported the applicability of this deposition method for the formation of zeolitic imidazolate framework-8 (ZIF-8) films. In this method, a ZIF-8 film is formed on an insulator or a conductor substrate upon applying a cathodic potential to a working electrode that is placed above the substrate. Importantly, the film is formed just below the cathodic working electrode, indicating that the position and lateral dimensions (on the mm- to μm-scale) of the film can be controlled by those of the working electrode. In addition, film thickness is controllable in the range of tens to hundreds of nanometers by adjusting potential application conditions at the cathodic working electrode. These results show that the electrochemistry-induced deposition method will provide a simple means for the fabrication of a patterned MOF film on various substrates without additional lithographic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Measurements of the apparent thermal conductivity of multi-layer insulation between 20 K and 90 K

NASA has the need to efficiently store cryogenic propellants in space for long periods of time. One method to improve storage efficiency is to use multi-layer insulation (MLI), a technique that minimizes the boiling rate due to radiation heat transfer. Typically, the thermal performance of MLI is determined by measuring the rate of evaporation of liquid nitrogen from a calibrated cryostat. The main limitation with this method is that testing conditions are restricted by the boiling temperature of the LN{sub 2}, which may not match the requirements of the application. The Multi-Layer Insulation Thermal Conductivity Experiment (MIKE) at the National High Magnetic Field Laboratory is capable of measuring the effective thermal conductivity of MLI at variable boundary temperatures. MIKE uses cryo-refrigerators to control boundary temperatures in the calorimeter and a calibrated thermal link to measure the heat load. To make the measurements requested by NASA, MIKE needed to be recalibrated for the 20 K to 90 K range. Also, due to the expectation of a lower heat transfer rate, the heat load support rod material was changed to one with a lower thermal conductivity to ensure the temperature difference seen on the cold rod could be measurable at the estimated heat load. Presented are the alterations to MIKE including calibration data and heat load measurements on new load-bearing MLI supplied by NASA.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Non-destructive qualification tests for ITER cryogenic axial insulating breaks

In the ITER superconducting magnets the dielectric separation between the CICC (Cable-In-Conduit Conductors) and the helium supply pipes is made through the so-called insulating breaks (IB). These devices shall provide the required dielectric insulation at a 30 kV level under different types of stresses and constraints: thermal, mechanical, dielectric and ionizing radiations. As part of the R and D program, the ITER Organization launched contracts with industrial companies aimed at the qualification of the manufacturing techniques. After reviewing the main functional aspects, this paper describes and discusses the protocol established for non-destructive qualification tests of the prototypes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Enhancement in the transport critical current density J{sub c} in YBa{sub 2}Cu{sub 3}O{sub 7−δ} added with an insulating nano crystalline YBa{sub 2}HfO{sub 5.5} perovskite

When a magnetic field is applied to type II superconductors, such as YBa{sub 2}Cu{sub 3}0{sub 7−δ} (YBCO), the flux quanta penetrate the material as a regular array of vortices. However when transport currents are applied, they act to move these vortices, thus lowers the critical current density (J{sub c}) as well as destroying superconductivity. The development of microstructures made of YBCO materials has enabled engineers to increase the critical current density, within Type II materials by introducing flux pinning centres into the material. The microstructure and flux pinning properties of YBa{sub 2}Cu{sub 3}O{sub 7−δ} system with varying levels (0-5 wt. %) of a nano perovskite ceramic insulator; YBa{sub 2}HfO{sub 5.5} addition was studied in detail. Orthorhombic YBa{sub 2}Cu{sub 3}O{sub 7−δ} powder was prepared through conventional solid state route and a modified combustion method was used for synthesizing nanocrystalline YBa{sub 2}HfO{sub 5.5}. The structure and microstructure of the samples examined by X-ray diffraction and scanning electron microscopy showed that YBa{sub 2}HfO{sub 5.5} and YBCO remained unreacted even at higher processing temperature without deteriorating the superconducting properties. The scanning electron microscope image shows that YBa{sub 2}HfO{sub 5.5} forms an electrical-network between grains. These observations suggest that the YBa{sub 2}HfO{sub 5.5} addition to the Y-123-compounds improve the electrical connection between superconducting grains and substantial improvements in the relative electrical transport properties of the composites. The variation of sintering temperature, density, critical transition temperature (T{sub c}) and magnetic field dependence of critical current density (J{sub c}) of YBa{sub 2}Cu{sub 3}O{sub 7−δ} having different proportions of YBa{sub 2}HfO{sub 5.5} in the matrix were also studied in detail. It is found that the addition of these elements considerably enhances the flux pinning strength of the system, and there is also an increase of critical temperature (T{sub c}) and critical current density (J{sub c}) up to an optimum value of 8.76 × 10{sup 4} A/cm{sup 2} for a concentration of 2 wt % addition of nano YBa{sub 2}HfO{sub 5.5}. The enhancement of the critical current density in the YBa{sub 2}Cu{sub 3}O{sub 7−δ} - YBa{sub 2}HfO{sub 5.5} samples is attributed to the sustained formation of the insulating and non-reacting YBa{sub 2}HfO{sub 5.5} phase acting as pinning center. The addition of YBa{sub 2}HfO{sub 5.5} in YBa{sub 2}Cu{sub 3}O{sub 7−δ} bulk superconductor also enhances the pinning force density from 3 ×10{sup 6} N/m{sup 3} to 69.6 × 10{sup 6}N/m{sup 3} at 77 K.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Calculation of metallic and insulating phases of V{sub 2}O{sub 3} by hybrid density functionals

The electronic structure of vanadium sesquioxide V{sub 2}O{sub 3} in its different phases has been calculated using the screened exchange hybrid density functional. The hybrid functional accurately reproduces the experimental electronic properties of all three phases, the paramagnetic metal (PM) phase, the anti-ferromagnetic insulating phase, and the Cr-doped paramagnetic insulating (PI) phase. We find that a fully relaxed supercell model of the Cr-doped PI phase based on the corundum structure has a monoclinic-like local strain around the substitutional Cr atoms. This is found to drive the PI-PM transition, consistent with a Peierls-Mott transition. The PI phase has a calculated band gap of 0.15 eV, in good agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Note: Long-range scanning tunneling microscope for the study of nanostructures on insulating substrates

The scanning tunneling microscope (STM) is a powerful tool for studying the electronic properties at the atomic level, however, it is of relatively small scanning range and the fact that it can only operate on conducting samples prevents its application to study heterogeneous samples consisting of conducting and insulating regions. Here we present a long-range scanning tunneling microscope capable of detecting conducting micro and nanostructures on insulating substrates using a technique based on the capacitance between the tip and the sample and performing STM studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators

Based on the random-phase approximation and the transcorrelated (TC) method, we optimize the Jastrow factor together with one-electron orbitals in the Slater determinant in the correlated wave function with a new scheme for periodic systems. The TC method is one of the promising wave function theories for first-principles electronic structure calculation, where the many-body wave function is approximated as a product of a Slater determinant and a Jastrow factor, and the Hamiltonian is similarity-transformed by the Jastrow factor. Using this similarity-transformed Hamiltonian, we can optimize the one-electron orbitals without evaluating 3N-dimensional integrations for the N-electron system. In contrast, optimization of the Jastrow factor within the framework of the TC method is computationally much more expensive and has not been performed for solid-state calculations before. In this study, we also benefit from the similarity-transformation in optimizing the Jastrow factor. Our optimization scheme is tested in applications to some solids from narrow-gap semiconductors to wide-gap insulators, and it is verified that the band gap of a wide-gap insulator and the lattice constants of some solids are improved by this optimization with reasonable computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Evidence of the metal-insulator transition in ultrathin unstrained V{sub 2}O{sub 3} thin films

We report the strain state and transport properties of V{sub 2}O{sub 3} layers and V{sub 2}O{sub 3}/Cr{sub 2}O{sub 3} bilayers deposited by molecular beam epitaxy on (0001)-Al{sub 2}O{sub 3}. By changing the layer on top of which V{sub 2}O{sub 3} is grown, we change the lattice parameters of ultrathin V{sub 2}O{sub 3} films significantly. We find that the metal-insulator transition is strongly attenuated in ultrathin V{sub 2}O{sub 3} layers grown coherently on Al{sub 2}O{sub 3}. This is in contrast with ultrathin V{sub 2}O{sub 3} layers grown on Cr{sub 2}O{sub 3} buffer layers, where the metal-insulator transition is preserved. Our results provide evidence that the existence of the transition in ultrathin films is closely linked with the lattice deformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Superconducting tantalum nitride-based normal metal-insulator-superconductor tunnel junctions

We report the development of superconducting tantalum nitride (TaN{sub x}) normal metal-insulator-superconductor (NIS) tunnel junctions. For the insulating barrier, we used both AlO{sub x} and TaO{sub x} (Cu-AlO{sub x}-Al-TaN{sub x} and Cu-TaO{sub x}-TaN{sub x}), with both devices exhibiting temperature dependent current-voltage characteristics which follow the simple one-particle tunneling model. The superconducting gap follows a BCS type temperature dependence, rendering these devices suitable for sensitive thermometry and bolometry from the superconducting transition temperature T{sub C} of the TaN{sub x} film at ∼5 K down to ∼0.5 K. Numerical simulations were also performed to predict how junction parameters should be tuned to achieve electronic cooling at temperatures above 1 K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Quantum phenomena in transport measurements of topological insulator nanostructures (Review Article)

We review the recent experimental advances on quantum phenomena in transport measurements of topological insulators with emphasis on quantum oscillation, weak antilocalization and Aharonov-Bohm effect and Altshuler-Aronov-Spivak effect. Following a brief introduction on the topic, we discuss the identification of the topological surface state based on quantum phenomena. Research prospect of topological insulators is described at the end of this article.

Fang, Lei↗
DOE OSTI2014

Effect of the V{sub As}V{sub Ga} complex defect doping on properties of the semi-insulating GaAs

The different position V{sub As}V{sub Ga} cluster defect doping in semi-insulating (SI) GaAs has been studied by first-principles calculation based on hybrid density functional theory. Our calculated results show that EL6 level is formed due to the V{sub As}V{sub Ga} complex defect, which is very close to the experimental result. It provides the explanation of the absorption of laser with the wavelength beyond in semi-insulating GaAs. The formation energy of V{sub As}V{sub Ga} complex defect is found to decrease from surface to interior gradually. The conduction band minima and valence band maxima of GaAs (001) surface with the V{sub As}V{sub Ga} complex defect are all located at Γ point, and some defect levels are produced in the forbidden band. In contrast, the conduction band minima and valence band maxima of GaAs with the interior V{sub As}V{sub Ga} complex defect are not located at the same k-point, so it might involve the change of momentum in the electron transition process. The research will help strengthen the understanding of photoelectronic properties and effectively guide the preparation of the SI-GaAs materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Metal-insulator transition upon heating and negative-differential-resistive-switching induced by self-heating in BaCo{sub 0.9}Ni{sub 0.1}S{sub 1.8}

The layered compound BaCo{sub 1−x}Ni{sub x}S{sub 2−y} (0.05 < x < 0.2 and 0.05 < y < 0.2) exhibits an unusual first-order structural and electronic phase transition from a low-T monoclinic paramagnetic metal to a high-T tetragonal antiferromagnetic insulator around 200 K with huge hysteresis (∼40 K) and large volume change (∼0.01). Here, we report on unusual voltage-controlled resistive switching followed by current-controlled resistive switching induced by self-heating in polycrystalline BaCo{sub 1−x}Ni{sub x}S{sub 2−y} (nominal x = 0.1 and y = 0.2). These were due to the steep metal to insulator transition upon heating followed by the activated behavior of the resistivity above the transition. The major role of Joule heating in switching is supported by the absence of nonlinearity in the current as function of voltage, I(V), obtained in pulsed measurements, in the range of electric fields relevant to d.c. measurements. The voltage-controlled negative differential resistance around the threshold for switching was explained by a simple model of self-heating. The main difficulty in modeling I(V) from the samples resistance as function of temperature R(T) was the progressive increase of R(T), and to a lesser extend the decrease of the resistance jumps at the transitions, caused by the damage induced by cycling through the transitions by heating or self-heating. This was dealt with by following systematically R(T) over many cycles and by using the data of R(T) in the heating cycle closest to that of the self-heating one.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Inner surface flash-over of insulator of low-inductance high-voltage self-breakdown gas switch and its application

In this paper, the inner surface flash-over of high-voltage self-breakdown switch, which is used as a main switch of pulse modulator, is analyzed in theory by employing the method of distributed element equivalent circuit. Moreover, the field distortion of the switch is simulated by using software. The results of theoretical analysis and simulation by software show that the inner surface flash-over usually starts at the junction points among the stainless steel, insulator, and insulation gas in the switch. A switch with improved structure is designed and fabricated according to the theoretical analysis and simulation results. Several methods to avoid inner surface flash-over are used to improve the structure of switch. In experiment, the inductance of the switch is no more than 100 nH, the working voltage of the switch is about 600 kV, and the output voltage and current of the accelerator is about 500 kV and 50 kA, respectively. And the zero-to-peak rise time of output voltage at matched load is less than 30 ns due to the small inductance of switch. The original switch was broken-down after dozens of experiments, and the improved switch has been worked more than 200 times stably.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Dimensionality-induced insulator-metal crossover in layered nickelates La{sub n+1}Ni{sub n}O{sub 2n+2} (n = 2, 3, and ∞)

Low-valence layered nickelates are a structural analog to the superconducting cuprates and possess interesting properties. In this work, we have systematically studied the electronic structure of La{sub n+1}Ni{sub n}O{sub 2n+2} using first-principles calculations. Our results reveal that the Ni-3d 3z{sup 2} − r{sup 2} orbital state is active and evolves from discrete molecular levels to a continuous solid band and its filling varies as the dimensionality (or n) increases. The two-dimensional (2D) La{sub 3}Ni{sub 2}O{sub 6} and La{sub 4}Ni{sub 3}O{sub 8} are thus found to have a molecular insulating state. In contrast, the 3D LaNiO{sub 2} is metallic and its 3z{sup 2} − r{sup 2} band surprisingly becomes 3D due to the Ni-La hybridization, and the La-5d xy orbital also forms a 2D metallic band. Therefore, La{sub n+1}Ni{sub n}O{sub 2n+2} is a dimensionality-controlled insulator-metal crossover system.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The topological insulator in a fractal space

We investigate the band structures and transport properties of a two-dimensional model of topological insulator, with a fractal edge or a fractal bulk. A fractal edge does not affect the robust transport even when the fractal pattern has reached the resolution of the atomic-scale, because the bulk is still well insulating against backscattering. On the other hand, a fractal bulk can support the robust transport only when the fractal resolution is much larger than a critical size. Smaller resolution of bulk fractal pattern will lead to remarkable backscattering and localization, due to strong couplings of opposite edge states on narrow sub-edges which appear almost everywhere in the fractal bulk.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Atomistic characterization of SAM coatings as gate insulators in Si-based FET devices

Many nano-material systems are currently under consideration as possible candidates for gate dielectric insulators in both metal-oxide-semiconductor (MOSFET) and organic (OFET) field-effect transistors. In this contribution, the possibility of employing self-assembled monolayers (SAMs) of hydroxylated octadecyltrichlorosilane (OTS) chains on a (111) Si substrate as gate dielectrics is discussed; in particular ab initio theoretical simulations have been employed to study the structural properties, work function modifications, and the insulating properties of OTS thin film coatings on Si substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Suppression of the metal-insulator transition by magnetic field in (Pr{sub 1−y}Y{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (y = 0.0625)

The (Pr{sub 1−y}Y{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} compound (y = 0.0625, T{sub MI-SS}=40 K), at the lower limit for occurrence of the first-order metal-insulator (MI) and simultaneous spin-state (SS) transitions, has been studied using electrical resistivity and magnetization measurements in magnetic fields up to 17 T. The isothermal experiments demonstrate that the low-temperature insulating phase can be destabilized by an applied field and the metallic phase returns well below the transition temperature T{sub MI-SS}. The reverse process with decreasing field occurs with a significant hysteresis. The temperature scans taken at fixed magnetic fields reveal a parabolic-like decrease in T{sub MI-SS} with increasing field strength and a complete suppression of the MI-SS transition in fields above 9 T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Estimation of dc transport dynamics in strongly correlated (La,Pr,Ca)MnO{sub 3} film using an insulator-metal composite model for terahertz conductivity

Temperature-dependent conductivities at dc and terahertz (THz) frequency region (σ{sub THz}(ω,T)) were obtained for a strongly correlated (La{sub 0.275}Pr{sub 0.35}Ca{sub 0.375})MnO{sub 3} (LPCMO) film using THz time domain spectroscopy. A composite model that describes σ{sub THz}(ω,T) for LPCMO through the insulator-metal transition (IMT) was established by incorporating Austin-Mott model characterizing the hopping of localized electrons and Drude model explaining the behavior of free electrons. This model enables us to reliably investigate the dc transport dynamics from THz conductivity measurement, i.e., simultaneously evaluate the dc conductivity and the competing composition of metal and insulator phases through the IMT, reflecting the changes in microscopic conductivity of these phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗