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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Structural, elastic, electronic, magnetic and vibrational properties of CuCoMnGa under pressure

First principles calculations for the structural, electronic, elastic and phonon properties of the cubic quaternary heusler alloy CuCoMnGa on pressure have been reported by density functional theory (DFT) within generalized gradient approximation (GGA). The calculated values of the elastic constants were used for estimations of the Debye temperatures, the bulk modulus, the shear modulus, the young modulus E, the poisson's ratio σ and the B/G ratio. The elastic constants satisfy all of the mechanical stability criteria. The electronic structures of the ferromagnetic configuration for CuCoMnGa have a metallic character. The estimated magnetic moment per formula unit is 3.76 μ{sub B}. The phonon dispersion is studied using the supercell approach, and the stable nature at 0.2 GPa pressure is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Dye-sensitized MIL-101 metal organic frameworks loaded with Ni/NiO{sub x} nanoparticles for efficient visible-light-driven hydrogen generation

The Ni/NiO{sub x} particles were in situ photodeposited on MIL-101 metal organic frameworks as catalysts for boosting H{sub 2} generation from Erythrosin B dye sensitization under visible-light irradiation. The highest H{sub 2} production rate of 125 μmol h{sup −1} was achieved from the system containing 5 wt. % Ni-loaded MIL-101 (20 mg) and 30 mg Erythrosin B dye. Moreover, the Ni/NiO{sub x} catalysts show excellent stability for long-term photocatalytic reaction. The enhancement on H{sub 2} generation is attributed to the efficient charge transfer from photoexcited dye to the Ni catalyst via MIL-101. Our results demonstrate that the economical Ni/NiO{sub x} particles are durable and active catalysts for photocatalytic H{sub 2} generation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Synthesis and characterization of Sn-doped hematite as visible light photocatalyst

Highlights: • Sn-doped hematite nanoparticles are prepared by SCS in one step. • The Sn doping have the ability to inhibit particle growth of hematite. • Sn can enhance visible light harvesting and e{sup −}/h{sup +} separation. • Sn-doped hematite degrades MB under visible light effectively. • The products with 5 mol% Sn have the highest photocatalytic activity. - Abstract: Sn-doped hematite nanoparticles are prepared by solution combustion synthesis. The products are characterized with various analytical and spectroscopic techniques to determine their structural, morphological, light absorption and photocatalytic properties. The results reveal that all the samples consist of nanocrystalline hematite with mesoporous structures, and Sn has the ability to inhibit the growth of hematite particle. Compared to pure hematite, the doped hematite samples with appropriate amount of Sn show better activities for degradation of methylene blue under visible light irradiation. The highest activity is observed for 5% Sn doped hematite and this product has long-term stability and no selectivity for dye degradation. The enhanced performance of 5% Sn doped hematite is ascribed to the smaller particle size, increased ability to absorb in visible light, efficient charge separation as well as improved e{sup −} transfer associated with the effects of appropriate amount of Sn doped sample.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The effects of buffer layers on the performance and stability of flexible InGaZnO thin film transistors on polyimide substrates

We demonstrated the fabrication of flexible amorphous indium gallium zinc oxide thin-film transistors (TFTs) on high-temperature polyimide (PI) substrates, which were debonded from the carrier glass after TFT fabrication. The application of appropriate buffer layers on the PI substrates affected the TFT performance and stability. The adoption of the SiN{sub x}/AlO{sub x} buffer layers as water and hydrogen diffusion barriers significantly improved the device performance and stability against the thermal annealing and negative bias stress, compared to single SiN{sub x} or SiO{sub x} buffer layers. The substrates could be bent down to a radius of curvature of 15 mm and the devices remained normally functional.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Preparation and characterization of silk fibroin/HPMC blend film

In this work, the structural and mechanical stability of silk fibroin/Hydroxypropylmethyl cellulose (SF-HPMC) blend films were characterized by X-ray diffraction (XRD) and Universal Testing Machine (UTM). The results indicate that with the introduction of HPMC, the interactions between SF and HPMC results in improved crystallite size and increase in mechanical properties. The blend film obtained is more flexible compared to pure SF film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

On the generation of charge-carrier recombination centers in the sapphire substrates of silicon-on-sapphire structures

A method for the production of high-quality radiation-resistant silicon-on-sapphire structures through the fabrication of a layer of nanopores in sapphire by helium ion implantation, i.e., by creating charge-carrier recombination centers, is proposed. In this case, the quality of the silicon layer is simultaneously improved. The problem of the thermal stability of the pores is discussed with the aim of analyzing the possibility of producing a microcircuit on the resultant modified silicon-on-sapphire sample. The layer of pores possesses a large total surface area and, hence, decreases the lifetime of charge carriers generated during irradiation of the operating microcircuit. This effect reduces the charge at the silicon-sapphire interface and improves radiation resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Quantifying data retention of perpendicular spin-transfer-torque magnetic random access memory chips using an effective thermal stability factor method

The thermal stability of perpendicular Spin-Transfer-Torque Magnetic Random Access Memory (STT-MRAM) devices is investigated at chip level. Experimental data are analyzed in the framework of the Néel-Brown model including distributions of the thermal stability factor Δ. We show that in the low error rate regime important for applications, the effect of distributions of Δ can be described by a single quantity, the effective thermal stability factor Δ{sub eff}, which encompasses both the median and the standard deviation of the distributions. Data retention of memory chips can be assessed accurately by measuring Δ{sub eff} as a function of device diameter and temperature. We apply this method to show that 54 nm devices based on our perpendicular STT-MRAM design meet our 10 year data retention target up to 120 °C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Thermal Degradation of Lead Monoxide Filled Polymer Composite Radiation Shields

Lead monoxide filled Isophthalate resin particulate polymer composites were prepared with different filler concentrations and investigated for physical, thermal, mechanical and gamma radiation shielding characteristics. This paper discusses about the thermo gravimetric analysis of the composites done to understand their thermal properties especially the effect of filler concentration on the thermal stability and degradation rate of composites. Pristine polymer exhibits single stage degradation whereas filled composites exhibit two stage degradation processes. Further, the IDT values as well as degradation rates decrease with the increased filler content in the composite.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Morphology of electrospun nanofibres of polyhydroxybutyrate

This research work focuses on process characteristics of polymer solutions, such as viscosity and electrical conductivity, as well as the parameters of electrospinning using poly-3-hydroxybutyrate modified by titanium dioxide nanoparticles, which have been optimized. Both physical-mechanical characteristics and photooxidation stability of materials have been improved. The structure of materials has been examined by means of X-ray diffraction, differential scanning calorimetry (DSC), IR-spectroscopy, and physical-mechanical testing. The fibrous materials obtained can find a wide application in medicine and filtration techniques as scaffolds for cell growth, filters for body fluids and gas-air media, and sorbents.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis and characterization of Bi-Te-Se thermoelectric materials

Bismuth Telluride (Bi{sub 2}Te{sub 3}) and its related alloys act as a promising thermoelectric material and preferred over other thermoelectric materials due to their high stability and efficiency under ambient conditions. In the present work, we have reported economical, environment friendly and low-temperature aqueous chemical method for the synthesis of Bi-Se-Te alloy. The prepared samples are characterized by X-Ray Diffraction to investigate the structural properties and UV-Visible spectroscopy for the spectroscopic analysis. The absorption spectrum reveals the sensitivity in the ultraviolet as well as in visible region.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Interaction between fullerene halves C{sub n} (n ≤ 40) and single wall carbon nanotube

We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves C{sub n} (n ≤ 40) which are covalently bonded to the side wall of an armchair single wall carbon nanotube (SWCNT) using first principle method based on density functional theory. The fullerene size results in weak bonding between fullerene halves and carbon nanotube (CNT). Further, it was found that the C-C bond distance that attaches the fullerene half and CNT is of the order of 1.60 Å. The calculated binding energies indicate the stability of the complexes formed. The HOMO-LUMO gaps and electron density of state plots points towards the metallicity of the complex formed. Our calculations on charge transfer reveal that very small amount of charge is transferred from CNT to fullerene halves.

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

Enhanced magnetism of Cu{sub n} clusters capped with N and endohedrally doped with Cr

The focus of our work is on the production of highly magnetic materials out of Cu clusters. We have studied the relative effects of N-capping as well as N mono-doping on the structural stability and electronic properties of the small Cu clusters using first principles density functional theory based electronic structure calculations. We find that the N-capped clusters are more promising in producing giant magnetic moments, such as 14 μ{sub B} for the Cu{sub 6}N{sub 6} cluster and 29 μ{sub B} for the icosahedral Cu{sub 13}N{sub 12} cluster. This is accompanied by a substantial enhancement in their stability. We suggest that these giant magnetic moments of the capped Cu{sub n} clusters have relevance to the observed room temperature ferromagnetism of Cu doped GaN. For cage-like hollow Cu-clusters, an endohedral Cr-doping together with the N-capping appears as the most promising means to produce stable giant magnetic moments in the copper clusters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis and characterization of a new photoluminescent material, tris-[1-10 phenanthroline] aluminium

A new photoluminescent material namely tris-[1-10 Phenanthroline] Aluminium Al(Phen){sub 3} has been synthesized and characterized. This material was characterized by fourier transform infrared spectroscopy (FTIR),nuclear magnetic resonance (NMR),mass spectroscopy, thermal gravimetric analysis (TGA),ultraviolet-visible spectroscopy(UV) and photoluminescence (PL). This material shows thermal stability up to 300°C. This material showed absorption maxima at 352nm which may be attributed to the moderate energy (π–π{sup *}) transition. Photoluminescence spectra for this material showed the most intense peak at 423 nm and the time resolved photoluminescence spectra showed two life time components. The decay times of the first and second component were 1.4ns and 4.8 ns respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Development of a novel fcc structure for an amorphous-nanocrystalline Ti-33Nb-4Mn (at.%) ternary alloy

Highlights: • An amorphized-nanocrystalline TiNbMn alloy was obtained via mechanical alloying. • The obtained TiNbMn ternary alloy evolved with the mechanical alloying time. • At lower milling time, two nanocrystalline phases (bcc and fcc) were developed. • At higher milling time, a stable amorphous-nanocrystalline fcc-alloy was obtained. • The fcc structure has not been previously published for Ti based alloys. - Abstract: In this work, a novel amorphous-nanocrystalline titanium‑niobium‑manganese solid solution ternary alloy with a Ti-33Nb-4Mn (at.%) nominal composition was developed by a High-Energy Mechanical Alloying. Nb and Mn were added to the elemental Ti as a β-phase (bcc) stabilizer and an amorphization promoter, respectively. The system evolved from the elemental Ti, Nb and Mn raw materials to a body centred cubic (bcc) TiNbMn alloy and, finally, to the formation of an original and stable face centred cubic (fcc) nanocrystalline TiNbMn alloy, not reported until now, at short milling time (20 h). This alloy remains invariant until 120 h. In turn, the partial amorphization of the system occurs and increases until at intermediate milling time (80 h). The production of both original fcc and the amorphous TiNbMn alloy may be beneficial for reducing the Young's modulus and improving the mechanical strength pursued for the Ti alloy. The optimal milling time respect to the amorphization, nanocrystalline size and Fe mount from milling media was 60 h and 80 h (TiNbMn60h and TiNbMn80h), with > 50 wt% of an amorphous phase and a crystalline domain size of approximately 5 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Stability of UV exposed RR-P3BT films by spectroscopic ellipsometry

Stability of regioregular poly(3-butylthiophene) (RR-P3BT) films under irradiation of ultra-violet (UV) light has been studied by spectroscopic ellipsometry at room temperature. Consistent decrease in dielectric function with UV exposure time showed the degree of degradation of polymer. This work suggests that, protective methods are mandatory to use this kind of material in optical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Stability of multiferroicity against Dy/Mn off-stoichiometry in DyMnO{sub 3}

We investigate the effects of slight Dy/Mn off-stoichiometry on the multiferroic behaviors of DyMnO{sub 3} (Dy{sub 1−x}Mn{sub 1+x}O{sub 3}). It is revealed that the distorted lattice structure and ferroelectric property exhibit higher stability against the Mn deficiency than the Dy deficiency. Since the electric polarization includes the contributions from the Mn-Mn and Dy-Mn interactions, the measured polarization exhibits different dependence on the Mn deficiency from that on the Dy deficiency. The present work suggests that the Dy/Mn off-stoichiometry is detrimental to the ferroelectricity, owing to the modulated spin interactions and reshuffled spin frustration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structural and electrical characterization of CoTiN metal gates

As the gate size continues to decrease in nanoscale transistors, having metal gates with amorphous or near amorphous structures can potentially reduce grain-induced work function variation. Furthermore, amorphous materials are known to have superior diffusion barrier properties, which can help prevent work function change due to the diffusion of metals in contact with the gate. In this work we show that with the addition of cobalt, thin films of polycrystalline TiN become more amorphous with a smaller grain size. Co{sub x}(TiN){sub 1-x} films, where x = 60–80%, appear to consist of nanocrystals embedded in an amorphous matrix, and are thermally stable with no significant crystallization up to an annealing temperature of at least 600 °C. Reducing the nitrogen gas flow ratio during sputter deposition from 9% to 2.5% further decreases the films' crystallinity, which is apparent by more sparse and even smaller nanocrystals. In addition to being partially amorphous, these CoTiN films also exhibit good thermal stability, low resistivity, low roughness, and have the potential for atomic layer deposition compatibility. Even though these materials are not completely amorphous, their small crystal size and amorphous matrix can potentially reduce work function variation and improve their diffusion barrier property. These properties make CoTiN a good candidate as a gate material for future nanoelectronic devices and technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Biosensor properties of SOI nanowire transistors with a PEALD Al{sub 2}O{sub 3} dielectric protective layer

The properties of protective dielectric layers of aluminum oxide Al{sub 2}O{sub 3} applied to prefabricated silicon-nanowire transistor biochips by the plasma enhanced atomic layer deposition (PEALD) method before being housed are studied depending on the deposition and annealing modes. Coating the natural silicon oxide with a nanometer Al{sub 2}O{sub 3} layer insignificantly decreases the femtomole sensitivity of biosensors, but provides their stability in bioliquids. In deionized water, transistors with annealed aluminum oxide are closed due to the trapping of negative charges of <(1–10) × 10{sup 11} cm{sup −2} at surface states. The application of a positive potential to the substrate (V{sub sub} > 25 V) makes it possible to eliminate the negative charge and to perform multiple measurements in liquid at least for half a year.

36 MATERIALS SCIENCE↗