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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Effect of rare earth Ce on the far infrared radiation property of iron ore tailings ceramics

Highlights: • Detailed process proposed for preparation of iron ore tailings ceramics. • Replace natural minerals with iron ore tailings as raw materials for preparing functional ceramics. • Impact mechanism of Ce on far infrared ceramics, as well as its optimum addition amounts can be obtained. • Propose a new perspective on considering the mechanism of far infrared radiation. - Abstract: A kind of far infrared radiation ceramics was prepared by using iron ore tailings, CaCO{sub 3} and SiO{sub 2} as main raw materials, and Ce as additive. The result of Fourier transform infrared spectroscopy showed that the sample exhibits excellent radiation value of 0.914 when doping 7 wt.% Ce. Ce{sup 4+} dissolved into iron diopside and formed interstitial solid solution with it sintered at 1150 °C. The oxidation of Fe{sup 2+} to Fe{sup 3+} caused by Ce{sup 4+} led to a decrease of crystallite sizes and enhancement of Mg–O and Fe–O vibration in iron diopside, which consequently improved the far infrared radiation properties of iron ore tailings ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of structure, size and copper doping on the luminescence properties of ZnS

Highlights: • Blue and green emission intensity form ZnS is sensitive to crystallographic form. • For ZnS nanoparticles, emission characteristics are not affected by copper doping. • Cu solubility poor in ZnS nanoparticles compared to corresponding bulk. - Abstract: Luminescence properties of wurtzite and cubic forms of bulk ZnS have been investigated in detail and compared with that of ZnS nanoparticles. Blue emission observed in both hexagonal and cubic forms of undoped bulk ZnS is explained based on electron–hole recombination involving electron in conduction band and hole trapped in Zn{sup 2+} vacancies where as green emission arises due to electron hole recombination from Zn{sup 2+} and S{sup 2−} vacancies. Conversion of wurtzite form to cubic form is associated with relative increase in intensity of green emission due to increased defect concentration brought about by high temperature heat treatment. Copper doping in ZnS, initially leads to formation of both Cu{sub Zn} and Cu{sub i} (interstitial copper) centers, and latter to mainly Cu{sub Zn} centers as revealed by variation in relative intensities of blue and green emission from the samples.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mo-N-co-doped mesoporous TiO{sub 2} microspheres with enhanced visible light photocatalytic activity

Highlights: • The Mo-N-co-doped mesoporous TiO{sub 2} microspheres were synthesized via a solvothermal method and further nitriding treatment. • The properties of TiO{sub 2} microspheres can be tuned by Mo-N-co-doping. • Photocatalytic rate is much higher than Pure TiO{sub 2} catalyst powder and Mo doped TiO{sub 2} microspheres. • The higher activity is attributed to the large BET surface area, narrow band gap and intense light absorbance in visible region. - Abstract: Mo-N-co-doped mesoporous TiO{sub 2} microspheres were synthesized via a solvothermal method, followed by nitriding treatment under ammonia gas flow. The efficiency of the samples was investigated by monitoring the degradation of Rhodamine-B under visible light irradiation. The experimental results revealed that Mo-N-co-doped mesoporous TiO{sub 2} microspheres showed better performances than Mo-TiO{sub 2} microspheres. It was observed that; 0.1% molar quantity of Mo doped on TiO{sub 2} at 500 °C for 2 h under nitriding conditions gave highest photocatalytic activities. The nitridation under ammonia gas of Mo-TiO{sub 2} samples created oxygen vacant sites and led to incorporation of substitutional and interstitial Nitrogen. The enhanced visible light photocatalytic activities of Mo-N-co-doped TiO{sub 2} photocatalyst was attributed to the large surface areas, narrow band gap and intense light absorbance in visible region. This study may create a promising and eco-friendly method towards synthesis of metal and non-metals co-doped on semiconductor materials to improve their photocatalytic activities and applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Easily separable N-doped ZnO microspheres with high photocatalytic activity under visible light

Highlights: • N-doped ZnO microspheres are successfully prepared for environmental photocatalysis. • N doping is responsible for the highly improved photocatalytic activity. • The microspheres are easily separated from the suspension system by sedimentation. - Abstract: Here, two strategies are simultaneously applied to ZnO for easy separation of the photocatalyst particles by forming micron-sized spheres and for extension of the spectral response into the visible region by nitrogen doping. The prepared nitrogen-doped ZnO microspheres show highly improved photocatalytic activity for the degradation of humic acid (HA), a complex refractory organic compound, under visible light. Substitutional and interstitial doping of nitrogen are behind the improved visible light absorption and photocatalytic activity. Using 1 g/L of N-doped ZnO with urea/Zn molar ratio of 3, 95.4% of HA with an initial concentration of 5 mg/L can be degraded within 80 min of visible light irradiation of 122 mW/cm{sup 2}. Under identical experimental conditions, almost complete mineralization of HA is achieved within 12 h. Holes and hydroxyl radicals are mainly responsible for the degradation of HA. Significant reduction of toxicity of the photocatalytically treated HA solution is realized within 9 h.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structural and optical analysis of Fe doped NiO nanoparticles synthesized by chemical precipitation route

Highlights: • The Fe doped NiO nanoparticles were synthesized by chemical precipitation route. • XRD analysis reveals cubic rock-salt fcc structure of the synthesized nanoparticles. • The Ni-O and Fe-O bonding were confirmed through FTIR spectroscopy. • Existence of nickel or interstitial oxygen vacancies indicates p-type nature of nanoparticles. - Abstract: The Ni{sub 1-x}Fe{sub x}O (x = 0.00, 0.02, 0.04 and 0.06) nanoparticles are synthesized by chemical precipitation route using polyvinyl-pyrrolidone (PVP) and nitrate metal salts. The results of thermogravimetric analysis (TGA) of the synthesized dried hydroxide powders showed that thermal decomposition occurs up to 500 °C so as to form pure Ni{sub 1-x}Fe{sub x}O. Therefore, all synthesized samples were calcined at 500 °C for 4 h and then used for further characterization. Energy dispersive X-ray spectroscopy (EDS) of all the samples showed the presence of Ni, O and Fe without any other impurities. From X-ray diffraction (XRD) and transmission electron microscopy (TEM) we could prove that the samples are polycrystalline in nature and are in single phase. The different vibrational modes in Ni{sub 1-x}Fe{sub x}O (x = 0.00, 0.02, 0.04 and 0.06) nanoparticles were studied by Raman spectroscopy and Fourier transform infrared spectroscopy (FTIR). Further, we analyzed the optical response from ultraviolet-visible spectra and Photoluminescence (PL) spectra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mapping TpPa-1 covalent organic framework (COF) molecular interactions in mixed solvents via atomistic modeling and experimental study

Complex solvent environments continue to limit the widespread adoption of organic solvent nanofiltration (OSN) in many chemical industry applications. In this paper we employ a commercially available covalent organic framework (COF), TpPa-1, and force field models to molecularly map separation performance of TpPa-1 membrane in mixed solvents. To minimize time and length scale mismatch between atomistic modeling and experiments, solvent permeance was normalized with water in modeling and experimental results to enable direct comparison. Model outputs, such as organic solvent permeance and solute rejection rate, matched well with filtration results. Since the atomistic models assume that all mass transfer is via through-pore transport, the discrepancies between modeling and experimental results provide insights on the effect of linear polymer defects, adsorption and interstitial mass transfer on polycrystalline COF membrane performance. In sum, force field models can serve as digital twins of COF membranes to simulate separation processes while capturing the effects of COF structure, chemistry, and crystallinity on membrane performance in complex organic solvent environments. Finally, this approach will provide insight into future COF design and synthesis for persisting separation challenges.

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

Heavy ion irradiation effects on GaN/AlGaN high electron mobility transistor failure at off-state

We investigate the effects of ion irradiation on AlGaN/GaN high electron mobility electron transistors using in-situ transmission electron microscopy. The experiments are performed inside the microscope to visualize the defects, microstructure and interfaces of ion irradiated transistors during operation and failure. Here, experimental results indicate that heavy ions such as Au 4+ can create a significant number of defects such as vacancies, interstitials and dislocations in the device layer. It is hypothesized that these defects act as charge traps in the device layer and the resulting charge accumulation lowers the breakdown voltage. Sequential energy dispersive X-ray spectroscopy mapping allows us to track individual chemical elements during the experiment, and the results suggest that the electrical degradation in the device layer may originate from oxygen and nitrogen vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interdiffusion and Formation of Intermetallic Compounds in High-Temperature Power Electronics Substrate Joints Fabricated by Transient Liquid Phase Bonding

Power electronics packages typically comprise a dielectric substrate bonded to a metal layer and attached to heat sinks using a low-thermal-conductivity solder. These multiple layers increase the effective thermal resistance of the package and are responsible for package failures under cyclic thermal loads. Bonding the aluminum nitride dielectric layer (AlN) directly to a low coefficient of thermal expansion (CTE) aluminum silicon carbide (AlSiC) cold plate using copper-aluminum (Cu-Al) transient liquid phase (TLP) bonding has been shown to improve the mechanical reliability of the power electronic packages while making the package more compact by bringing the cooling solutions closer to the devices. This study aims to characterize the Cu-Al bonds formed during the TLP bonding of AlSiC with three different power electronics substrates: pure aluminum nitride (AlN), aluminum (DBA), and copper (DBC). The material compositions and microstructures of the bonds were analyzed using scanning electron microscopy (SEM), x-ray spectroscopy (EDS), confocal scanning acoustic microscopy (C-SAM), and x-ray diffraction (XRD). ..alpha..-Al solid compound was identified as the dominant phase in AlN-AlSiC and Al-AlSiC, with a notable presence of SiC particles. In contrast, three intermetallic phases - ..theta..-CuAl2, ..eta..-CuAl, and ..gamma..'- Cu9Al4 - were observed in the Cu-AlSiC bond. A computational solid-state diffusion model was developed to predict the intermetallic compounds (IMCs) formed during Cu-Al TLP bonding in each system, which supported the observation that an initial Cu volume fraction of 20 % in the material layers produced a final bond composition of >95 % Al with minimal IMC growth. However, increased Cu concentrations produced higher concentration gradients, leading to increased growth of IMCs, Kirkendall voids, and interstitial cracks.

DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Hydrogen isotope trapping in Al-Cu binary alloys

In this study, the trapping mechanisms for hydrogen isotopes in Al–X Cu (0.0 at. % < X < 3.5 at. %) alloys were investigated using thermal desorption spectroscopy (TDS), electrical conductivity, and differential scanning calorimetry. Constant heating rate TDS was used to determine microstructural trap energies and occupancies. In addition to the trapping states in pure Al reported in the literature (interstitial lattice sites, dislocations, and vacancies), a trap site due to Al–Cu intermetallic precipitates is observed. The binding energy of this precipitate trap is (18 ± 3) kJ•mol –1 (0.19 ± 0.03 eV). Typical occupancy of this trap is high; for Al–2.6 at. % Cu (a Cu composition comparable to that in AA2219) charged at 200 °C with 130 MPa D 2 for 68 days, there is ca. there is 3.15×10 –7 mol D bound to the precipitate trap per mol of Al, accounting for a third of the D in the charged sample.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effects of heat treatments on microstructure and properties of Ti-6Al-4V ELI alloy fabricated by electron beam melting (EBM)

Electron beam melting (EBM) is a metal powder bed fusion additive manufacturing (AM) technology that is used to fabricate three-dimensional near-net-shaped parts directly from computer models. Ti-6Al-4V is the most widely used and studied alloy for this technology and is the focus of this work in its ELI (Extra Low Interstitial) variation. The mechanisms of microstructure formation, evolution, and its subsequent influence on mechanical properties of the alloy in as-fabricated condition have been documented by various researchers. In the present work, the thermal history resulting in the formation of the as-fabricated microstructure was analyzed and studied by a thermal simulation. Subsequently different heat treatments were performed based on three approaches in order to study the effects of heat treatments on the singular and exclusive microstructure formed during the EBM fabrication process. In the first approach, the effect of cooling rate after the solutionizing process was studied. In the second approach, the variation of α lath thickness during annealing treatment and correlation with mechanical properties was established. In the last approach, several solutionizing and aging experiments were conducted.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparing structure-property evolution for PM-HIP and forged alloy 625 irradiated with neutrons to 1 dpa

The nuclear power industry has growing interest in qualifying powder metallurgy with hot isostatic pressing (PM-HIP) to replace traditional alloy fabrication methods for reactor structural components. But there is little known about the response of PM-HIP alloys to reactor conditions. This study directly compares the response of PM-HIP to forged Ni-base Alloy 625 under neutron irradiation doses ~0.5–1 displacements per atom (dpa) at temperatures ranging ~321–385 °C. Post-irradiation examination involves microstructure characterization, ASTM E8 uniaxial tensile testing, and fractography. Up through 1 dpa, PM-HIP Alloy 625 appears more resistant to irradiation-induced cavity nucleation than its forged counterpart, and consequently experiences significantly less hardening. This observed difference in performance can be explained by the higher initial dislocation density of the forged material, which represents an interstitial-biased sink that leaves a vacancy supersaturation to nucleate cavities. These findings show promise for qualification of PM-HIP Alloy 625 for nuclear applications, although higher dose studies are needed to assess the steady-state irradiated microstructure.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Tunable structural, morphological and optical properties of undoped, Mn, Ni and Ag-doped CuInS 2 thin films prepared by AACVD

The preparation of high-quality copper indium sulphide, CuInS 2 photo-absorber material with tunable properties for efficient, low-cost, thin film solar cells using scalable methods remains a challenge. In order to address this, high quality off-stoichiometric undoped and Mn, Ni and Ag-doped CuInS 2 (CIS) thin films have been deposited onto glass substrates by aerosol-assisted chemical vapour deposition (AACVD) using metal diethyldithiocarbamate precursors at temperatures of 350, 400 and 450 °C. Data from powder X-ray diffraction (p-XRD), Raman spectroscopy and scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS) suggest a correlation of morphology and composition of tetragonal phase (chalcopyrite and copper-gold-type) sulphur-deficient microcrystalline CIS thin films. For undoped thin films, near-infrared optical absorption and emission with tunable band gap between 1.32 and 1.42 eV are likely associated with donor-acceptor pairs involving deep or shallow electronic states such as sulphur vacancies (V S •• ), indium-copper anti-sites (In Cu •• ) and indium interstitials (In i ••• ) as donors and copper vacancies (V Cu ') as acceptors. Whilst Mn-doped thin films exhibit minimal tunable properties, Ni and Ag-doped films exhibit tunable morphology, composition and near-infrared absorption for small dopant content. Here, though further studies are required to explore the defect chemistry, these results show the utility of AACVD in tuning structural, morphological and optical properties of undoped, Mn, Ni and Ag-doped CIS thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2019

In-situ TEM study of microstructural evolution in NFA and Cr 3 C 2 @SiC-NFA composite during ion irradiation

In this article, the ion irradiation responses of a Fe-based nanostructured ferritic alloy or ‘NFA’ (Fe–9Cr–2W–0.2V–0.4Ti–0.3Y 2 O 3 ) and a Cr 3 C 2 @SiC-NFA composite were assessed. In-situ ion irradiation with TEM observation was carried out by using 1 MeV Kr ++ ions at doses of 0, 1, 3, 5, 10 dpa and temperatures of 300 °C and 450 °C. Both the NFA and Cr 3 C 2 @SiC-NFA samples showed significant dislocation density after 10 dpa at 300 °C. However, the Cr 3 C 2 @SiC-NFA composite showed a significantly lower dislocation loop density and a smaller average loop size during the irradiation at 450 °C as opposed to the NFA. At 300 °C, 1/2<111> type dislocation loops were observed in both the NFA and Cr 3 C 2 @SiC-NFA samples. Interestingly, at 450 °C, <100> type loops were dominant in the NFA sample while 1/2<111> type loops were still dominant in the Cr 3 C 2 @SiC-NFA sample. The results were discussed based on the large surface sink effects and enhanced interstitial-vacancy recombination at higher temperatures. Lastly, the additional Si element in the Cr 3 C 2 @SiC-NFA sample might have played a significant role in determining the dominant loop types.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Radiation response of a Fe–20Cr–25Ni austenitic stainless steel under Fe 2+ irradiation at 500 °C

The radiation response of a Fe–20Cr–25Ni austenitic stainless steel under self-ion irradiation at 500 °C was systematically investigated. The steel was irradiated at 500 °C by 3.5 MeV Fe 2+ ions to 10, 50, and 150 peak dpa, respectively. In the 200–400 nm depth region, radiation-induced Frank loops were relatively stable in both size and number density from 10 to 150 peak dpa. Anisotropic distribution of Frank loops was observed in the 50 and 150 peak dpa specimens, possibly due to interaction of Frank loops and network dislocations with preferred orientations. Coarse voids were found only in the 50 and 150 peak dpa specimens in depths less than 750 nm, suggesting that injected interstitials at deeper regions suppressed the void nucleation. The peak swelling was very low (~0.4%) for both 50 and 150 peak dpa irradiation. Radiation also led to the formation of intragranular plate-like Cr-rich carbides. Radiation-induced segregation of Ni and Si was found at various sinks: dislocation loops, void surfaces, and carbide-matrix interfaces. Finally, irradiation hardening was measured by nanoindentation and the results are consistent with microstructure-based calculations using the dispersed barrier hardening model. The major contributor to irradiation hardening changed from Frank loops at the lowest dose to network dislocations at the highest dose.

dislocation loops↗
DOE OSTI2024

Engineering shallow and deep level defects in $\kappa$-Ga 2 O 3 thin films: comparing metal-organic vapour phase epitaxy to molecular beam epitaxy and the effect of annealing treatments

Orthorhombic gallium oxide (κ-Ga 2 O 3 ) is an ultra-wide bandgap semiconductor with great potential in new generation electronics. Its application is hindered at present by the limited physical understanding of the relationship between synthesis and functional properties. This work discusses the effects of growth method (metal-organic vapour phase epitaxy and molecular beam epitaxy) as well as annealing treatments in different atmospheres (O 2 , H 2 ) on point defects in κ-Ga 2 O 3 layers epitaxially grown on c-plane sapphire. Comprehensive experimental characterization by X-ray diffraction, photo current-as well as photoluminescence excitation spectroscopy, and X-ray photo electron spectroscopy is combined with first principles calculations of the point defects’ formation and complex-dissociation energies. We demonstrate that for κ-Ga 2 O 3 the concentration of shallow and deep level defects can be sensitively controlled through annealing treatments at temperatures (T = 500 °C) well below the thermal stability threshold of this polymorph. In particular, our results suggest that hydrogen-related defects (e.g., H-interstitials, Ga-vacancies—H complexes) play a key role in this process. While we provide direct exemplary implications of our results for the performances of κ-Ga 2 O 3 based photodetectors, these findings are predicted to impact further application fields of κ-Ga 2 O 3 , such as high electron mobility transistors or memory devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Structure-dependent performance of TiO 2 /C as anode material for Na-ion batteries

The performance of energy storage materials is highly dependent on their nanostructures. Herein, hierarchical rod-in-tube TiO 2 with a uniform carbon coating is synthesized as the anode material for sodium-ion batteries by a facile solvothermal method. This unique structure consists of a tunable nanorod core, interstitial hollow spaces, and a functional nanotube shell assembled from two-dimensional nanosheets. By adjusting the types of solvents used and reaction time, the morphologies of TiO 2 /C composites can be tuned to nanoparticles, microrods, rod-in-tube structures, or microtubes. Among these materials, rod-in-tube TiO 2 with a uniform carbon coating shows the highest electronic conductivity, specific surface area (336.4 m 2 g -1 ), and porosity, and these factors lead to the best sodium storage capability. Benefiting from the unique structural features and improved electronic/ionic conductivity, the as-obtained rod-in-tube TiO 2 /C in coin cell tests exhibits a high discharge capacity of 277.5 and 153.9 mAh g -1 at 50 and 5000 mA g -1 , respectively, and almost 100% capacity retention over 14,000 cycles at 5000 mA g -1 . In operando high-energy X-ray diffraction further confirms the stable crystal structure of the rod-in-tube TiO 2 /C during Na + insertion/extraction. Finally, this work highlights that nanostructure design is an effective strategy to achieve advanced energy storage materials.

25 ENERGY STORAGE↗