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DOE OSTI2015

Nonlinear shearing modes approach to the diocotron instability of a planar electron strip

The nonlinear evolution of the diocotron instability of a planar electron strip is investigated analytically by means of the nonlinear shearing mode for the solution of the initial and boundary value problems. The method is based on the sheared spatial coordinates which account for the motion of electron flow in the electrostatic field of the unstable diocotron modes in addition to the unperturbed sheared motion of the electron flow on the transformed shear coordinates. The time evolutions are studied by the solution of the initial and boundary value problems. The obtained solutions for the perturbed electrostatic potential include two nonlinear effects—the effect of the distortion of the boundaries of the planar electron strip and the effect of the coupling of the sheared nonmodal diocotron modes. It was proved by a two-dimensional particle-in-cell simulation that the developed theory is valid as long as the distortion of the boundaries of the basic shear flow does not change the frequency and growth rate of the linear diocotron instability in the transformed coordinates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Energy conversion and transfer for plasmas in a magnetic expansion configuration

A two-dimensional axisymmetric particle-in-cell code with Monte Carlo collision conditions has been used to study particle energy transfer in plasmas and conversion in applied magnetic and electric fields appropriate to coaxial acceleration. The research incorporates a computation scheme with: a model of single particle magnetic interactions; a model of single particle interactions in electric and magnetic fields; and a model of multi-particle collisional interactions in order to understand the energy transfer processes and conversion mechanisms of charged plasma particles. This approach predicts electron and ion motions along with their energy variations for physical conditions that occur in the related models; the results allow comparison with experimental data for magnetic field strengths of 0.01–0.05 T and electrode voltages of 22.0–32.0 V. With the incorporation of magnetic and electric field effects on charged particles, the multi-particle model includes electron-neutral ionization collisions, ion-neutral charge exchange collisions, and electron-ion Coulomb collisions. This research presents a new approach to achieve an underlying understanding of the plasma energy transfer and conversion in the external electric and magnetic fields that is not possible using magnetohydrodynamics continuum representations. Results indicate the following innovative conclusions: (1) Radial and azimuthal energies of magnetized electrons are converted into an axial electron energy component in the diverging magnetic field, and the azimuthal kinetic energy of unmagnetized ions is converted into axial and radial components. (2) In electric and magnetic fields, electric field energy is primarily converted into axial kinetic energy of magnetized electrons by the energy transformation effects of magnetic fields, and for unmagnetized ions, the radial kinetic energy component dominates in the conversion of electric field energy. (3) For the collisional plasma, electron kinetic energy tends to increase (or decrease) to a terminal value since electrons lose energy in collisions then gain energy again from the field. Ions acquire most energy directly from the electric field, although part of the electric field energy arrives to the ions by collisions. Further, the ion axial energy component dominates the total ion energy. The collision processes are found to be integral and essential for the conversion of the plasma non-directed energy gain to be converted into the resultant axial energy, the magnitudes of which are found to be in agreement with experimental results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

Structural transformation in nickel doped zinc oxide nanostructures

Graphical abstract: Display Omitted Highlights: ► A systematic study of 1–10% Ni doped ZnO nanostructures (Ni:ZnO NS). ► Effect of Ni concentration on properties of Ni:ZnO NS was intensively investigated. ► Structural transformation in Ni:ZnO NS demonstrated through characterizations. ► Alteration in vibrational modes of Ni:ZnO NS were meticulously analyzed. ► Intricacies of structural evolution, from particles to rods, were comprehended. -- Abstract: In this article, structural transformation in nickel doped zinc oxide nanostructures is reported. The ZnO nanostructures are synthesized with 1–10% of nickel doping through a chemical precipitation method. The undoped and doped nanostructures were systematically investigated employing X-ray diffraction (XRD), transmission and scanning electron microscopy (TEM/SEM), Fourier transform infrared (FTIR) and micro-Raman spectroscopy (μRS). The wurtzite phase of the material and associated lattice parameters were ascertained through XRD analysis. TEM/SEM images reveal the structural transformation of ZnO nanostructures with variation in nickel doping. The study of vibrational modes of nanostructures at different stages of structural transformation, as performed through FTIR and Raman spectroscopy, assist in deciphering the pivotal role of doping concentration in gradual evolution of nickel doped ZnO structure from nanoparticles to nanorods.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Thermally Induced 2D Alloy-Heterostructure Transformation in Quaternary Alloys

Composition and phase specific 2D transition metal dichalogenides (2D TMDs) with a controlled electronic and chemical structure are essential for future electronics. While alloying allows bandgap tunability, heterostructure formation creates atomically sharp electronic junctions. Herein, the formation of lateral heterostructures from quaternary 2D TMD alloys, by thermal annealing, is demonstrated. Phase separation is observed through photoluminescence and Raman spectroscopy, and the sharp interface of the lateral heterostructure is examined via scanning transmission electron microscopy. The composition–dependent transformation is caused by existence of miscibility gap in the quaternary alloys. The phase diagram displaying the miscibility gap is obtained from the reciprocal solution model based on density functional theory and verified experimentally. In conclusion, the experiments show direct evidence of composition–driven heterostructure formation in 2D atomic layer systems.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Pencil-like zinc oxide micro/nano-scale structures: Hydrothermal synthesis, optical and photocatalytic properties

Graphical abstract: - Highlights: • Zinc oxide micro/nanopencils have been synthesized hydrothermally. • Photocatalytic activity has been evaluated by the degradation of methylene blue under UV light irradiation. • ZnO nanopencils exhibit much higher photocatalytic activity than the commercial ZnO. - Abstract: Zinc oxide micro/nanopencils have been successfully synthesized by hydrothermal process using zinc acetate and diamines as structure-directing agents. The morphology, the structure, the crystallinity and the composition of the materials were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The optical properties of synthesized ZnO were investigated by UV–vis spectroscopy. The photocatalytic activity of the material has been evaluated by the degradation of methylene blue under UV irradiation. As a result, after the lapse of 150 min, around 82% bleaching was observed, with ZnO nanopencils yielding more photodegradation compared to that of commercial ZnO (61%)

36 MATERIALS SCIENCE↗

DOE OSTI2020

Thermal Design Consideration of Medium Voltage High Frequency Transformers

This paper describes a thermal design using epoxy potting for high frequency transformer (HFT) for medium voltage high power electronic applications, namely emerging solid-state transformers. To address HFT’s thermal stress problem, thermal performance of the HFT with air and epoxy potting cooling method are both simulated by magnetothermal-fluid coupling method (MTFCM). The effectiveness of the simulation analysis is verified in a 100 kW DC-DC resonant converter. Influencing factors including distance between the high frequency transformer and the metal enclosure, epoxy thermal conductivity and heat sink placements are simulated and analyzed. Finally, an optimal cooling structure is proposed for future high power HFTs.

Wang, Haoming↗

DOE OSTI2016

Heat-Induced Phase Transformation of Three-Dimensional Nb 3 O 7 (OH) Superstructures: Effect of Atmosphere and Electron Beam

Nanostructured niobium oxides and hydroxides are potential candidates for photochemical applications due to their excellent optical and electronic properties. In the present work the thermal stability of Nb 3 O 7 (OH) superstructures prepared by a simple hydrothermal approach is investigated at the atomic scale. Transmission electron microscopy and electron energy-loss spectroscopy provide insights into the phase transformation occurring at elevated temperatures and probe the effect of the atmospheric conditions. In the presence of oxygen, H 2 O is released from the crystal at temperatures above 500 °C, and the crystallographic structure changes to H-Nb 2 O 5 . In addition to the high thermal stability of Nb 3 O 7 (OH), the morphology was found to be stable, and first changes in the form of a merging of nanowires are not observed until 850 °C. Under reducing conditions in a transmission electron microscope and during electron beam bombardment, an oxygen-deficient phase is formed at temperatures above 750 °C. This transformation starts with the formation of defects in the crystal lattice at 450 °C and goes along with the formation of pores in the nanowires which accommodate the volume differences of the two crystal phases.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Preparation, characterization and CO{sub 2} gas sensitivity of Polyaniline doped with Sodium Superoxide (NaO{sub 2})

Highlights: • NaO{sub 2} prepared in single step method from NaNO{sub 3} in oxygen rich environment. • The sensors show better performance towards the CO{sub 2}. • A significant sensitivity and fast response toward of CO{sub 2} is observed. • Sensing response assign to transition from n-type to p-type behavior of samples. - Abstract: The sodium superoxide was prepared in single step method by heating sodium nitrate (NaNO{sub 3}) in oxygen rich environment. The PANi/NaO{sub 2} composites were prepared using Ex-situ technique range from 5–20 wt.%. The crystallinity and structure morphology of the PANi/ NaO{sub 2} composite films were characterized by X-ray diffraction, Scanning electron microscopy and Fourier transform infrared spectroscopy respectively. The sensor response was estimated by the change in electrical resistance of sensor in presence of CO{sub 2} gas. The sensor response and selectivity for pure PANi and doped PANi/NaO{sub 2} sensors as a function of concentration of CO{sub 2} at room temperature has been systematically studied. The sensors show better performance towards the CO{sub 2}. A significant sensitivity and fast response toward CO{sub 2} observed for the 20 wt.% PANi/NaO{sub 2} composite film. The sensing response curve assign to transition from n-type to p-type behavior of samples.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Non-toxic silver iodide (AgI) quantum dots sensitized solar cells

Highlights: • We have demonstrated AgI sensitized solar cell for the first time. • Obtained mesoporous titania powders possessed small crystallite size, high purity and surface area, and developed mesopores with a narrow pore size distribution. • Photovoltaic measurements revealed the electron injection from AgI to TiO{sub 2}. • The assembled AgI-QD solar cells yielded a power conversion efficiency of 0.64% under one sun illumination. • AgI may be a suitable candidate material for use as a non-toxic sensitizer in QDSSC. - Abstract: The present study reports the performance of a new photosensitizer -AgI quantum dots (QDs)- and mesoporous titania (TiO{sub 2}) nanocrystals synthesized by sol–gel (SG) method for solar cells. Furthermore, the effects of n-heptane on the textural properties of TiO{sub 2} nanocrystals were comprehensively investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), N{sub 2} adsorption–desorption measurements, and UV–vis spectroscopy. TiO{sub 2} powders exhibited an anatase-type mesoporous structure with a high surface area of 89.7 m{sup 2}/g. Afterwards, the QDs were grown on mesoporous TiO{sub 2} surface to fabricate a TiO{sub 2}/AgI electrode by a successive ionic layer adsorption and reaction (SILAR) deposition route. Current–voltage characteristics and electrochemical impedance spectroscopy (EIS) data demonstrated that the injection of photoexcited electrons from AgI QDs into the TiO{sub 2} matrix produces photocurrents. The assembled AgI-QD solar cells yielded a power conversion efficiency of 0.64% and a short-circuit current of 2.13 mA/cm{sup 2} under one sun illumination.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Extraction of Microcrystalline Cellulose from Cotton Sliver and Its Comparison with Commercial Microcrystalline Cellulose

The work was aimed at the extraction of microcrystalline cellulose (EMC) from raw cotton sliver (RCS) by acid hydrolysis using sulphuric acid. The EMC was characterized and compared with commercial grade microcrystalline cellulose (CMC). Basic chemical pretreatments, bleaching and scouring were given to the RCS before extraction to remove natural colourants and hydrophobic impurities like oils, waxes, minerals, fats etc. The properties of EMC and CMC are considerably different from the RCS. Average particle size obtained was around 5–10 µm for EMC and CMC respectively. The EMC suspension was more stable than CMC suspension. The RCS, EMC and CMC were characterized by using X-ray diffraction, thermogravimetric analysis, Fourier transform infrared spectroscopy, scanning electronic microscopy and contact angle. EMC prepared from RCS has properties at par with CMC. Cotton being rich in cellulose content can be potentially used as the source for microcellulose extraction, particularly in the production of hydrophilic microcomposites.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Microwave spectroscopy of the allenyloxy radical (CH{sub 2}=CCHO)

Pure rotational spectra of the allenyloxy radical (CH{sub 2}=CCHO) were observed by Fourier transform microwave (FTMW) and FTMW-millimeter wave double-resonance spectroscopy. Molecular constants including the hyperfine interaction constants of CH{sub 2}=CCHO in the {sup 2}A{sup ″} ground electronic state were precisely determined. Ab initio calculations indicate that CH{sub 2}=CCHO has a linear C−C−C backbone with C{sub s} symmetry, where the formyl group is in the C{sub s} plane and perpendicular to the methylene group. The determined rotational constants and the inertial defect agree well with those derived from the calculations, implying that the calculated molecular structure is reasonable. The fine and hyperfine constants also agree with those derived from the calculated spin density, where the unpaired electron is located mainly on the central carbon atom. The ground state CH{sub 2}=CCHO can, thus, be described as taking the formylvinyl (CH{sub 2}=Ċ−CH=O) form rather than as the allenyloxy (CH{sub 2}=C=CH−O{sup .}) form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Electron backscatter diffraction studies of focused ion beam induced phase transformation in cobalt

A focused ion beam microscope was used to induce cubic to hexagonal phase transformation in a cobalt alloy, of similar composition to that of the binder phase in a hardmetal, in a controlled manner at 0°, 45° and 80° ion incident angles. The cobalt had an average grain size of ~ 20 μm, allowing multiple orientations to be studied, exposed to a range of doses between 6 × 10{sup 7} and 2 × 10{sup 10} ions/μm{sup 2}. Electron backscatter diffraction (EBSD) was used to determine the original and induced phase orientations, and area fractions, before and after the ion beam exposure. On average, less phase transformation was observed at higher incident angles and after lower ion doses. However there was an orientation effect where grains with an orientation close to (111) planes were most susceptible to phase transformation, and (101) the least, where grains partially and fully transformed at varying ion doses. - Highlights: •Ion-induced phase change in FCC cobalt was observed at multiple incidence angles. •EBSD was used to study the relationship between grain orientation and transformation. •Custom software analysed ion dose and phase change with respect to grain orientation. •A predictive capability of ion-induced phase change in cobalt was enabled.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Thermal Analysis of the Advanced Modular Power Systems (AMPS) Power Electronic Modules

In an effort to transform future space power system architectures and operations, the Advanced Modular Power Systems (AMPS) project is currently developing an interface standard for power electronic modules to enable modular architectures for space power systems. Each architecture would consist of one or more modular electronic units (MEU) that would comprise of a tailored combination of modules. The standard currently comprises modules enabling switchgear, power conversion, and data interfacing. The objective of the AMPS project is to enable the modularity and interchangeability of different architectures using these standardized modules in hopes of reducing complexity and cost, increasing inherent redundancy and reliability, and minimizing power system redesign for future programs. A key enabler to these future modular architectures will be the thermal management system, which has to contend with acquiring heat from the electronics modules at the card level and then transporting that heat to the radiator of the larger system. The focus of this paper, therefore, will be the thermal design and analysis of multiple AMPS power electronics modules and the development of their thermal-vacuum test.

Modular Power Electronics↗

DOE OSTI2014

Synthesis and photocatalytic property of BiOBr/palygorskite composites

Graphical abstract: - Highlights: • BiOBr/palygorskite composite photocatalysts were prepared for the first time. • The synchronous role of adsorbability and photocatalytic oxidation was studied. • BiOBr/palygorskite composite exhibit enhanced photocatalytic activities. • The optimal ratio of [Bi]/palygorskite was identified. - Abstract: BiOBr/palygorskite composite photocatalysts were prepared by a hydrothermal method for the first time, which were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformed infrared spectroscopy (FTIR), N{sub 2}-sorption and UV–vis diffuse reflectance spectroscopy. The photocatalytic activity of the as-prepared samples was evaluated by decomposition of methyl orange (MO) under visible light irradiation. The results revealed that BiOBr/palygorskite composites had strong photoabsorption in the visible light region. All BiOBr/palygorskite composites possessed higher photocatalytic activity than pure BiOBr. The highest activity was obtained by S5.0 sample. The enhanced photocatalytic performance was attributed to strong photoabsorption, the synchronous role of adsorbability and photocatalytic oxidation on BiOBr/palygorskite composites and the efficient separation of photogenerated electron–hole pairs.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Magnetic and Structural Properties of SrFe{sub 12−x}Cr{sub x}O{sub 19} (x = 0, 0.25, 0.5, 0.75, 1) Hexaferrite Powders Obtained by Sol–Gel Auto-Combustion Method

The crystalline structure and magnetic properties of chromium substituted hexagonal strontium ferrite, SrFe{sub 12−x}Cr{sub x}O{sub 19} (x = 0, 0.25, 0.5, 0.75, 1), nanoparticles have been investigated by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), and vibrating sample magnetometer (VSM). These materials were prepared by the chemical sol–gel auto-combustion method. From the structural analysis, it was observed that the non-magnetic phase α-Fe{sub 2}O{sub 3} appears after x ≥ 0.5 and remains to be a hexagonal magnetoplumbite phase for x < 0.5. Various parameters such as lattice constants (a and c) were calculated from the XRD data. The coercively H{sub c} initially decreases and then increases with increasing chromium concentration. The saturation magnetization exhibits an increase as the chromium content increases up to (x = 0.25) and then decreases with increase in the Cr content ion from 75.19 to 61.66 emu/g due to the substitution of Fe{sup 3+} ions by less magnetic Cr{sup 3+} ions. Furthermore, M{sub r} continually decreases with increase in the Cr content.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

Effects of the solvent on the structure, morphology and photocatalytic properties of Bi{sub 2}MoO{sub 6} in the solvothermal process

Graphical abstract: Various nanostructure Bi{sub 2}MoO{sub 6} photocatalysts have been prepared by a solvothermal process via simply altering the used solvent. It is revealed that the type of solvents has a strong influence on the morphology of Bi{sub 2}MoO{sub 6}. This could be understood in terms of the reaction media effect on the crystal growth. The photocatalytic experiments for the decomposition of RhB demonstrate that the samples prepared by different solvents show different photocatalytic activity. The highest photocatalytic activity is obtained by the sample with glycol as solvent. Highlights: ► The used solvent in the synthesis can affect the morphology and size of Bi{sub 2}MoO{sub 6}. ► Different solvent in the reaction leads to different surface area and pore size. ► The highest photocatalytic activity is obtained by the sample prepared in glycol. ► The high activity is mainly due to the large surface area and small particle size. - Abstract: Visible-light-driven photocatalyst Bi{sub 2}MoO{sub 6} was prepared by a solvothermal process with different kinds of solvent including water, isopropanol and ethylene glycol. The obtained samples were characterized by X-ray diffraction technique, N{sub 2}-sorption, UV–vis diffuse reflectance spectra, transmission electron microscopy and Fourier transform infrared spectroscopy. The results revealed that the type of solvent has a strong influence on the morphologies and physico-chemical properties of Bi{sub 2}MoO{sub 6}. Meanwhile, the formation mechanism of Bi{sub 2}MoO{sub 6} with various morphologies was discussed. The photocatalytic activities of Bi{sub 2}MoO{sub 6} photocatalysts were evaluated by the decomposition of rhodamine B (RhB) under visible light irradiation (λ > 420 nm). It was found that the sample prepared with glycol as solvent showed the best performance in the photodegradation of RhB under visible light irradiation. This could be ascribed to the large surface area, unique morphology and small particle size.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Electrospun montmorillonite modified poly(vinylidene fluoride) nanocomposite separators for lithium-ion batteries

Highlights: • Composite separators of PVDF and MMT for lithium-ion batteries were electrospun. • Thermal dimensional stability and tensile property of composite separators get improved. • Presence of montmorillonite promotes electrical properties of PVDF fibrous separators. • Batteries consisting of PVDF/MMT-5% separator achieve the best performance. - Abstract: Composite separators of poly(vinylidene fluoride) (PVDF) with different contents of montmorillonite (MMT) for Li-ion batteries have been fabricated by electrospinning. The morphology, function group, crystallinity, and mechanical properties of membranes were investigated by scanning electron microscope (SEM), Fourier Transform infrared spectra (FT-IR), differential scanning calorimetry (DSC), and tensile test, respectively. Interlayer spacing of MMT in polymer was characterized by X-ray diffraction (XRD). In addition, the results of electrochemical measurements suggest that PVDF/MMT-5% composite membrane has maximum ionic conductivity of 4.2 mS cm{sup −1}, minimum interfacial resistance of 97 Ω, and excellent electrochemical stability. The cell comprising PVDF/MMT-5% composite membrane shows higher capacity and more stable cycle performance than the one using commercial Celgard PP membrane.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Observations on size confinement effect in B-C-N nanoparticles embedded in mesoporous silica channels

Fluorescent B-C-N/silica nanoparticles were synthesized by solution impregnation method. Effect of B-C-N particle size on the optical properties was investigated by varying the silica pore sizes. Formation of B-C-N nanoparticles within the mesoporous matrix is confirmed by x-ray diffraction, transmission electron microscopy, and Fourier transform infrared spectroscopy. Furthermore, a remarkable blue-shift in emission peak centres with decreasing pore size in conjugation with band gap modification, ascribed to the size confinement effect. A detailed analysis of experimental results by theoretically defined confinement models demonstrates that the B-C-N nanoparticles in the size range of 3–13 nm falls within the confinement regime. This work demonstrated the experimental evidence of the size confinement effect in smaller size B-C-N nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗