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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Thermal Conductivity of Ultem(TradeMark)/Carbon Nanofiller Blends

In an effort to improve polymer thermal conductivity (TC), Ultem(TradeMark) 1000 was compounded with nano-fillers of carbon allotropes. Ultem(TradeMark) 1000 was selected since it is both solution and melt processable. As-received and modified multiwalled carbon nanotubes (MWCNTs), vapor grown carbon nanofibers (CNF) and expanded graphite (EG) were investigated. MWCNTs were modified by functionalizing the surface through oxidization with concentrated acids, mixing with an alkyl bromide, and addition of alkyl and phosphorus compounds after initial treatment with n-butyl lithium. Functionalization was performed to improve the TC compatibility between the resin and MWCNTs. It was postulated that this may provide an improved interface between the MWCNT and the polymer which would result in enhanced TC. The nano-fillers were mixed with Ultem(TradeMark) 1000 in the melt and in solution at concentrations ranging from 5 to 40 wt%. Ribbons were extruded from the blends to form samples where the nano-fillers were aligned to some degree in the extrusion direction. Samples were also fabricated by compression molding resulting in random orientation of the nano-fillers. Thermal properties of the samples were evaluated by Differential Scanning Calorimetry (DSC) and Thermal Gravimetric Analyzer (TGA). Tensile properties of aligned samples were determined at room temperature. The specimens were cut from the ribbons in the extrusion direction; hence the nano-fillers are somewhat aligned in the direction of stress. Typically it was observed that melt mixed samples exhibited superior mechanical properties compared to solution mixed samples. As expected, increased filler loading led to increased modulus and decreased elongation with respect to the neat polymer. The degree of dispersion and alignment of the nano-fillers was determined by high-resolution scanning electron microscopy (HRSEM). HRSEM of the ribbons revealed that the MWCNTs and CNFs were predominantly aligned in the flow direction. The TC of the samples was measured using a Nanoflash(TradeMark) instrument. Since the MWCNTs and CNF are anisotropic, the TC was expected to be different in the longitudinal (parallel to the nanotube and fiber axis) and transverse (perpendicular to the nanotube and fiber axis) directions. The extruded ribbons provided samples for transverse TC measurements. However, to determine the TC in the longitudinal direction, the ribbons needed to be stacked and molded under 1.7 MPa and 270 C. Samples were then obtained by cutting the molded block with a diamond saw. The largest TC improvement was achieved for aligned samples when the measurement was performed in the direction of MWCNT and CNF alignment (i.e. longitudinal axis). Unaligned samples also showed a significant improvement in TC and may be potentially useful in applications when it is not possible to align the nano-filler. The results of this study will be presented.

Ghose, S.↗
DOE OSTI2016

Quasi-two-dimensional metallic hydrogen in diphosphide at a high pressure

The structural, electronic, phonon, and other characteristics of the normal phases of phosphorus hydrides with stoichiometry PH{sub k} are analyzed. The properties of the initial substance, namely, diphosphine are calculated. In contrast to phosphorus hydrides with stoichiometry PH{sub 3}, a quasi-two-dimensional phosphorus-stabilized lattice of metallic hydrogen can be formed in this substance during hydrostatic compression at a high pressure. The formed structure with H–P–H elements is shown to be locally stable in phonon spectrum, i.e., to be metastable. The properties of diphosphine are compared with the properties of similar structures of sulfur hydrides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Root and Rhizosphere Bacterial Phosphatase Activity Varies with Tree Species and Soil Phosphorus Availability in Puerto Rico Tropical Forest

Climatic conditions in tropical forests combined with the immobility of phosphorus due to sorption on mineral surfaces or result in soils typically lacking in the form of phosphorus (orthophosphate) most easily metabolized by plants and microbes. In these soils, mineralization of organic phosphorus can be the major source for labile inorganic P available for uptake. Both plants and microbes encode for phosphatase enzymes capable of mineralizing a range of organic phosphorus compounds. However, the activity of these enzymes depends on several edaphic factors including P availability and tree or microbial species. Thus, phosphatase activity in both roots and the root microbial community constitute an important role in P mineralization and P nutrient dynamics that are not well studied in tropical forests. We measured phosphatase activity in roots and bacterial isolates from the microbial community of six tree species from three forest sites differing in phosphorus availability in the Luquillo Mountains of Puerto Rico. Root and microbial phosphatase activity were both influenced by tree identity and soil phosphorus availability. However, tree identity had a larger effect on phosphatase activity (effect size = 0.12) than soil phosphorus availability (effect size = 0.07). In addition, lower amounts of P availability corresponded with higher levels of enzyme activity. In contrast, ANOSIM analysis of the weighted UniFrac distance matrix indicates that microbial community composition was more strongly controlled by soil P availability (P value < 0.05). These results indicate that root and rhizosphere microbial phosphatase activity are similarly expressed despite the slightly stronger influence of tree identity on root function and the stronger influence of P availability on microbial community composition. The low levels of orthophosphate in tropical forests, rather than prohibiting growth, have encouraged a variety of functions to adapt to minimal levels of an essential nutrient. Phosphatase activity is one such mechanism that varies in both roots and microbial community members. A thorough understanding of phosphatase activity provides insight into P mineralization in tropical forests, providing not only perspective on ecosystem function of tropical trees and microbial communities, but also in advancing efforts to improve representations of tropical forests in future climates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Phosphorus replenishment to improve the contact resistivity of light-induced Al contacts on Si solar cells

A method to repair laser-induced phosphorus loss from the n-type emitter of Si solar cells during light-induced Al plating is demonstrated. The ability to add a water-reactive phosphorus compound, PCl 5 , into the Al plating bath gives a unique advantage to Al over Cu for front contacts on Si solar cells. The contact resistivity between light-induced Al and Si emitter is reduced to as low as 0.1 mΩ-cm 2 . Cyclic voltammetry performed on a plating bath composed of 81 wt% 1-ethyl-3-methylimidazolium tetrachloroaluminate, 19 wt% AlCl 3 , and 0.2 wt% PCl 5 reveals multiple reduction reactions of PCl 5 , although incomplete decomposition of PCl 5 is possible. A decrease in nucleation loop size during cyclic voltammetry is also observed suggesting that PCl 5 , while being consumed, modifies the growth mechanism during Al plating. Structural analysis confirms that the addition of PCl 5 produces an Al film which is levelized and compact. Here, a pulsed voltage profile coupled with chemical analysis verifies that phosphorus incorporation is electrolytically activated and is likely the cause for the low contact resistivity.

14 SOLAR ENERGY↗
DOE OSTI2018

Reactions of 3а,6a-diaza-1,4-diphosphapentalene with activated acetylenes

The reaction of cyclohexane-annulated 3 a,6a-diaza-1,4-diphosphapentalene (DDP) with di-tert-butyl acetylenedicarboxylate (DBAD) affords the 1,3-dipolar cycloaddition product of the acetylene moiety to the phosphorus and sp{sup 2}-carbon atoms of DDP in 90% yield. No individual products were isolated in the reaction of DDP with dimethyl acetylenedicarboxylate (DMAD). In the three-component DDP–DMAD–carbazole system (1: 2: 1), a product was generated in 73% yield via successive reactions, including the 1(P),3(C)-dipolar cycloaddition of DMAD to DDP, the addition of the second equivalent of DMAD to the three-coordinate phosphorus atom of the intermediate, and the NH addition of carbazole at the unsaturated C=C bond of the second DMAD moiety. The structures of the reaction products were established by X-ray diffraction.

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

Improving the Fatigue Crack Propagation Resistance and Damage Tolerance of 2524-T3 Alloy with Amorphous Electroless Ni-P Coating

The surface microhardness, as well as the fatigue crack propagation (FCP) resistance of 2524-T3 alloy, is improved by producing a 20-μm-thick amorphous electroless Ni-12% P coating on its surface. Compared to the substrate, this deposited EN coating possesses higher strength properties and exhibits a greater ability of accommodating the plastic deformation at the fatigue crack tip, thereby remarkably improving the FCP resistance in near-threshold and early Paris regimes. Regardless of the similar FCP rates in Paris regime (ΔK ≥ 16.2 MPa m{sup 0.5}), the coated sample exhibits extended Paris regime and enhanced damage tolerance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dynamic Recrystallization and Grain Refinement of Fe-P-C-Si and Fe-P-C-Si-N Steels

Grain refinement is an effective technique to improve the mechanical properties of steels. In the present work, single-pass hot compression experiments have been conducted on two different compositions of high phosphorous steels to study the microstructural evolution and ferrite grain refinement at various strain rates and deformation temperatures, i.e., 0.01-10 s{sup −1} and 750-1050 °C, respectively. Optical metallography has been employed to understand the physical processes that take place during hot deformation process. The results indicate that when these compositions of high phosphorous steels are worked at relatively low temperatures in the intercritical regions, a ferrite grain size of 5-7 µm is obtained. It is observed that the grain size decreases with an increase in strain rate and with the decrease in deformation temperature. Based on the values of stress exponent (n) obtained in the present work, dislocation creep is identified as the deformation mechanism. The activation energies for deformation of these two types of high phosphorous steels have been calculated. The effect of the alloying elements on the stress–strain curve, microstructure, and grain refinement has been discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Synthesis and structural characterization of the Zintl phases Na{sub 3}Ca{sub 3}TrPn{sub 4}, Na{sub 3}Sr{sub 3}TrPn{sub 4}, and Na{sub 3}Eu{sub 3}TrPn{sub 4} (Tr=Al, Ga, In; Pn=P, As, Sb)

15 new quaternary Zintl phases have been synthesized by solid-state reactions from the respective elements, and their structures have been determined by single-crystal X-ray diffraction. Na{sub 3}E{sub 3}TrPn{sub 4} (E=Ca, Sr, Eu; Tr=Al, Ga, In; Pn=P, As, Sb) crystallize in the hexagonal crystal system with the non-centrosymmetric space group P6{sub 3}mc (No. 186). The structure represents a variant of the K{sub 6}HgS{sub 4} structure type (Pearson index hP22) and features [TrPn{sub 4}]{sup 9–} tetrahedral units, surrounded by Na{sup +} and Ca{sup 2+}, Sr{sup 2+}, Eu{sup 2+} cations. The nominal formula rationalization [Na{sup +}]{sub 3}[E{sup 2+}]{sub 3}[TrPn{sub 4}]{sup 9–} follows the octet rule, suggesting closed-shell configurations for all atoms and intrinsic semiconducting behavior. However, structure refinements for several members hint at disorder and mixing of cations that potentially counteract the optimal valence electron count. - Graphical abstract: The hexagonal, non-centrosymmetric structure of Na{sub 3}E{sub 3}TrPn{sub 4} (E=Ca, Sr, Eu; Tr=Al, Ga, In; Pn=P, As, Sb) features [TrPn{sub 4}]{sup 9–} tetrahedral units, surrounded by Na{sup +} and Ca{sup 2+}, Sr{sup 2+}, Eu{sup 2+} cations. - Highlights: • 15 quaternary phosphides, arsenides, and antimonides are synthesized and structurally characterized. • The structure is a variant of the hexagonal K{sub 6}HgS{sub 4}-type, with distinctive pattern for the cations. • Occupational and/or positional disorder of yet unknown origin exists for some members of the series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Temperature dependent electrical transport behavior of InN/GaN heterostructure based Schottky diodes

InN/GaN heterostructure based Schottky diodes were fabricated by plasma-assisted molecular beam epitaxy. The temperature dependent electrical transport properties were carried out for InN/GaN heterostructure. The barrier height and the ideality factor of the Schottky diodes were found to be temperature dependent. The temperature dependence of the barrier height indicates that the Schottky barrier height is inhomogeneous in nature at the heterostructure interface. The higher value of the ideality factor and its temperature dependence suggest that the current transport is primarily dominated by thermionic field emission (TFE) other than thermionic emission (TE). The room temperature barrier height obtained by using TE and TFE models were 1.08 and 1.43 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Detection of miniband formation in strain-balanced InGaAs/GaAsP quantum well solar cells by using a piezoelectric photothermal spectroscopy

To investigate the effect of the miniband formation on the optical absorption spectrum, we adopted two non-destructive methodologies of piezoelectric photothermal (PPT) and photoreflectance (PR) spectroscopies for strain-balanced InGaAs/GaAsP multiple quantum-well (MQW) and superlattice (SL) structures inserted GaAs p-i-n solar cells. Because the barrier widths of the SL sample were very thin, miniband formations caused by coupling the wave functions between adjacent wells were expected. From PR measurements, a critical energy corresponding to the inter-subband transition between first-order electron and hole subbands was estimated for MQW sample, whereas two critical energies corresponding to the mini-Brillouin-zone center (Γ) and edge (π) were obtained for SL sample. The miniband width was calculated to be 19 meV on the basis of the energy difference between Γ and π. This coincided with the value of 16 meV calculated using the simple Kronig–Penney potential models. The obtained PPT spectrum for the SL sample was decomposed into the excitonic absorption and inter-miniband transition components. The latter component was expressed using the arcsine-like signal rise corresponding to the Γ point in the mini-Brillouin zone that was enhanced by the Sommerfeld factor. The usefulness of the PPT methodology for investigating the inserted MQW and/or SL structure inserted solar cells is clearly demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetism of zigzag edge phosphorene nanoribbons

We have investigated, by means of ab initio calculations, the electronic and magnetic structures of zigzag edge phosphorene nanoribbons (ZPNRs) with various widths. The stable magnetic state was found in pristine ZPNRs by allowing the systems to be spin-polarized. The ground state of pristine ZPNRs prefers ferromagnetic order in the same edge but antiferromagnetic order between two opposite edges. The magnetism arises from the dangling bond states as well as edge localized π-orbital states. The presence of a dangling bond is crucial to the formation of the magnetism of ZPNRs. The hydrogenated ZPNRs get nonmagnetic semiconductors with a direct band gap. While, the O-saturated ZPNRs show magnetic ground states due to the weak P-O bond in the ribbon plane between the p{sub z}-orbitals of the edge O and P atoms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Development and application of InAsP/InP quantum well infrared detector

InAs{sub x}P{sub 1-x}/InP quantum wells grown using metal organic vapor phase epitaxy are investigated for infrared detector applications. The structural parameters of the QWs are evaluated from high resolution x-ray diffraction. The electronic transition energies measured from surface photo voltage and photoconductivity confirms that these QWs can be used for fabricating IR detectors in the wide wavelength range, i.e. 0.9–1.46 µm by inter-band transitions and 7–18 µm by inter-sub-band transitions. Subsequently the functionality of one such fabricated InAs{sub x}P{sub 1-x}/InPQW detector is verified by measuring the photoluminescence of suitable semiconductor quantum well structure. At the request of all authors of the paper, and with the agreement of the Proceedings Editor, an updated version of this article was published on 24 June 2016. The original version supplied to AIP Publishing contained an error in the Figures 1 and 2 where the right side of the images were cutoff. The error has been corrected in the updated and re-published article.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Atomic and electronic structure of Pd{sub 40}Ni{sub 40}P{sub 20} bulk metallic glass from ab initio simulations

The atomic structure of Pd{sub 40}Ni{sub 40}P{sub 20} bulk metallic glass has been simulated using an ab initio molecular dynamics method with projector-augmented wave pseudopotentials for electron-ion interaction and generalized gradient approximation for exchange-correlation energy. The calculated extended x-ray absorption fine structure (EXAFS) spectra of Pd-K and Ni-K edges, the mass density, and the electronic structure agree remarkably well with the available experimental data and the EXAFS spectra measured at the SPring-8 synchrotron radiation facility. Our results show that the atomic structure can be described in terms of P-centered polyhedra. There are no two P atoms that are nearest neighbors at this composition, and this could be a reason for the observed optimal P concentration of about 20 at.%. The neighboring polyhedra share metal (M) atoms and form a polar covalently bonded random network of P-M-P favoring certain angles. The remaining M atoms act as metallic glue with a tendency of nanoscale clustering of Pd-Pd and Ni-Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Circular Photocurrent in Weyl Semimetals with Mirror Symmetry

We have considered theoretically Weyl’s semimetals, for which the point symmetry group contains reflection planes and which have equivalent valleys with opposite chiralities. These materials include the most often studied compounds, viz., monopnictides TaAs, NbAs, TaP, NbP of transition metals, as well as Bi{sub 1 ‒} {sub x}Sb{sub x} alloys. Circular photogalvanic current inverting its direction upon the sign reversal of the circular polarization has been calculated for light absorption under direct optical transitions near Weyl points. The total contribution of all valleys to the photocurrent differs from zero beyond the limits of Weyl’s model when the spin-independent tilt linear in wavevector k or spin-dependent terms cubic in k are taken into account additionally in the effective electron Hamiltonian. When the tilt of the energy dispersion curve in a Weyl semimetal of symmetry C{sub 4v} is considered, the photogalvanic current can be expressed in terms of the components of rank-two symmetric tensor determining the energy spectrum of carriers near a Weyl’s node. At low temperatures, this contribution to the photocurrent is excited in a certain limited frequency interval Δ. The photocurrent associated with cubic corrections in the optical absorption region is proportional to the square of light frequency and is generated both within window Δ and beyond its limits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Crystal-Physical Model of Ion Transport in Nonlinear Optical Crystals of KTiOPO{sub 4}

The ionic conductivity along the principal axes a, b, and c of the unit cell of the nonlinear-optical high-resistance KTiOPO{sub 4} single crystals (rhombic syngony, space group Pna2{sub 1}), which are as-grown and after thermal annealing in vacuum, has been investigated by the method of impedance spectroscopy. The crystals were grown from a solution-melt by the Czochralski method. The as-grown KTiOPO{sub 4} crystals possess a quasi-one-dimensional conductivity along the crystallographic c axis, which is caused by the migration of K{sup +} cations: σ{sub ║c} = 1.0 × 10{sup –5} S/cm at 573 K. Wherein the characteristics of the anisotropy of ionic conductivity of the crystals is equal to σ{sub ║c}/σ{sub ║a}= 3 and σ{sub ║c}/σ{sub ║b}= 24. The thermal annealing at 1000 K for 10 h in vacuum increases the magnitude of σ{sub ║c} of KTiOPO{sub 4} by a factor of 28 and leads to an increase in the ratio σ{sub ║c}/σ{sub ║b}= 2.1 × 10{sup 3} at 573 K. A crystal-physical model of ionic transport in KTiOPO{sub 4} crystals has been proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Stimulated Emission at 1.3-μm Wavelength in Metamorphic InGaAs/InGaAsP Structure with Quantum Wells Grown on Ge/Si(001) Substrate

A laser structure comprising metamorphic InGaAsP layer and InGaAs quantum wells on a non-inclined Si(001) substrate with relaxed Ge buffer layer has been grown for the first time by metal-organic vapor phase epitaxy (MOVPE). The optically pumped lasers exhibit stimulated emission at a wavelength of 1.3 μm. At liquid-nitrogen temperature, the threshold power density of pumping at 0.8 μm amounted to 250 kW/cm{sup 2}.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Algae Production from Wastewater Resources: An Engineering and Cost Analysis

Co-locating algae cultivation ponds near municipal wastewater (MWW) facilities provides the opportunity to make use of the nitrogen and phosphorus compounds in the wastewater as nutrient sources for the algae. This use benefits MWW facilities, the algae biomass and biofuel or bioproduct industry, and the users of streams where treated or untreated waste would be discharged. Nutrient compounds can lead to eutrophication, hypoxia, and adverse effects to some organisms if released downstream. This analysis presents an estimate of the cost savings made possible to cultivation facilities by using the nutrients from wastewater for algae growth rather than purchase of the nutrients. The analysis takes into consideration the cost of pipe transport from the wastewater facility to the algae ponds, a cost factor that has not been publicly documented in the past. The results show that the savings in nutrient costs can support a wastewater transport distance up to 10 miles for a 1000-acre-pond facility, with potential adjustments for different operating assumptions.

09 BIOMASS FUELS↗
DOE OSTI2026

Effects of Media Nutrient Variation on Microalgae Productivity and Economics During Semi-Continuous Cultivation

The development of large-scale microalgae growth for biofuel production is currently limited by the cost of biomass production. However, new approaches to infrastructure and cultivation practices are bringing the field closer to realization. Macronutrients in the cultivation media contribute significant costs, especially since their concentrations have not been optimized for specific strains and conditions. Environmental photobioreactors (ePBRs) were used to simulate cultivation under outdoor conditions, during which the nitrogen and phosphorus levels in the media were varied. The growth of two potential biofuel production strains, Picochlorum celeri and Tetraselmis striata, with varying nutrient inputs during summer and winter scripts, respectively, was studied. This study demonstrated that nitrogen and phosphorus in f/2 media could be reduced by more than 60% from the standard formulation, while maintaining growth rates in a semi-continuous harvesting approach. Experiments comparing the standard and reduced nutrient input concentrations were also conducted for both species in 820 L outdoor raceway ponds, in Mesa, AZ. P. celeri grown in these ponds in October had a growth rate of 10.6 ± 0.7 g/m 2 /day and 10.6 ± 0.3 g/m 2 /day for the standard and low-nutrient P. celeri ponds, respectively. T. striata grown in April–May had a growth rate of 16.6 ± 1.4 g/m 2 /day for the standard nutrient input ponds and 17.4 ± 1.1 g/m 2 /day for the low-nutrient input ponds, and in October 14.5 ± 0.6 g/m 2 /day for standard nutrient ponds and 14.4 ± 0.6 g/m 2 /day for low-nutrient ponds. These outdoor data therefore confirmed the indoor ePBR data. Techno-economic analysis shows that, if high growth rates can be attained at lower nutrient concentrations, a reduction of at least 60% in nutrient costs can be achieved. Such results highlight the importance of managing macronutrient media inputs, as these have a considerable contribution to biomass production costs in large-scale facilities. The analysis also points to the importance of maintaining high spent medium recycling rates in an industrial deployment, so as to minimize the losses of nitrogen and phosphorus compounds.

09 BIOMASS FUELS↗