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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Erbium-doped aluminophosphosilicate optical fibres

We have studied the active properties of erbium-doped aluminophosphosilicate (APS) core fibres in wide ranges of erbia, alumina and phosphorus pentoxide concentrations. The absorption and luminescence spectra of the P{sub 2}O{sub 5}- or Al{sub 2}O{sub 3}-enriched erbium-doped APS fibres are shown to be similar to those of the erbium-doped fibres singly doped with phosphorus pentoxide or alumina, respectively. The formation of AlPO{sub 4} in APS fibres leads not only to a reduction in the refractive index of the glass but also to a marked increase in Er{sub 2}O{sub 3} solubility in silica. (optical fibres)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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

Distribution of P{sub 2}O{sub 5} and Na{sub 2}O Between Solid Solution and Liquid Phase in the CaO-SiO{sub 2}-Fe{sub 2}O{sub 3}-P{sub 2}O{sub 5}-Na{sub 2}O Slag System with High P{sub 2}O{sub 5} Content

The phosphorus content in hot metal will increase in future, because iron ores are steadily deteriorating in quality. Na{sub 2}O addition to slag is considered an effective method for increasing the efficiency of dephosphorization. In addition, Na{sub 2}O modification also facilitates phosphorus recovery from dephosphorization slag with high P{sub 2}O{sub 5} content by selective leaching. Therefore, it is necessary to investigate the distribution ratios of P{sub 2}O{sub 5} and Na{sub 2}O between solid solution and liquid phase in the CaO-SiO{sub 2}-Fe{sub 2}O{sub 3}-P{sub 2}O{sub 5}-Na{sub 2}O slag system. A linear relationship was found between the distribution ratio of P{sub 2}O{sub 5} and the Na{sub 2}O content in slag, and was independent of P{sub 2}O{sub 5} content. When the Na{sub 2}O content was high, the Na{sub 2}O content in the solid solution approached saturation and a new 2CaO·SiO{sub 2}-2CaO·Na{sub 2}O·P{sub 2}O{sub 5} solid solution formed. The addition of Na{sub 2}O decreased the P{sub 2}O{sub 5} content in solid solution, while it increased the mass fraction of solid solution in slag. The distribution ratio of P{sub 2}O{sub 5} increased with increase in the Fe{sub 2}O{sub 3} content and basicity of slag. An increase in P{sub 2}O{sub 5} content in slag results in an increase in the activity coefficient of P{sub 2}O{sub 5} both in the liquid phase and in the solid solution.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Metal-rich phosphides RE{sub 5}Ir{sub 19}P{sub 12} with Sc{sub 5}Co{sub 19}P{sub 12} type structure

The iridium-rich phosphides RE{sub 5}Ir{sub 19}P{sub 12} (RE=Sc, Y, La-Nd, Sm-Lu) with Sc{sub 5}Co{sub 19}P{sub 12} type structure, space group P62-bar m were synthesized by solid state reactions of the elements in tantalum crucibles. Well shaped single crystals were obtained in bismuth fluxes. All phosphides were characterized on the basis of X-ray powder data. The structures of RE{sub 5}Ir{sub 19}P{sub 12} with RE=Sc, La, Ce, Dy, Er, Tm, and Yb were refined from single crystal diffractometer data. The complex structure of these phosphides can be described by an intergrowth of simpler ThCr{sub 2}Si{sub 2} and SrPtSb related slabs. Striking structural motifs of the RE{sub 5}Ir{sub 19}P{sub 12} structures are slightly distorted tricapped trigonal prisms of the metal atoms around the phosphorus atoms. The iridium and phosphorus atoms build up three-dimensional [Ir{sub 19}P{sub 12}] polyanionic networks (230-286 pm Ir-P and 282-296 pm Ir-Ir in La{sub 5}Ir{sub 19}P{sub 12}) which leave cavities of coordination numbers 16 and 15 for the rare earth atoms. - Graphical Abstract: The intergrowth structure La{sub 5}Ir{sub 19}P{sub 12}. Highlights: > Metal flux syntheses of intermetallic compounds. > Synthesis and structure of new phosphides RE{sub 5}Ir{sub 19}P{sub 12}. > Crystal chemistry of metal-rich phosphides. > Description of the RE{sub 5}Ir{sub 19}P{sub 12} structure as an intergrowth variant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

2D {sup 31}P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP{sub 7}

Phase pure polycrystalline PbP{sub 7} was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published {sup 31}P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the {sup 31}P chemical shift and structural parameters. PbP{sub 7} decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP{sub 7} as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s{sup 2} lone pairs in the electron localization function ELF. - Graphical abstract: Coordination of the lead atoms in PbP{sub 7}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Comparison of different procedures to stabilize biogas formation after process failure in a thermophilic waste digestion system: Influence of aggregate formation on process stability

Highlights: Black-Right-Pointing-Pointer Mechanism of process recovery with calcium oxide. Black-Right-Pointing-Pointer Formation of insoluble calcium salts with long chain fatty acids and phosphate. Black-Right-Pointing-Pointer Adsorption of VFAs by the precipitates resulting in the formation of aggregates. Black-Right-Pointing-Pointer Acid uptake and phosphate release by the phosphate-accumulating organisms. Black-Right-Pointing-Pointer Microbial degradation of volatile fatty acids in the aggregates. - Abstract: Following a process failure in a full-scale biogas reactor, different counter measures were undertaken to stabilize the process of biogas formation, including the reduction of the organic loading rate, the addition of sodium hydroxide (NaOH), and the introduction of calcium oxide (CaO). Corresponding to the results of the process recovery in the full-scale digester, laboratory experiments showed that CaO was more capable of stabilizing the process than NaOH. While both additives were able to raise the pH to a neutral milieu (pH > 7.0), the formation of aggregates was observed particularly when CaO was used as the additive. Scanning electron microscopy investigations revealed calcium phosphate compounds in the core of the aggregates. Phosphate seemed to be released by phosphorus-accumulating organisms, when volatile fatty acids accumulated. The calcium, which was charged by the CaO addition, formed insoluble salts with long chain fatty acids, and caused the precipitation of calcium phosphate compounds. These aggregates were surrounded by a white layer of carbon rich organic matter, probably consisting of volatile fatty acids. Thus, during the process recovery with CaO, the decrease in the amount of accumulated acids in the liquid phase was likely enabled by (1) the formation of insoluble calcium salts with long chain fatty acids, (2) the adsorption of volatile fatty acids by the precipitates, (3) the acid uptake by phosphorus-accumulating organisms and (4) the degradation of volatile fatty acids in the aggregates. Furthermore, this mechanism enabled a stable process performance after re-activation of biogas production. In contrast, during the counter measure with NaOH aggregate formation was only minor resulting in a rapid process failure subsequent the increase of the organic loading rate.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2010

Cluster Generation Under Pulsed Laser Ablation Of Compound Semiconductors

A comparative experimental study of pulsed laser ablation in vacuum of two binary semiconductors, zinc oxide and indium phosphide, has been performed using IR- and visible laser pulses with particular attention to cluster generation. Neutral and cationic Zn{sub n}O{sub m} and In{sub n}P{sub m} particles of various stoichiometry have been produced and investigated by time-of-flight mass spectrometry. At ZnO ablation, large cationic (n>9) and all neutral clusters are mainly stoichiometric in the ablation plume. In contrast, indium phosphide clusters are strongly indium-rich with In{sub 4}P being a magic cluster. Analysis of the plume composition upon laser exposure has revealed congruent vaporization of ZnO and a disproportionate loss of phosphorus by the irradiated InP surface. Plume expansion conditions under ZnO ablation are shown to be favorable for stoichiometric cluster formation. A delayed vaporization of phosphorus under InP ablation has been observed that results in generation of off-stoichiometric clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Optimization of a plasma immersion ion implantation process for shallow junctions in silicon

A plasma immersion ion implantation (PIII) process has been developed for realizing shallow doping profiles of phosphorus and boron in silicon using an in-house built dual chamber cluster tool. High Si etch rates observed in a 5% PH{sub 3} in H{sub 2} plasma have been ascribed to high concentration of H(α) radicals. Therefore, subsequent work was carried out with 5% PH{sub 3} in He, leading to much smaller etch rates. By optical emission spectroscopy, the radical species H(α), PH*{sub 2}, and PH* have been identified. The concentration of all three species increased with pressure. Also, ion concentrations increased with pressure as evidenced by Langmuir data, with a maximum occurring at 0.12 mbar. The duty cycle of pulsed DC bias has a significant bearing on both the implantation and the etching process as it controls the leakage of positive charge collected at the surface of the silicon wafer during pulse on-time generated primarily due to secondary electron emission. The P implant process was optimized for a duty cycle of 10% or less at a pressure of 0.12 mbar with implant times as low as 30 s. Secondary ion mass spectroscopy showed a P dopant depth of 145 nm after rapid thermal annealing (RTA) at 950 °C for 5 s, resulting in a sheet resistance of 77 Ω/◻. Si n{sup +}/p diodes fabricated with phosphorus implantation using optimized PIII and RTA conditions exhibit J{sub on}/J{sub off} > 10{sup 6} with an ideality factor of nearly 1.2. Using similar conditions, shallow doping profiles of B in silicon have also been realized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Ab initio calculations of the electronic structure of silicon nanocrystals doped with shallow donors (Li, P)

The results of ab initio calculations of the electronic structure of Si nanocrystals doped with shallow donors (Li, P) are reported. It is shown that phosphorus introduces much more significant distortions into the electronic structure of the nanocrystal than lithium, which is due to the stronger central cell potential of the phosphorus ion. It is found that the Li-induced splitting of the ground state in the conduction band of the nanocrystal into the singlet, doublet, and triplet retains its inverse structure typical for bulk silicon.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Combined Nitrogen and Phosphorous Recovery via Electrochemical Technology Integration into Municipal Wastewater Treatment Plants

This project developed electroN-P, an electrochemical technology for recovering nitrogen and phosphorus as a fertilizer product from anaerobic digester centrate, targeting an advancement from TRL 4 to 6. The reactor was scaled 220× from a 250 mL batch cell to a continuous 4-channel system treating 55 L of wastewater, recovering >80% of phosphorus. Energy consumption under constant-voltage operation was lower than the embedded energy of conventional fertilizers, while constant-current operation produced a cost-competitive product with a smaller reactor footprint. TEA and LCA outcomes were highly sensitive to the magnesium source; alternative magnesium salt configurations projected reduced costs and embedded energy compared to sacrificial rods, but at the expense of significantly longer operation times. The recovered fertilizer performed comparably to diammonium phosphate and triple superphosphate in soil and plant trials. Integrating the technology into a whole-plant model reduced aeration energy by nearly 50%, lowering the levelized cost of water treatment from $0.668/m 3 to $0.648/m 3 . Results support targeting commercialization at smaller (≤1 MGD) facilities with high-strength digester streams. Further investigation into the transport and corrosion kinetics governing sacrificial anode wear is recommended to support continuous, longer-term operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Walker Branch Watershed: Weekly Stream Water Chemistry

This data set reports weekly stream water chemistry in the West and East Forks of Walker Branch Watershed (WBW). The long-term Walker Branch stream chemistry monitoring is intended to provide data on watershed output of chemicals via streamflow and long-term changes in stream chemical composition. This data set contains two data files of stream water chemistry collected at weekly time intervals from 1989 through 2013. Weekly sampling of stream water started in 1989 in the West Fork and in 1995 in the East Fork. Measured parameters include water level at the weir and stream discharge, water temperature, specific conductivity, pH, alkalinity, and dissolved organic carbon (DOC), soluble reactive phosphorus (SRP), total dissolved phosphorus (TDP), ammonium-N, nitrate+nitrite-N, total dissolved nitrogen (TDN), anion (chloride and sulfate), and cation and trace metal (calcium, magnesium, sodium, potassium, iron, manganese, silicon, aluminum, barium, cadmium, nickel, lead, strontium, zinc, copper, molybdenum) concentrations. The Walker Branch Watershed is located on the U.S. Department of Energy's Oak Ridge Reservation in eastern Tennessee.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Study of {sup 31}P(n,α){sup 28}Al reaction using d(d,n){sup 3}He for the possible interference with {sup 27}Al(n,γ){sup 28}Al - Paper 44

At McMaster we use neutrons from the {sup 7}Li(p,n){sup 7}Be reaction to measure aluminum in human subjects via the {sup 27}Al(n,γ){sup 28}Al reaction. We use proton energies of between 1.9 MeV and 2.3 MeV, yielding maximum neutron energy of 0.575 MeV. In principle, {sup 28}Al can also be produced via the {sup 31}P(n,α){sup 28}Al reaction, which has a neutron energy threshold of 2.008 MeV. When aluminum is measured in bone, there can be 10{sup 5} times the mass of phosphorus present as there is aluminum. However, this potential interference cannot arise using the {sup 7}Li(p,n){sup 7}Be reaction in the proton energy range specified. Collaborators at Atomic Energy of Canada Limited (AECL), Chalk River, Purdue University in the USA and Shanxi Medical University in Taiyuan, China are also interested in being able to measure aluminum in bone in living human subjects. Both AECL and Purdue have acquired D-D sets (accelerators producing neutrons via the d(d,n){sup 3}He reaction). These operate at high current (∼mA) and relatively low accelerating voltage (150 kV), relying on quantum mechanical tunneling through the Coulomb barrier. These D-D sets produce neutrons of energy 2.565 MeV. This is above the threshold for the {sup 31}P(n,α){sup 28}Al reaction, but we have not been able to find any report in which this reaction has had a cross section measurably greater than zero for neutron energies of less than 3 MeV. So, it is an open question as to whether the potential interfering reaction with phosphorus is a concern when using neutrons from a D-D set to measure aluminum in bone. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2012

Multimetric spatial optimization of switchgrass plantings across a watershed

The increasing demand for bioenergy crops presents our society with the opportunity to design more sustainable landscapes. We have created a Biomass Location for Optimal Sustainability Model (BLOSM) to test the hypothesis that landscape design of cellulosic bioenergy crop plantings may simultaneously improve water quality (i.e., decrease concentrations of sediment, total phosphorus, and total nitrogen) and increase profits for farmer-producers while achieving a feedstock-production goal. BLOSM was run using six scenarios to identify switchgrass (Panicum virgatum) planting locations that might supply a commercial-scale biorefinery planned for the Lower Little Tennessee (LLT) watershed. Each scenario sought to achieve different sustainability goals: improving water quality through reduced nitrogen, phosphorus, or sediment concentrations; maximizing profit; a balance of these conditions; or a balance of these conditions with the additional constraint of converting no more than 25% of agricultural land. Scenario results were compared to a baseline case of no land-use conversion. BLOSM results indicate that a combined economic and environmental optimization approach can achieve multiple objectives simultaneously when a small proportion (1.3%) of the LLT watershed is planted with perennial switchgrass. The multimetric optimization approach described here can be used as a research tool to consider bioenergy plantings for other feedstocks, sustainability criteria, and regions.

09 BIOMASS FUELS↗
DOE OSTI2018

Improving the Lubricity of Extended Reach Well Drilling Equipment Using Non-Fluorescent Extreme Pressure Cationic Lubricants

In this study, non-fluorescent cationic extreme pressure lubricant JDLUB-1 was prepared to improve the lubricity for extended reach well drilling. The lubricant was mainly composed of synthetic base oil, oil-soluble and spherical nano-silica, sulfur-phosphorus-molybdenum anti-friction and anti-extreme pressure additives. The mixture was emulsified with primary emulsifier cycloalkane group condensed fatty amines and a fatty alcohol polyoxyethylene ether co-emulsifier. The fluorescence level did not exceed 4, satisfying the standard requirements. The properties including extreme pressure lubrication, temperature resistance and compatibility with conventional drilling fluid additives were evaluated. The results indicated that the extreme pressure lubricity coefficient could reach 0.0283 after addition of JDLUB-1. Meanwhile, the product was stable at high temperature of 130 °C, and compatible with common additives. The lubricity mechanism of JDLUB-1 was investigated by measuring the zeta potential, particle size distribution, adsorption, and anti-wear evaluation at extreme pressure. The results indicated that the positively charged lubricant oil droplets could be actively adsorbed onto the surface of N80 steel casing coupon. An adsorption film composed of oil soluble and spherical nano-silica and sulfur-phosphorus-molybdenum compounds was formed with a low melting point and low shear strength. During friction, the formation of molybdenum disulfide film leads to repair of the metal surface and formation of a stable sliding friction between the drill string and the wellbore with a low friction coefficient. The JDLUB-1 lubricant was successfully applied in several high-angle deviated wells and extended reach wells in Jidong oilfield (China). The results demonstrated that JDLUB-1 could effectively reduce torque and drag and show potential field application in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Novel representatives of 16-membered aminomethylphosphines with alkyl substituents at nitrogen and their gold(I) complexes

Novel 1,9-diaza-3,7,11,15-tetraphosphacyclohexadecanes with alkyl, arylalkyl, or heteroarylalkyl substituents at the endocyclic nitrogen atoms were synthesized by condensation of 1,3-bis(phenylphosphino)propane, formaldehyde, and primary amines. The reactions are stereoselective and result in the isomer with the RSSR configuration of the phosphorus atoms as the major product. The 16-membered tetrakis(phosphine) ligands form stable neutral tetranuclear complexes with gold(I). In these complexes, the 16-membered cyclic ligands retain their free-state conformations and the configuration of the chiral phosphorus atoms.

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

The composition and performance of alite-ye'elimite clinker produced at 1300 °C

Alite-ye'elimite clinker is a high cementing clinker prepared by introducing calcium sulfoaluminate, a non-silicate mineral, into the cement clinker. The mineral composition and mechanics of tricalcium silicate-rich sulfur aluminate prepared at 1300 °C are reported. The effects of copper slag and phosphorus slag on the phase composition, heat release and compressive strength were investigated. The phase composition was analysed by X-ray powder diffraction. The results show that the copper slag and phosphorus slag can lower the burn temperature of the clinker and promote the coexistence of C{sub 3}S and C{sub 4}A{sub 3} S-bar . The quality of clinker produced at 1300 °C is satisfactory. The compressive strength of mortar curing at 28 d is higher than that of P·II 52.5.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Performance of solid oxide fuel cells operated with coal syngas provided directly from a gasification process

Solid oxide fuel cells (SOFCs) are presently being developed for gasification integrated power plants that generate electricity from coal at 50+% efficiency. The interaction of trace metals in coal syngas with the Ni-based SOFC anodes is being investigated through thermodynamic analyses and in laboratory experiments, but direct test data from coal syngas exposure are sparsely available. This research effort evaluates the significance of SOFC performance losses associated with exposure of a SOFC anode to direct coal syngas. SOFC specimen of industrially relevant composition are operated in a unique mobile test skid that was deployed to the research gasifier at the National Carbon Capture Center (NCCC) in Wilsonville, AL. The mobile test skid interfaces with a gasifier slipstream to deliver hot syngas (up to 300°C) directly to a parallel array of 12 button cell specimen, each of which possesses an active area of approximately 2 cm2. During the 500 hour test period, all twelve cells were monitored for performance at four discrete operating current densities, and all cells maintained contact with a data acquisition system. Of these twelve, nine demonstrated good performance throughout the test, while three of the cells were partially compromised. Degradation associated with the properly functioning cells was attributed to syngas exposure and trace material attack on the anode structure that was accelerated at increasing current densities. Cells that were operated at 0 and 125 mA/cm² degraded at 9.1 and 10.7% per 1000 hours, respectively, while cells operated at 250 and 375 mA/cm² degraded at 18.9 and 16.2% per 1000 hours, respectively. Post-trial spectroscopic analysis of the anodes showed carbon, sulfur, and phosphorus deposits; no secondary Ni-metal phases were found.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2013

Ab initio investigations of the electronic structures and chemical bonding in LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}

The electronic structures of the metal-rich phosphides LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7} were studied by DFT calculations. Both phosphides consist of three-dimensional [Co{sub 6}P{sub 4}] and [Co{sub 12}P{sub 7}] polyanionic networks which leave hexagonal channels for the lithium atoms. COOP data show strong Co–P and Co–Co bonding within the polyanions. The lithium atoms have trigonal prismatic phosphorus coordination. Total energy calculations indicate stability upon de-lithiation towards the Co{sub 6}P{sub 4} and Co{sub 12}P{sub 7} substructures - Graphical abstract: The cobalt–phosphorus networks in LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}. - Highlights: • Chemical bonding resolved in the metal-rich phosphides LiCo{sub 6}P{sub 4} and Li{sub 2}Co{sub 12}P{sub 7}. • Strong covalent Co–P bonding character in the [Co{sub 6}P{sub 4}] and [Co{sub 12}P{sub 7}] substructures. • Total energy calculations indicate stability of the de-lithiated substructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗