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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Investigation of Americium-Containing Phosphates, Silicates, Borates, Molybdates, and Fluorides Synthesized via High-Temperature Flux Crystal Growth

The crystal chemistry of americium-containing extended structures was investigated, and several classes of americium-containing solid-state oxide materials were obtained in single-crystal form via high-temperature flux crystal growth. This enabled the structural characterization of rare examples of ternary, quaternary, and penternary americium-containing silicates K 3 Am (Si 2 O 7 ) and Cs 6 Am 2 Si 21 O 48 , phosphates Na 3 Am (PO 4 ) 2 and K 3 Am (PO 4 ) 2 , borates Ba 3 Am 2 (BO 3 ) 4 and AmBO 3 , borate halides Ca 5 Am(BO 3 ) 4 Cl, molybdates Li 0.5 Am 0.5 MoO 4 , and fluorides CsAm 2 F 7 . Using these crystallographic data, the ionic radii of Am 3+ with coordination numbers of six (0.975 Å), seven (1.052 Å), and nine (1.162 Å) were established. A maximum entropy method (MEM) analysis was performed on the single-crystal X-ray diffraction data that were collected for K 3 Nd(PO 4 ) 2 /K 3 Am(PO 4 ) 2 , K 3 NdSi 2 O 7 /K 3 AmSi 2 O 7 , and NdBO 3 /AmBO 3 , to qualitatively compare the ionicities of the Nd–O and Am–O bonds. In conclusion, Raman spectroscopy data were collected on single crystals of K 3 Am(PO 4 ) 2 and compared to the calculated Raman spectrum of K 3 Am(PO 4 ) 2 obtained from DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Rare earth separations by selective borate crystallization

Lanthanides possess similar chemical properties rendering their separation from one another a challenge of fundamental chemical and global importance given their incorporation into many advanced technologies. New separation strategies combining green chemistry with low cost and high efficiency remain highly desirable. We demonstrate that the subtle bonding differences among trivalent lanthanides can be amplified during the crystallization of borates, providing chemical recognition of specific lanthanides that originates from Ln 3+ coordination alterations, borate polymerization diversity and soft ligand coordination selectivity. Six distinct phases are obtained under identical reaction conditions across lanthanide series, further leading to an efficient and cost-effective separation strategy via selective crystallization. As proof of concept, Nd/Sm and Nd/Dy are used as binary models to demonstrate solid/aqueous and solid/solid separation processes. Controlling the reaction kinetics gives rise to enhanced separation efficiency of Nd/Sm system and a one-step quantitative separation of Nd/Dy with the aid of selective density-based flotation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Bis(fluoromalonato)borate (BFMB) anion based ionic liquid as an additive for lithium-ion battery electrolytes

Propylene carbonate (PC) is a good solvent for lithium ion battery applications due to its low melting point and high dielectric constant. But, PC is easily intercalated into graphite causing it to exfoliate, killing its electrochemical performance. We report on the synthesis of a new ionic liquid electrolyte based on partially fluorinated borate anion, 1-butyl-1,2-dimethylimidazolium bis(fluoromalonato)borate (BDMIm.BFMB), which can be used as an additive in 1 M LiPF6/PC electrolyte to suppress graphite exfoliation and improve cycling performance. Additionally, both PC and BDMIm.BFMB can be used synergistically as additive to 1.0M LiPF6/methyl isopropyl sulfone (MIPS) to dramatically improve its cycling performance. It is also found that the chemistry nature of the ionic liquids has dramatic effect on their role as additive in PC based electrolyte.

25 ENERGY STORAGE↗
DOE OSTI2023

Tris(carbene)borates; alternatives to cyclopentadienyls in organolanthanide chemistry

The chemistry of the tris-carbene anion phenyltris(3-alkyl-imidazoline-2-yliden-1-yl)borate, [C3 Me ] - ligand, is initiated for f-block metal cations. Neutral, molecular complexes of the form Ln(C3) 2 I are formed for cerium(III), while a separated ion pair [Ln(C3) 2 ]I forms for ytterbium(III). DFT/QTAIM computational analyses of the complexes and related tridentate tris(pyrazolyl)borate (Tp) – supported analogs demonstrates the anticipated strength of the σ donation and confirms greater covalency in the metal–carbon bonds of the [C3 Me ] - complexes in comparison with those in the Tp Me,Me complexes. The DFT calculations demonstrate the crucial role of THF solvent in accurately reproducing the contrasting molecular and ion-pair geometries observed experimentally for the Ce and Yb complexes.

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

A study of physical and optical absorption spectra of VO{sup 2+} ions in potassium and sodium oxide borate glasses

Spectroscopic and physical properties of V{sub 2}O{sub 5} doped mixed alkali borate glasses are investigated. Borate glasses containing fixed concentrations of alkaline earth oxides (MgO and BaO) and alkali oxides (K{sub 2}O and Na{sub 2}O) were changes and are prepared by melt quenching technique. The values of r{sub i}, r{sub p}, R{sub m}, α{sub m} molar volume and Λ{sub th} increase and oxygen packing density, density and dopant ion concentration decrease with increasing of K{sub 2}O content. As a result there shall be an increase in the disorder of the glass network. The optical band gap energies, Urbach energy, boron-boron separation,refractive index, dielectric constant, electronic polarizability and reflection loss values are varies nonlinearly with the K{sub 2}O content which manifests the mixed alkali effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Chemical Modeling of ATR Fuel in DOE Standard Canisters with Borated Stainless Steel Corrosion

Road-ready and final disposition packaging configurations for the ATR fuel dictates storage within helium backfilled sealed DOE standard canisters. The packaging configuration for the DOE canisters places 10 ATR elements within a Type 1a basket, and three baskets are loaded within each DOE canister. In order to provide a criticality control mechanism, these stainless baskets are proposed to be built with 1-2 weight percentage of boron. This report seeks to identify effects of corrosion of this basket material over time. The primary reaction found through surveying literature was the oxidation of the iron in steel by water to produce some hydrogen. This reaction was built into the previous chemical model of the DOE canister to assess additional hydrogen and pressure build up over time. Literature for non-borated stainless steel, and carbon steel has shown that irradiation increases the rate of corrosion, and it is assumed a similar effect would occur with borated stainless steel. Due to the wide range of results in literature, and the variation of the corrosion with boron content, a wide range of corrosion rates was tested in the model from 80 nm/yr up to 1800 nm/yr.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1985

The preparation and characterization of a lithium borate glass prepared by the gel technique

The preparation of an amorphous lithium borate gel by the metal organic procedure is described. In addition, a preliminary evaluation of the behavior of the gel upon heating is given. In particular the crystallization tendency of the gel is studied with the aid of DTA and X-ray diffraction, and the structural changes in the gel are monitored with the aid of IR spectroscopy. The glass produced from the lithium borate gel is compared to both the gel precursor material and a glass of similar composition prepared by conventional techniques. Specifically, the relevant water contents, crystallization behavior, and structural features are contrasted.

Weinberg, M. C.↗
NASA NTRS1998

Raman and Infrared Spectroscopy of Yttrium Aluminum Borate Glasses and Glass-ceramics

Raman spectra of glasses and glass-ceramics in the Y2O3-Al2O3-B2O3 system are reported. Glasses with B2O3 contents ranging from 40 to 60 mole percent were prepared by melting 20 g of the appropriate oxide or carbonate powders in alumina crucibles at 1400 C for 45 minutes. Subsequent heat treatments of the glasses at temperatures ranging from 600 to 800 C were performed in order to induce nucleation and crystallization. It was found that Na2CO3 added to the melt served as a nucleating agent and resulted in uniform bulk crystallization. The Raman spectra of the glasses are interpreted primarily in terms of vibrations of boron - oxygen structural groups. Comparison of the Raman spectra of the glass-ceramic samples with spectra of aluminate and borate crystalline materials reveal that these glasses crystallize primarily as yttrium aluminum borate, YAl3(BO3)4.

Bradley, J.↗
DOE OSTI2014

Synthesis and Characterization of Lithium Bis(fluoromalonato)borate (LiBFMB) for Lithium Ion Battery Applications

A new orthochelated salt, lithium bis(monofluoromalonato)borate (LiBFMB), has been synthesized and purified for the first time for application in lithium ion batteries. The presence of fluorine in the borate anion of LiBFMB increases its oxidation potential and also facilitates ion dissociation, as reflected by the ratio of ionic conductivity measured by electrochemical impedance spectroscopy ( exp) and that by ion diffusivity coefficients obtained using pulsed field gradient nuclear magnetic resonance (PFG-NMR) technique ( NMR). Half-cell tests using 5.0 V lithium nickel manganese oxide (LiNi0.5Mn1.5O4) as a cathode and EC/DMC/DEC as a solvent reveals that the impedance of the LiBFMB cell is much larger than those of LiPF6 and LiBOB based cells, which results in lower capacity and poor cycling performance of the former. XPS spectra of the cycled cathode electrode suggest that because of the stability of the LiBFMB salt, the solid electrolyte interphase (SEI) formed on the cathode surface is significantly different from those of LiPF6 and LiBOB based electrolytes, resulting in more solvent decomposition and thicker SEI layer. Initial results also indicate that using high dielectric constant solvent PC alters the surface chemistry, reduces the interfacial impedance, and enhances the performance of LiBFMB based 5.0V cell.

Liao, Chen↗
DOE OSTI2023

Borate salts, polymers and composites

Described herein are borate salts useful as additives, binders, and electrolyte salts for solid state lithium ion batteries. In particular, the borate salts of Formula (I), Formula (II) and Formula (III) as described herein: can be polymerized, or can be bound to an existing polymer, to provide polymeric binders for ceramic solid state electrolytes that are themselves capable of ion transport independent of the ceramic.

Liao, Chen↗
DOE OSTI2023

Radioactive waste repository when contacted by water provides borates that absorb neutrons

A container holds radioactive material. A sub-criticality controller protects the radioactive material from reaching a criticality from contact with the water. The sub-criticality controller includes a metallic composition having at least one metal component and at least one borate component bonded to the at least one metal component. The metallic composition forms borates when the metallic composition contacts the water.

Xiong, Yongliang↗
DOE OSTI2019

Characterization of borate glasses doped with copper oxide for optical application

Borate glasses having the formula x CuO–(50 − x)B{sub 2}O{sub 3}–30Na{sub 2}O–20ZnO where x = 0, 0.2, 0.5, 1, 4 and 7 mol% were investigated. The samples were prepared using the conventional melt-quenching technique. Physical properties were studied such as; X-ray diffraction, FTIR spectra, and UV–visible transmission. The optical basicity, average electro negativity have been estimated. The estimated optical basicity, unlike electron negativity, exhibits an increase with increasing the CuO content. FTIR spectra show that BO{sub 4} ratio decreases with increasing CuO content leading to the formation of non-bridging oxygen’s. Some optical parameters such as the optical band gap, band tail width, crystal field strength and the UV and NIR cut off were determined. The transmission spectrum revealed that the glassy samples containing high content of copper oxide behave as bandpass filters at higher content. The characterized parameters of these filters were found to be highly affected by the addition of CuO. In these glasses the broad absorption band observed at the wavelength 550 nm is characterized by the existence of Cu{sup 2+} ions. The optical absorption and ESR studies suggest that, the Cu-ions exist in the Cu{sup 2+} state and act as modifiers by increasing the degree of disorder in the glass network. Hence, the present system behaves as a bandpass filter in the ultraviolet–visible region.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of doping some lanthanide oxides on optical and radiation shielding properties of cadmium borate glasses

Ce{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Nd{sub 2}O{sub 3} and Sm{sub 2}O{sub 3} doped in the cadmium borate host glass were prepared. Some optical and physical properties such as density, molar volume, optical band gap energy, the width of the band tails (Urbach energy) and radiation shielding properties were measured. In addition, the attenuation parameters, are calculated at different photon energies using the XCOM program and practical before and after irradiation. A correlation between the results from density, UV–Vis and FTIR measurements indicates that CdO plays a role as a network modifier and alter within the atomic structure is attributable to the formation of BO{sub 4} units. The attenuation parameters are calculated at different photon energies using the XCOM program and measured in experiments. These values show that there is a correlation between theoretical and experimental values. Hence, these results indicate that the samples have gamma-ray shielding in this energy range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Antiwear Properties of Binary Ashless Blend of Phosphonium Ionic Liquids and Borate Esters in Partially Formulated Oil (No Zn)

Here, interaction of ionic liquid (IL) and borate esters (SBs) as antiwear (AW) additives with steel surfaces in tribological contacts was examined using blends which contained no prior AW additives but all the other ingredients present in a fully formulated engine oil. In detail, low phosphorus oil blends were prepared by adding trihexyltetradecylphosphonium bis(2-ethylhexyl)phosphate (P_DEHP) at 700ppm phosphorus and 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane or trimethoxyboroxine at 200ppm boron treat rate to a partially formulated oil. The tribological properties of these novel ionic liquid (IL) additive and IL+SB additive mixtures were compared with those of zinc dialkyldithiophosphate (ZDDP) at equal phosphorus levels in the oil blends. Tribological experiments with a reciprocating cylinder on flat contact revealed that both P_DEHP and binary mixtures of P_DEHP+SB offer superior wear protection than ZDDP and the partially formulated oil without AW additives, expressed by a wear reduction of minimum 50%. X-ray absorption near edge structure spectroscopy (XANES) analysis revealed that tribologically formed films are primarily composed of calcium phosphate for oils with AW additives. The interaction of P_DEHP with SB results in additional boron oxide/boric acid and to some extent boron phosphate domains incorporated into the tribofilms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Crystal chemical characterization of mullite-type aluminum borate compounds

Al-rich aluminum borates were prepared by different synthesis routes using various Al/B ratios, characterized by diffraction methods, spectroscopy and prompt gamma activation analysis. The {sup 11}B NMR data show a small amount of BO{sub 4} species in all samples. The chemical analysis indicates a trend in the Al/B ratio instead of a fixed composition. Both methods indicate a solid solution Al{sub 5−x}B{sub 1+x}O{sub 9} where Al is substituted by B in the range of 1–3%. The structure of B-rich Al{sub 4}B{sub 2}O{sub 9} (C2/m, a=1488 pm, b=553 pm, c=1502 pm, ß=90.6°), was re-investigated by electron diffraction methods, showing that structural details vary within a crystallite. In most of the domains the atoms are orderly distributed, showing no signal for the postulated channel oxygen atom O5. The absence of O5 is supported by density functional theory calculations. Other domains show a probable disordered configuration of O5 and O10, indicated by diffuse scattering along the b direction. - Graphical abstract: Projections of three-dimensional electron diffraction space of Al{sub 4}B{sub 2}O{sub 9} along the main directions. - Highlights: • The crystal structure of Al{sub 4}B{sub 2}O{sub 9} was re-evaluated. • Structural details vary among different crystals and inside Al{sub 4}B{sub 2}O{sub 9} crystallites. • Diffuse scattering indicate a probable disordered configuration of O5 and O10. • A solid solution series for Al{sub 5−x}B{sub x}O{sub 9} is indicated by PGAA and NMR spectroscopy. • The presence of BO{sub 4} groups is confirmed by {sup 11}B MAS NMR spectroscopy for Al{sub 5−x}B{sub 1+x}O{sub 9}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Effect of borides on hot deformation behavior and microstructure evolution of powder metallurgy high borated stainless steel

To investigate borides effect on the hot deformation behavior and microstructure evolution of powder metallurgy high borated stainless steel, hot compression tests at the temperatures of 950– 1150 °C and the strain rates of 0.01– 10 s{sup −1} were performed. Flow stress curves indicated that borides increased the material's stress level at low temperature but the strength was sacrificed at temperatures above 1100 °C. A hyperbolic-sine equation was used to characterize the dependence of the flow stress on the deformation temperature and strain rate. The hot deformation activation energy and stress exponent were determined to be 355 kJ/mol and 3.2, respectively. The main factors leading to activation energy and stress exponent of studied steel lower than those of commercial 304 stainless steel were discussed. Processing maps at the strains of 0.1, 0.3, 0.5, and 0.7 showed that flow instability mainly concentrated at 950– 1150 °C and strain rate higher than 0.6 s{sup −1}. Results of microstructure illustrated that dynamic recrystallization was fully completed at both high temperature-low strain rate and low temperature-high strain rate. In the instability region cracks were generated in addition to cavities. Interestingly, borides maintained a preferential orientation resulting from particle rotation during compression. - Highlights: •The decrement of activation energy was affected by boride and boron solution. •The decrease of stress exponent was influenced by composition and Cottrell atmosphere. •Boride represented a preferential orientation caused by particle rotation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spectroscopic studies of Dy3+ doped borate glasses for cool white light generation

Highlights: • BAZN glasses with Dy{sup 3+} ions were prepared using melt quench technique. • Under n-UV excitation the BAZN glasses show white light emission. • Energy transfer through cross-relaxation leads to concentration quenching. • Calculated CIE coordinates are close to the commercial w-LED. • 0.5 mol% of Dy{sup 3+} in these glasses are apt for cool white light generation. - Abstract: The Dy{sup 3+} ions doped Na{sub 2}O-ZnO-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3} (BAZN) glasses with variable doping concentrations were synthesized by melt-quenching technique. The XRD pattern reveals amorphous nature of the as-synthesized glass. The FT-IR spectrum reveals various stretching and bending vibration of aluminates, borate and some other groups. The emission spectra exhibit two intense bands at around 482 nm (blue) and 575 nm (yellow) corresponding to the {sup 4}F{sub 9/2} → {sup 6}H{sub 15/2} and F{sub 9/2} → {sup 6}H{sub 13/2} transitions respectively. The CIE chromaticity coordinates of the as-synthesized glasses are lying in white region and in proximity to the coordinates for white light specified by National Television Standard Committee and commercial phosphor converted white light emitting devices. The decay profile of BAZN glasses showed bi-exponential behavior due to the energy transfer mechanism from excited donor ion to unexcited acceptor ion. The above-mentioned studies show potential of the as-synthesized Dy{sup 3+} doped BAZN glasses in solid state lighting applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spectroscopic studies of Sm3+ ions doped alkaline-earth chloro borate glasses for visible photonic applications

Highlights: • AECB glasses doped with Sm{sup 3+} ions were synthesized by melt quenching technique. • Bonding parameters reveal bonding nature between Sm-Oxygen as ionic. • Energy transfer leads to shrink in experimental decay times of Sm{sup 3+} ions. • AECB{sub 0}.5Sm glass is apt for designing reddish orange optoelectronic devices. - Abstract: A new series of Sm{sup 3+} ions doped Alkaline-Earth Chloro Borate (AECB) glasses with compositions (25-x)CaO-5SrO-10BaCl{sub 2}-60B{sub 2}O{sub 3}-xSm{sub 2}O{sub 3} (x = 0.1 mol%–2.5 mol%) were prepared by a conventional melt quenching technique and characterized with XRD, absorption, excitation, photoluminescence (PL) and fluorescence decay spectral measurements. From the absorption spectra, Judd-Ofelt (J-O) intensity parameters (Ω{sub 2}, Ω{sub 4}, Ω{sub 6}) have been measured. The PL spectra under 402 nm excitation show bright reddish-orange emission at 602 nm. The decay spectral profiles of {sup 4}G{sub 5/2} → {sup 6}H{sub 7/2} (602 nm) luminescence transition used to measure experimental lifetimes (τ{sub R}). The Inokuti-Hirayama model used to understand the predominant energy transfer mechanism involved in the prepared glasses. The evaluated emission cross-sections (σ{sub se}), branching ratios (β{sub R}) and quantum efficiency (η) allows us to contemplate that the Sm{sup 3+} ions doped AECB glasses are aptly suitable as potential gain mediums for visible reddish orange lasers pumped directly by commercially available 405 nm laser diodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗