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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Genomic characterization of rare earth binding by Shewanella oneidensis

Abstract Rare earth elements (REE) are essential ingredients of sustainable energy technologies, but separation of individual REE is one of the hardest problems in chemistry today. Biosorption, where molecules adsorb to the surface of biological materials, offers a sustainable alternative to environmentally harmful solvent extractions currently used for separation of rare earth elements (REE). The REE-biosorption capability of some microorganisms allows for REE separations that, under specialized conditions, are already competitive with solvent extractions, suggesting that genetic engineering could allow it to leapfrog existing technologies. To identify targets for genomic improvement we screened 3,373 mutants from the whole genome knockout collection of the known REE-biosorbing microorganism Shewanella oneidensis MR-1. We found 130 genes that increased biosorption of the middle REE europium, and 112 that reduced it. We verified biosorption changes from the screen for a mixed solution of three REE (La, Eu, Yb) using Inductively Coupled Plasma Mass Spectrometry (ICP-MS) in solution conditions with a range of ionic strengths and REE concentrations. We identified 18 gene ontologies and 13 gene operons that make up key systems that affect biosorption. We found, among other things, that disruptions of a key regulatory component of the arc system ( hptA ), which regulates cellular response to anoxic environments and polysaccharide biosynthesis related genes ( wbpQ , wbnJ , SO_3183 ) consistently increase biosorption across all our solution conditions. Our largest total biosorption change comes from our SO_4685 , a capsular polysaccharide (CPS) synthesis gene, disruption of which results in an up to 79% increase in biosorption; and nusA, a transcriptional termination/anti-termination protein, disruption of which results in an up to 35% decrease in biosorption. Knockouts of glnA , pyrD , and SO_3183 produce small but significant increases (≈ 1%) in relative biosorption affinity for ytterbium over lanthanum in multiple solution conditions tested, while many other genes we explored have more complex binding affinity changes. Modeling suggests that while these changes to lanthanide biosorption selectivity are small, they could already reduce the length of repeated enrichment process by up to 27%. This broad exploratory study begins to elucidate how genetics affect REE-biosorption by S. oneidensis , suggests new areas of investigation for better mechanistic understanding of the membrane chemistry involved in REE binding, and offer potential targets for improving biosorption and separation of REE by genetic engineering.

Medin, Sean↗
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 OSTI2023

Solution phase high repetition rate laser pump x-ray probe picosecond hard x-ray spectroscopy at the Stanford Synchrotron Radiation Lightsource

We present a dedicated end-station for solution phase high repetition rate (MHz) picosecond hard x-ray spectroscopy at beamline 15-2 of the Stanford Synchrotron Radiation Lightsource. A high-power ultrafast ytterbium-doped fiber laser is used to photoexcite the samples at a repetition rate of 640 kHz, while the data acquisition operates at the 1.28 MHz repetition rate of the storage ring recording data in an alternating on-off mode. The time-resolved x-ray measurements are enabled via gating the x-ray detectors with the 20 mA/70 ps camshaft bunch of SPEAR3, a mode available during the routine operations of the Stanford Synchrotron Radiation Lightsource. As a benchmark study, aiming to demonstrate the advantageous capabilities of this end-station, we have conducted picosecond Fe K-edge x-ray absorption spectroscopy on aqueous [FeII(phen)3]2+, a prototypical spin crossover complex that undergoes light-induced excited spin state trapping forming an electronic excited state with a 0.6–0.7 ns lifetime. In addition, we report transient Fe Kβ main line and valence-to-core x-ray emission spectra, showing a unique detection sensitivity and an excellent agreement with model spectra and density functional theory calculations, respectively. Notably, the achieved signal-to-noise ratio, the overall performance, and the routine availability of the developed end-station have enabled a systematic time-resolved science program using the monochromatic beam at the Stanford Synchrotron Radiation Lightsource.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Efficient generation and extreme compression of multidimensional solitary states in molecular gas-filled hollow-core fibers driven by picosecond Yb lasers

We present an in-depth study on the impact of spatiotemporal Raman enhancement in molecular gas-filled hollow-core fibers (HCFs), demonstrating the efficient generation and post-compression of multidimensional solitary states (MDSS). Through different experimental scenarios—employing large-core HCFs filled with molecular gases (N 2 and N 2 O) and driven by high energy, sub-picosecond and picosecond Fourier transform-limited ytterbium laser pulses—this work leverages multimode propagation and enhanced spatiotemporal interactions to achieve significant spectral broadening and asymmetric redshift, contrasting sharply with self-phase modulation. Our findings reveal that, beyond the regime of maximum nonadiabatic molecular alignment, spatiotemporal nonlinear enhancement primarily governs spectral broadening for input pulse durations up to 1 ps. The process shows limited sensitivity to input pulse duration and the two investigated molecular gases (N 2 and N 2 O), with only subtle differences in broadening arising from their distinct Raman spectroscopic properties. Furthermore, post-compression of MDSS was achieved in various cases. Notably, using 7 mJ, 1 ps laser pulses, we generated 22 fs pulses with a 47% energy conversion efficiency of the input pulse energy. These results position MDSS as a powerful platform for generating high-energy, ultrashort pulses with tunable wavelengths, offering a robust solution for applications such as high harmonic generation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Soft x-ray high-harmonic generation in an anti-resonant hollow core fiber driven by a 3 μ m ultrafast laser

High-harmonic upconversion driven by a mid-infrared femtosecond laser can generate coherent soft x-ray beams in a tabletop-scale setup. Here, we report on a compact ytterbium-pumped optical parametric chirped pulse amplifier (OPCPA) laser system seeded by an all-fiber front-end and employing periodically poled lithium niobate (PPLN) nonlinear media operated near the pulse fluence limits of current commercially available PPLN crystals. The OPCPA delivers 3 µm wavelength pulses with 775 µJ energy at 1 kHz repetition rate, with transform-limited 120 fs pulse duration, diffraction-limited beam quality, and ultrahigh 0.33% rms energy stability over >18 h. Using this laser, we generate soft x-ray high harmonics (HHG) in argon gas by focusing into a low-loss, high-pressure gas-filled anti-resonant hollow core fiber (ARHCF), generating coherent light at photon energies up to the argon L-edge (250 eV) and carbon K-edge (284 eV), with high beam quality and ∼1% rms energy stability. This work demonstrates soft x-ray HHG in a high-efficiency guided-wave phase matched geometry, overcoming the high losses inherent to mid-IR propagation in unstructured waveguides, or the short interaction lengths of gas cells or jets. The ARHCF can operate in the long term without damage and with the repetition rate, stability, and robustness required for demanding applications in spectromicroscopy and imaging. Finally, we discuss routes for further optimizing the soft x-ray HHG flux by driving He at higher laser intensities using either the signal (1.5 μm) or idler wavelengths (3 μm).

Femtosecond lasers↗
DOE OSTI2020

Beyond integration: modeling every pixel to obtain better structure factors from stills

Most crystallographic data processing methods use pixel integration. In serial femtosecond crystallography (SFX), the intricate interaction between the reciprocal lattice point and the Ewald sphere is integrated out by averaging symmetrically equivalent observations recorded across a large number (10 4 -10 6 ) of exposures. Although sufficient for generating biological insights, this approach converges slowly, and using it to accurately measure anomalous differences has proved difficult. This report presents a novel approach for increasing the accuracy of structure factors obtained from SFX data. A physical model describing all observed pixels is defined to a degree of complexity such that it can decouple the various contributions to the pixel intensities. Model dependencies include lattice orientation, unit-cell dimensions, mosaic structure, incident photon spectra and structure factor amplitudes. Maximum likelihood estimation is used to optimize all model parameters. The application of prior knowledge that structure factor amplitudes are positive quantities is included in the form of a reparameterization. The method is tested using a synthesized SFX dataset of ytterbium(III) lysozyme, where each X-ray laser pulse energy is centered at 9034 eV. This energy is 100 eV above the Yb 3+ L -III absorption edge, so the anomalous difference signal is stable at 10 electrons despite the inherent energy jitter of each femtosecond X-ray laser pulse. This work demonstrates that this approach allows the determination of anomalous structure factors with very high accuracy while requiring an order-of-magnitude fewer shots than conventional integration-based methods would require to achieve similar results.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Steam oxidation and microstructural evolution of rare earth silicate environmental barrier coatings

A primary failure mode for environmental barrier coatings (EBCs) on SiC ceramic matrix composites (CMCs) is the oxidation of the intermediate Si-bond coating, where the formation of SiO 2 at the bond coating–EBC interface results in debonding and spallation. This work compares the microstructure evolution and steam oxidation kinetics of the Si-bond coating beneath yttrium/ytterbium disilicate ((Y/Yb)DS) and ytterbium disilicate/monosilicate (YbDS/YbMS) EBCs to better understand the impact of EBC composition on oxidation kinetics. After 500 1-h cycles at 1350°C, (Y/Yb)DS displayed a decreasing concentration of the monosilicate minor phase and increasing concentration of porosity as furnace cycling time increased, whereas the YbDS/YbMS EBC displayed negligible microstructural evolution. For both EBC systems, thermally grown oxide growth rates in steam were found to increase by approximately an order magnitude compared to dry air oxidation. The (Y/Yb)DS EBC displayed a reduced steam oxidation rate compared to YbDS/YbMS.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Corrosion of Rare-Earth Disilicate Environmental Barrier Coatings in Gas Turbine Environments—Part 2: Microstructure Model

A model for the volatization of ytterbium disilicate (YbDS) by water vapor is developed. The new model is based on the Deal & Grove theory of the thermal oxidation of silicon [1], generalized here to account for the multi-step, second-order chemical reactions for silica depletion, multi-component mixture effects, and the unsteady porous microstructural evolution of the corroded inner zone. With the new model, the fundamental kinetic rate and standard porous media parameters are determined using the atmospheric steam jet impingement experiment of Ridley & Opila [2] and compared to results from the original Deal & Grove model. Fixing the input parameters in each respective model, a validation study (blind prediction) is presented for the high Reynolds number (1 × 105) and high pressure (14.7 atm) burner rig experiment of Wan et al. [3].

Cha, Chong M [Rolls Royce]↗
DOE OSTI2022

Search for rare alpha and double beta decays of Yb isotopes to excited levels of daughter nuclei

A search for alpha and double beta decays of ytterbium isotopes was performed with an ultra low-background high purity germanium detector at Gran Sasso Underground Laboratory (Italy). A 194.7 g Yb 2 (C 2 O 4 ) 3 powder sample was measured for 11.3 days with a total Yb exposure of 1.25 kg×day. Half-life limits for α-decay modes of 168 Yb, 170 Yb, 171 Yb, 172 Yb, 173 Yb, 174 Yb and 176 Yb into the first excited states have been obtained between 6 × 10 14 years and 2 × 10 16 years. These are the first experimental constraints of these decay modes. Double electron capture of 168 Yb and double beta decay of 176 Yb into the first excited 2 + and 0 + states could be excluded with limits between 1 × 10 14 years to 8 × 10 16 years. This improves the experimental information on some of the decay modes compared to previous constraints.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Laser refrigeration of optically levitated sodium yttrium fluoride nanocrystals

Solid state laser refrigeration can cool optically levitated nanocrystals in an optical dipole trap, allowing for internal temperature control by mitigating photothermal heating. This work demonstrates cooling of ytterbium-doped cubic sodium yttrium fluoride nanocrystals to 252 K on average with the most effective crystal cooling to 241 K. The amount of cooling increases linearly with the intensity of the cooling laser and is dependent on the pressure of the gas surrounding the nanocrystal. Furthermore, cooling optically levitated nanocrystals allows for crystals prone to heating to be studied at lower pressures than currently achievable and for temperature control and stabilization of trapped nanocrystals

36 MATERIALS SCIENCE↗
DOE OSTI2022

SCHOTT laser glass [Invited]

Laser glass is a highly engineered optical material that enables the amplification of light in laser systems. It is known for being the heart of the largest laser facilities ever built, where thousands of neodymium-doped meter-sized slabs of laser glass create intense beams of near-infrared laser radiation used to study fusion reactions. Or if doped with ytterbium and erbium, laser glass can be made into millimeter-sized components empowering range-finders and dermatological lasers. Decades of development have poised laser glass for the next challenge on the horizon: amplifying light for sustainable inertial fusion energy power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High repetition-rate pulse shaping of a spectrally broadened Yb femtosecond laser

We demonstrate compression and shaping of few cycle pulses from a high average power ytterbium laser system. The pulses from a commercial 20 W, 100 kHz Yb laser system are spectrally broadened in two-stages using cascaded, gas-filled, stretched hollow-core fibers and then compressed and shaped in an acousto-optic modulator-based pulse-shaper. The pulse-shaper allows for compression, characterization, and shaping all in one system, producing ∼10 fs pulses with 30 μ J of energy.

Codere, Julia↗
DOE OSTI2020

Materials Data on Ba2YbSbO6 by Materials Project

Yb(BaO3)2Sb is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four antimony molecules, four ytterbium molecules, and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.33 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KYb3O6 by Materials Project

YbKYb2O4O2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four water molecules; two ytterbium molecules; and one KYb2O4 sheet oriented in the (0, 0, 1) direction. In the KYb2O4 sheet, K is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All K–O bond lengths are 2.64 Å. Yb is bonded in a linear geometry to two equivalent O atoms. Both Yb–O bond lengths are 2.00 Å. O is bonded in a linear geometry to one K and one Yb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(YbS2)3 by Materials Project

YbRb(YbS2)2(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules; two ytterbium molecules; and one Rb(YbS2)2 sheet oriented in the (0, 0, 1) direction. In the Rb(YbS2)2 sheet, Rb1+ is bonded in a square co-planar geometry to four equivalent S+1.33- atoms. All Rb–S bond lengths are 3.29 Å. Yb+2.33+ is bonded in a linear geometry to two equivalent S+1.33- atoms. Both Yb–S bond lengths are 2.62 Å. S+1.33- is bonded in a 3-coordinate geometry to one Rb1+, one Yb+2.33+, and one S+1.33- atom. The S–S bond length is 2.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Ni19B10 by Materials Project

Yb3Ni19B10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of two ytterbium molecules and one Yb2Ni19B10 framework. In the Yb2Ni19B10 framework, Yb2+ is bonded in a 2-coordinate geometry to six B3- atoms. There are a spread of Yb–B bond distances ranging from 2.78–2.91 Å. There are seven inequivalent Ni+1.26+ sites. In the first Ni+1.26+ site, Ni+1.26+ is bonded in a 4-coordinate geometry to four B3- atoms. There are two shorter (2.03 Å) and two longer (2.12 Å) Ni–B bond lengths. In the second Ni+1.26+ site, Ni+1.26+ is bonded in a distorted rectangular see-saw-like geometry to four B3- atoms. There are two shorter (2.06 Å) and two longer (2.30 Å) Ni–B bond lengths. In the third Ni+1.26+ site, Ni+1.26+ is bonded in a 4-coordinate geometry to four B3- atoms. There are two shorter (2.02 Å) and two longer (2.11 Å) Ni–B bond lengths. In the fourth Ni+1.26+ site, Ni+1.26+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.25 Å. In the fifth Ni+1.26+ site, Ni+1.26+ is bonded to four B3- atoms to form a mixture of distorted edge, face, and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.07–2.12 Å. In the sixth Ni+1.26+ site, Ni+1.26+ is bonded in a distorted T-shaped geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.14 Å. In the seventh Ni+1.26+ site, Ni+1.26+ is bonded to four B3- atoms to form a mixture of distorted edge, face, and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.12–2.33 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Yb2+ and eight Ni+1.26+ atoms. In the second B3- site, B3- is bonded in a 9-coordinate geometry to one Yb2+, seven Ni+1.26+, and one B3- atom. The B–B bond length is 1.82 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Yb2+, six Ni+1.26+, and one B3- atom. The B–B bond length is 2.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb11(Mn2C3)6 by Materials Project

Yb(Yb5(Mn2C3)3)2 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two ytterbium molecules and one Yb5(Mn2C3)3 framework. In the Yb5(Mn2C3)3 framework, there are two inequivalent Yb+2.91+ sites. In the first Yb+2.91+ site, Yb+2.91+ is bonded to six equivalent C+3.11- atoms to form distorted YbC6 pentagonal pyramids that share corners with six equivalent YbC6 pentagonal pyramids and edges with six equivalent YbC8 hexagonal bipyramids. There are three shorter (2.58 Å) and three longer (2.66 Å) Yb–C bond lengths. In the second Yb+2.91+ site, Yb+2.91+ is bonded to eight C+3.11- atoms to form distorted YbC8 hexagonal bipyramids that share edges with two equivalent YbC8 hexagonal bipyramids, edges with four equivalent YbC6 pentagonal pyramids, and faces with four equivalent YbC8 hexagonal bipyramids. There are four shorter (2.55 Å) and four longer (2.63 Å) Yb–C bond lengths. Mn2+ is bonded in a distorted trigonal non-coplanar geometry to three C+3.11- atoms. There is two shorter (1.82 Å) and one longer (2.06 Å) Mn–C bond length. There are two inequivalent C+3.11- sites. In the first C+3.11- site, C+3.11- is bonded in a 7-coordinate geometry to four equivalent Yb+2.91+, two equivalent Mn2+, and one C+3.11- atom. The C–C bond length is 1.36 Å. In the second C+3.11- site, C+3.11- is bonded to four Yb+2.91+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing CYb4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 1–71°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(Sb3Os)4 by Materials Project

YbOs4Sb12 is Upper Bainite-derived structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of two ytterbium molecules and one OsSb3 framework. In the OsSb3 framework, Os2- is bonded to six equivalent Sb+0.50+ atoms to form corner-sharing OsSb6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Os–Sb bond lengths are 2.65 Å. Sb+0.50+ is bonded in a bent 120 degrees geometry to two equivalent Os2- atoms.

36 MATERIALS SCIENCE↗