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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Excited-State Dynamics and Nonlinear Optical Properties of Hyperpolarizable Chromophores Based on Conjugated Bis(terpyridyl)Ru(II) and Palladium and Platinum Porphyrinic Components: Impact of Heavy Metals upon Supermolecular Electro-Optic Properties

A new series of strongly coupled oscillators based upon (porphinato)Pd, (porphinato)Pt, and bis(terpyridyl)-ruthenium(II) building blocks is described. These RuPPd, RuPPt, RuPPdRu, and RuPPtRu chromophores feature bis- (terpyridyl)Ru(II) moieties connected to the (porphinato)metal unit via an ethyne linker that bridges the 4!-terpyridyl and porphyrin macrocycle meso-carbon positions. Pump–probe transient optical data demonstrate sub-picosecond excited singlet-to-triplet-state relaxation. The relaxed lowest-energy triplet (T 1 ) excited states of these chromophores feature absorption manifolds that span the 800–1200 nm spectral region, microsecond triplet-state lifetimes, and large absorptive extinction coefficients [ε(T 1 → T n ) > 4 × 10 4 M –1 cm –1 ]. Dynamic hyperpolarizability (β λ ) values were determined from hyper-Rayleigh light scattering (HRS) measurements carried out at several incident irradiation wavelengths over the 800–1500 nm spectral region. Relative to benchmark RuPZn and RuPZnRu chromophores which showed large βHRS values over the 1200–1600 nm range, RuPPd, RuPPt, RuPPdRu, and RuPPtRu displayed large βHRS values over the 850–1200 nm region. Generalized Thomas–Kuhn sum (TKS) rules and experimental hyperpolarizability values were utilized to determine excited state-to-excited state transition dipole terms from experimental electronic absorption data and thus assessed frequency-dependent β λ values, including two- and three-level contributions for both β zzz and β xzx tensor components to the RuPPd, RuPPt, RuPPdRu, and RuPPtRu hyperpolarizability spectra. Furthermore, these analyses qualitatively rationalize how the βzzz and βxzx tensor elements influence the observed irradiation wavelength-dependent hyperpolarizability magnitudes. The TKS analysis suggests that supermolecules related to RuPPd, RuPPt, RuPPdRu, and RuPPtRu will likely feature intricate dependences of experimentally determined βHRS values as a function of irradiation wavelength that derive from substantial singlet–triplet mixing, and complex interactions among multiple different β tensor components that modulate the long wavelength regime of the nonlinear optical response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A precise electron EDM constraint on CP-odd heavy-quark Yukawas

CP-odd Higgs couplings to bottom and charm quarks arise in many extensions of the standard model and are of potential interest for electroweak baryogenesis. These couplings induce a contribution to the electron EDM. The experimental limit on the latter then leads to a strong bound on the CP-odd Higgs couplings. We point out that this bound receives large QCD corrections, even though it arises from a leptonic observable. We calculate the contribution of CP-odd Higgs couplings to the bottom and charm quarks in renormalisation-group improved perturbation theory at next-to-leading order in the strong interaction, thereby reducing the uncertainty to a few percent.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Evaluation of high-temperature properties of binary, eutectic Ni-X alloys (X = B, Ca, Ce, La, Y, Zr)

We investigated the high-temperature behavior of binary eutectic nickel-base alloys with low-solubility elements, towards developing alloys with new combinations of structural and functional (e.g. thermal or corrosion) properties. Based on thermodynamic screening, we cast binary near-eutectic Ni-B, Ni-Ca, Ni-Ce, Ni-La, Ni-Y, and Ni-Zr alloys and characterized their microstructure and high-temperature properties. All alloys (except Ni-Ca) contain a fine eutectic microstructure, containing submicron alternating lamellae of γ-Ni and continuous intermetallic phases. The eutectic microstructure did not significantly coarsen at 700°C (except for Ni-B), but measurably coarsened in all alloys at 900°C, most quickly in Ni-B, followed by Ni-Ce, Ni-La, Ni-Y, and Ni-Zr. Coarsening in these alloys occurs by fault migration; diffusion within the intermetallic, and its interfacial energy, likely influence coarsening kinetics. At room-temperature, all alloys possess negligible ductility due to the continuous, brittle intermetallic. At 700 and 900°C, the Ni-Zr alloy showed the best combination of strength and ductility. Oxidation experiments at 900°C on Ni-Zr and Ni-Ce revealed heavy internal oxidation of the continuous intermetallic phase. Overall, the Ni-Zr alloy showed good high-temperature coarsening resistance and strength, though ductility and oxidation resistance require improvement for use in structural applications. Possible routes for improving alloy properties via additive manufacturing are discussed.

Ekaputra, Clement [ORNL] (ORCID:0000000307166479)↗
DOE OSTI2024

Robustness of neutron star merger simulations to changes in neutrino transport and neutrino-matter interactions

Binary neutron star mergers play an important role in nuclear astrophysics: Their gravitational wave and electromagnetic signals carry information about the equation of state of cold matter above nuclear saturation density, and they may be one of the main sources of r-process elements in the Universe. Neutrino-matter interactions during and after merger impact the properties of these electromagnetic signals and the relative abundances of the produced r-process elements. Existing merger simulations are, however, limited in their ability to realistically model neutrino transport and neutrino-matter interactions. Here, we perform a comparison of the impact of the use of state-of-the art two-moment or Monte Carlo transport schemes on the outcome of merger simulations, for a single binary neutron star system with a short-lived neutron star remnant [(5–10) ms]. We also investigate the use of different reaction rates in the simulations. While the best transport schemes generally agree well on the qualitative impact of neutrinos on the system, differences in the behavior of the high-density regions can significantly impact the collapse time and the properties of the hot tidal arms in this metastable merger remnant. The chosen interaction rates and transport algorithm as well as recent improvements by Radice et al. to the two-moment algorithms can all contribute to changes at the (10–30)% level in the global properties of the merger remnant and outflows. Furthermore, the limitations of previous moment schemes fixed by Radice et al. also appear sufficient to explain the large difference that we observed in the production of heavy-lepton neutrinos in a previous comparison of Monte Carlo and moment schemes in the context of a low-mass binary neutron star system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Theoretical analysis of the extraction of neutron skin thickness from coherent π 0 photoproduction off nuclei

Background: Coherent π⁢ 0 photoproduction on heavy nuclei has been suggested as a reliable tool to infer neutron skin thicknesses. To this aim, various experiments have been performed, especially on 208 Pb. Purpose: Here, we analyze the sensitivity of that reaction process to the nucleonic density, and especially to the neutron skin thickness, for 12 C, 40 Ca, and 208 Pb, for which reliable data exist, and on 116,124 Sn, for which measurements have been performed in Mainz. We study also the role played by the π 0 -nucleus final-state interaction. Methods: A model of the reaction is developed at the impulse approximation considering either plane waves or distorted waves to describe the π 0 -nucleus scattering in the outgoing channel. Results: Our calculations are in good agreement with existing data, especially for 208 Pb. The sensitivity of the theoretical cross sections to the choice of the nucleonic density is small and below the experimental resolution. Conclusions: Coherent π 0 photoproduction is mostly an isoscalar observable that bares no practical sensitivity to the neutron skin thickness. To infer that structure observable it should be coupled to other reaction measurements, such as electron scattering, or by comparing experiments performed on isotopes of the same chemical element.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Polymer Retention Evaluation in a Heavy Oil Sand for a Polymer Flooding Application on Alaska’s North Slope

For a polymer flooding field trial in a heavy oil reservoir on Alaska’s North Slope, polymer retention is a key parameter. Because of the economic impact of retention, this parameter was extensively studied using field core material and conditions. Several important findings were noted. Polymer retention based on effluent viscosity measurements can be overestimated unless the correct (non-linear) relation between polymer concentration and viscosity is used. Polymer degradation (either mechanical or oxidative) can also lead viscosity-based measurements to overestimate retention. Inaccessible pore volume (IAPV) can be overestimated if insufficient brine is flushed through the sand between polymer banks. Around 100 pore volumes (PV) of brine may be needed to displace mobile polymer to approach a true residual resistance factor and properly measure IAPV. Even for a sand pack with kwsor = 20 mD, IAPV was zero for HPAM with molecular weight (Mw) of 18 million g/mol. Fine-grain particles (<20 μm) strongly impacted polymer retention values. Native NB#1 sand with a significant component of particles <20 μm exhibited 290 μg/g, while the same sand exhibited 28 μg/g after these small particles were removed. Polymer retention did not necessarily correlate with mineral composition. The NB#1, NB#3, and OA sands had similar elemental and clay compositions, but the NB#1 sand exhibited ~10 times higher retention than the NB#3 sand. Polymer retention did not necessarily correlate with permeability. NB#1 sand exhibited much higher retention than OA sand, even though NB#1 sand was twice as permeable as OA sand. No evidence of chromatographic separation of HPAM molecular weights was found in our experiments. Although retention tended to be greater without a residual oil saturation (than at Sor), the effect was not strong. Aging a core (with high oil saturation) at 60°C reduced HPAM retention by a factor of two. As expected, under similar conditions, polymer retention was greater for a higher Mw HPAM (18 million g/mol) than for a lower Mw HPAM (10-12 million g/mol). In many cases with high polymer retention values (e.g., 240 μg/g), polymer arrival at the end of the core was relatively quick, but achieving the injected concentration occurred gradually over many pore volumes. This effect was not due chromatographic separation of polymer molecular weights. Results from modeling of this behavior was consistent with concentrationdependent polymer retention. The form assumed for the retention function in a simulator can have an important impact on the timing and magnitude of the oil response from a polymer flood. Field-based observations can underestimate polymer retention, depending on when the tracer and polymer concentrations were measured and the assumptions made about reservoir heterogeneity.

Wang, Dongmei↗
DOE OSTI2022

An influence of manufacturing tolerances on Pin-Cell k-infinity of MOX fuel using data from the FUBILA experiment program

An influence of manufacturing tolerances (MTs) was evaluated on the pin-cell k-infinity of MOX fuel through the random sampling of CASMO5 calculations. The data from the FUBILA experiment program was used as the manufacturing parameters. For the uncertainties of element/isotope mass fractions, their covariance matrices were calculated by the generalized least square method. The total k-infinity uncertainty was 120-250 pcm (percent mille). From the breakdown of k-infinity uncertainty per materials, the MTs of fuel pellet had a dominant influence. The individual influences were also evaluated for element/isotope mass fractions, an inner/outer diameter, and a density. Those of element/isotope mass fractions were less than a few dozen pcm. Since the perturbations of fuel pellet diameter and density caused large variations to the total amount of heavy metals and effect of spatial self-shielding, they had a negative correlation with the k-infinity perturbation. On the AG3 (Al-Mg alloy) over-cladding, the inner/outer diameter perturbations had both negative and positive correlations. The negative one was due to decrease in amount of light water and the positive one was due to increase in amount of AG3. Since the effect of neutron slowing-down by light water had a dominant influence, the influence of the former negative correlation was larger than that of the latter positive correlation. It is, therefore, concluded that the consideration of the MTs that had a large influence on the effect of neutron slowing-down is important for precise quantification of the pin-cell k-infinity uncertainty of MOX fuel. (author)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

High precision magnetic field measurement and mapping of the LEReC 180 degree bending magnet using very low field NMR with hall combined probe (140 - 350 gauss)

The Relativistic Heavy Ion Collider (RHIC) at BNL are using the Low Energy RHIC Electron Cooling (LEReC) to conduct experiments that search for the quantum chromodynamic (QCD) critical point. The first ever electron cooling based on the RF acceleration of electron beams was experimentally demonstrated on April 5, 2019 at LEReC at BNL. The first critical step in obtaining successful 3D non-magnetized cooling of the Au ion bunches in the RHIC cooling section was matching the electron beam energy with a relative error less than 5*10 -4 to the ion beam energy. Part of the LEReC beamline is a dipole magnet that bends the electron beam 180 degree. One of the most outstanding measurement challenges is that the dipole field is so low (≈200 G). Most of the existing NMR probes can only measure fields >400 G. Lower signal-to-noise ratio at low fields is requires the use of larger sample volumes. Working with CAYLAR, a NMR probe has been redesigned and optimized for these low field measurements with high resolution. We report the methods, challenges, and results for extensive magnetic field mappings of the 180 dipole magnet. A combination of NMR and Hall sensors has been successfully implemented to measure uniform field regimes inside the magnet center area and non-uniform field regimes at the magnet ends. Detailed measurement and mapping have been performed at five radii and five heights along the beam trajectory. Meanwhile a finite element magnetic modeling simulation of the magnet using Opera software has been performed. The calculated and measured data are compared, and the calculated data is good reference for measured data over long length mapping from magnet edge to center. The measured magnetic measurement data is directly useful for beam instrumentation, diagnostics and operation.

Magnetic Field Measurement↗
DOE OSTI2024

Alloying effects on the microstructure and properties of laser additively manufactured tungsten materials

A large body of literature within the additive manufacturing (AM) community has focused on successfully creating stable tungsten (W) microstructures due to significant interest in their application for extreme environments. However, cracking and additional embrittling features at grain boundaries have resulted in poorly performing materials, stymying the application of AM as a manufacturing technique for W. Several alloying strategies, such as ceramic particles and ductile elements, have emerged with the promise to eliminate cracking while simultaneously enhancing stability against recrystallization. Here, in this work, we provide new insights regarding the defects and microstructural features that result from the introduction of ZrC for grain refinement and NiFe as a ductile reinforcement phase – in addition to the resulting thermophysical and mechanical properties. ZrC is shown to promote microstructural stability with increased hardness due to the formation of ZrO 2 dispersoids. Conversely, NiFe forms into micron-scale FCC phase regions within a BCC W matrix, producing enhanced toughness relative to pure AM W. A combination of these effects is realized in the WNiFe + ZrC system and demonstrates that complex chemical environments coupled with the tuning of AM microstructures provides an effective pathway for enabling laser AM W materials with enhanced stability and performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Novel Algae Technology for CO2 Utilization

The United States, the world’s largest energy user and second largest CO2 emitter, is heavily dependent on fossil energy. In 2014, U.S. coal burning utilities emitted ~1562 million (MM) tons/year (TPY) of CO2 into the atmosphere, accounting for 76% of the total US power sector emissions1. Hence, reducing the CO2 emission footprint from coal plants is widely viewed as a key element in mitigating global warming. Despite significant interest, implementation of CO2 capture technologies has been constrained by the high capture cost which significantly increases the total cost of electricity. Not only is capturing CO2 with traditional technologies expensive, but generally the CO2 has little value and additional expense must be incurred for sequestration. This project funded by a SBIR grant from the U.S. D.O.E. to Helios-NRG in collaboration with the State University of New York at Buffalo (UB) and Membrane Technology and Research Inc. (MTR) aimed to develop a novel, algae based technology to capture CO2 from the effluent of coal-based power plants and convert it to renewable bio-fuels and higher value co-products such as animal feed and nutraceuticals with the potential to enable a substantial reduction in the net cost of carbon capture. The Phase 2 project was aimed at further demonstrating the technical feasibility of the proposed multi-stage continuous (MSC) flow CO2 capture system and the generation of high-value co-products to offset the CO2 capture cost. The project was completed and the project objectives were met and exceeded. A first-of-a-kind integrated, laboratory scale MSC process unit was fabricated and tested in a greenhouse. The tests were conducted with the preferred algae species identified in Phase I and simulated flue gas containing contaminants at levels typically present in the post flue gas desulfurization (FGD) stream, including ~12% CO2, acid gas (SOX, NOX), and a large number of heavy metals. The tests were successful and demonstrated a 25g/m2/day seasonal average algae productivity and an 80% CO2 capture efficiency. Two new algae species were identified for high-value nutraceutical production. Studies to improve growth rate and nutraceutical content of these algae species were performed and a pathway for further improvements was identified. A new dewatering technology called DeAqua was further advanced. Significant improvement in the performance index was achieved. The anti-fouling membrane was developed and fabricated into a module. The fabricated membrane module was tested with algae slurry and demonstrated improved fouling resistant properties, that can potentially reduce the cost and energy of the critical dewatering step. Test data were used to simulate operation of the overall process. The preliminary economic analysis was updated and modelled based on a 5000-acre algae farm. To the extent possible, the financial and operating assumptions used were the same as those used in the DOE’s 2022 projections for algae technology for CO2 capture and utilization. The results showed the proposed technology’s potential to significantly reduce the cost of CO2 capture compared to current options and that the high value products generated from the CO2 captured can make a step change in the cost of carbon capture. Plans to advance the technology to Phase 2B were developed and potential end-user partners were identified.

Maloney, James↗
DOE OSTI2020

Study of Quasielastic Barrier Distributions as a Step towards the Synthesis of Superheavy Elements with Hot Fusion Reactions

The excitation functions for quasielastic scattering of Ne 22 + Cm 248 , Mg 26 + Cm 248 , and Ca 48 + U 238 are measured using a gas-filled recoil ion separator. The quasielastic barrier distributions are extracted for these systems and are compared with coupled-channel calculations. The results indicate that the barrier distribution is affected dominantly by deformation of the actinide target nuclei, but also by vibrational or rotational excitations of the projectile nuclei, as well as neutron transfer processes before capture. From a comparison between the experimental barrier distributions and the evaporation residue cross sections for Sg ( Z = 106 ), Hs (108), Cn (112), and Lv (116), it is suggested that the hot fusion reactions take advantage of a compact collision, where the projectile approaches along the short axis of a prolately deformed nucleus. Overall, a new method is proposed to estimate the optimum incident energy to synthesize unknown superheavy nuclei using the barrier distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Microscopic calculation of fission product yields with particle-number projection

Fission fragments' charge and mass distribution is an important input to applications ranging from basic science to energy production or nuclear nonproliferation. In simulations of nucleosynthesis or calculations of superheavy elements, these quantities must be computed from models, as they are needed in nuclei where no experimental information is available. Until now, standard techniques to estimate these distributions were not capable of accounting for fine-structure effects, such as the odd-even staggering of the charge distributions. In this work, we combine a fully microscopic collective model of fission dynamics with a recent extension of the particle number projection formalism to provide the highest-fidelity prediction of the primary fission fragment distributions for the neutron-induced fission of 235 U and 239 Pu. Here, we show that particle-number projection is an essential ingredient to reproduce odd-even staggering in the charge yields and benchmark the performance of various empirical probability laws that could simulate its effect. This new approach also enables for the first time the realistic determination of two-dimensional isotopic yields within nuclear density functional theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

CRITICAL MINERAL RESOURCE ASSESSMENT OF COALS FROM THE POWDER RIVER BASIN, WYOMING, USA

Coal and associated sediments are potential sources of Rare Earth Elements (REE) and other critical minerals necessary for many consumer and defense-related products and development of energy technologies. For this study, 15 samples were sourced from Dry Fork Mine within the Powder River Basin near Gillette, Wyoming, to determine REE content along with select transition metals (t-metals) of interest in non-combusted coals and associated sediments. An excavator collected samples along a mine highwall, within benched intervals representing a foot to a few feet of coal strata. Homogenized sample subsets were crushed in an aluminum-ceramic vial, then passed through a 106-micron sieve. Sieved samples were pyrolyzed by a LECO TGA-108, which concurrently measured sample moisture, volatile, and ash content. Residual ash was then fused into a glass bead with lithium metaborate at a 6:1 Li-metaborate to sample ratio and then dissolved in 20% nitric acid. The nitric acid solutions containing digested beads were then diluted and passed through a 0.45 micron syringe filter. Filtered samples were analyzed by ICP-MS for REE and select t-metals. Reagent blanks were analyzed to assess for any potential contamination. Total REE plus Y (REE+Y) concentrations across the 15 samples range from 52 ppm to 1015 ppm with an average of 477 ppm on a dry ash basis. When normalized to upper continental crust (UCC; Taylor and McLennan, 1985) values, 13 of the 15 samples show average enrichment factors (EF) for REE+Y greater than 1. EF values indicate M-type enrichment (Sm through Er), as opposed to distinct preferential enrichment of light or heavy REE. T-metals with the highest average concentrations are V, Cu, Ni, and Zr at 215, 243, 123, and 118 ppm, respectively. Multiple t-metals had EF>1; however, Cu, Ge, and Sb have the highest average EF relative to UCC for t-metals, at 9.7, 8.0, and 17.0, respectively.

Copeland, Grant↗
DOE OSTI2022

Enhancing the Phytoremediation of Heavy Metals by Combining Hyperaccumulator and Heavy Metal-Resistant Plant Growth-Promoting Bacteria

Heavy metals (HMs) have become a major environmental pollutant threatening ecosystems and human health. Although hyperaccumulators provide a viable alternative for the bioremediation of HMs, the potential of phytoremediation is often limited by the small biomass and slow growth rate of hyperaccumulators and HM toxicity to plants. Here, plant growth-promoting bacteria (PGPB)-assisted phytoremediation was used to enhance the phytoremediation of HM-contaminated soils. A PGPB with HM-tolerant (HMT-PGPB), Bacillus sp. PGP15 was isolated from the rhizosphere of a cadmium (Cd) hyperaccumulator, Solanum nigrum . Pot experiments demonstrated that inoculation with strain PGP15 could significantly increase the growth of S. nigrum . More importantly, strain PGP15 markedly improved Cd accumulation in S. nigrum while alleviating Cd-induced stress in S. nigrum . Specifically, PGP15 inoculation significantly decreased the contents of H 2 O 2 , MDA, and O 2 · − in S. nigrum , while the activities (per gram plant fresh weight) of SOD, APX, and CAT were significantly increased in the PGP15-inoculated plants compared with the control sample. These results suggested that the interactions between strain PGP15 and S. nigrum could overcome the limits of phytoremediation alone and highlighted the promising application potential of the PGPB-hyperaccumulator collaborative pattern in the bioremediation of HM-contaminated soils. Furthermore, the PGP15 genome was sequenced and compared with other strains to explore the mechanisms underlying plant growth promotion by HMT-PGPB. The results showed that core genes that define the fundamental metabolic capabilities of strain PGP15 might not be necessary for plant growth promotion. Meanwhile, PGP15-specific genes, including many transposable elements, played a crucial role in the adaptive evolution of HM resistance. Overall, our results improve the understanding of interactions between HMT-PGPB and plants and facilitate the application of HMT-PGPB in the phytoremediation of HM-contaminated soils.

Zhang, Yong↗
DOE OSTI2022

Land-based wind turbines with flexible rail-transportable blades – Part 2: 3D finite element design optimization of the rotor blades

Abstract. Increasing growth in land-based wind turbine blades to enable higher machine capacities and capacity factors is creating challenges in design, manufacturing, logistics, and operation. Enabling further blade growth will require technology innovation. An emerging solution to overcome logistics constraints is to segment the blades spanwise and chordwise, which is effective, but the additional field-assembled joints result in added mass and loads, as well as increased reliability concerns in operation. An alternative to this methodology is to design slender flexible blades that can be shipped on rail lines by flexing during transport. However, the increased flexibility is challenging to accommodate with a typical glass-fiber, upwind design. In a two-part paper series, several design options are evaluated to enable slender flexible blades: downwind machines, optimized carbon fiber, and active aerodynamic controls. Part 1 presents the system-level optimization of the rotor variants as compared to conventional and segmented baselines, with a low-fidelity representation of the blades. The present work, Part 2, supplements the system-level optimization in Part 1 with high-fidelity blade structural optimization to ensure that the designs are at feasible optima with respect to material strength and fatigue limits, as well as global stability and structural dynamics constraints. To accommodate the requirements of the design process, a new version of the Numerical Manufacturing And Design (NuMAD) code has been developed and released. The code now supports laminate-level blade optimization and an interface to the International Energy Agency Wind Task 37 blade ontology. Transporting long, flexible blades via controlled flapwise bending is found to be a viable approach for blades of up to 100 m. The results confirm that blade mass can be substantially reduced by going either to a downwind design or to a highly coned and tilted upwind design. A discussion of active and inactive constraints consisting of material rupture, fatigue damage, buckling, deflection, and resonant frequencies is presented. An analysis of driving load cases revealed that the downwind designs are dominated by loads from sudden, abrupt events like gusts rather than fatigue. Finally, an analysis of carbon fiber spar caps for downwind machines finds that, compared to typical carbon fibers, the use of a new heavy-tow carbon fiber in the spar caps is found to yield between 9 % and 13 % cost savings.

17 WIND ENERGY↗
DOE OSTI2020

Relations between b → cτν decay modes in scalar models

As a consequence of the Ward identity for hadronic matrix elements, we find relations between the differential decay rates of semileptonic decay modes with the underlying quark-level transition b → cτν, which are valid in scalar models. The decay-mode dependent scalar form factor is the only necessary theoretical ingredient for the relations. Otherwise, they combine measurable decay rates as a function of the invariant mass-squared of the lepton pair $q^2$ in such a way that a universal decay-mode independent function is found for decays to vector and pseudoscalar mesons, respectively. This can be applied to the decays $B → D^{\ast}τv, B_s → D^\ast_sτv, B_c → J/ψτv$ and $B → Dτv, B_s → D_sτv, B_c → η_cτv$, with implications for $R(D^{(\ast)}), R(D^{(\ast)}_s), R(J/ψ), R(η_c)$, and $\mathcal{B}(B_c → τv)$. The slope and curvature of the characteristic $q^2$-dependence is proportional to scalar new physics parameters, facilitating their straight forward extraction, complementary to global fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Synthesis and Single Crystals of Refractory Oxides of Lanthanides and Thorium

At the completion of this program, we can report that we developed a considerable degree of technical improvements in our ability to perform hydrothermal reactions at high temperatures and pressures. We can now routinely perform reactions at 700-750°C and 200 MPa. Currently we are in the process of exploiting this new technology synthesizing a range of exotic new materials investigating relatively poorly understood materials. Our initial efforts focused on the chemistry of rare earth oxides with tetravalent and pentavalent oxides. We recently published a study of the lanthanides with Nb 5+ and Ta 5+ ions, where we grew oxides such as RENdO 4 and RETaO 4 as high quality single crystals. These compounds were targeted as potential hosts for luminescent and scintillation materials, particularly given that they are among the densest oxide hosts and hence have good potential as absorbers for high energy radiation like X-rays and gamma rays. We also isolated a range of unusual new rare earth tantalates with very complex structures. indicating that the chemistry is very sensitive to conditions. We performed some fairly comprehensive examinations of the solid-state chemistry of rare earth ions with various tetravalent metal ions especially Si 4+ , Ge 4+ , Sn 4+ and Ti 4+ . Given the potential role of rare earth silicates in immobilizing radioactive waste elements in long-term storage, and the similarity of our hydrothermal fluids with known geological conditions, this chemistry continues to be relevant. We prepared an extensive series of new lanthanide germanates (e.g. RE 13 Ge 6 O 31 (OH), BaRE 10 (GeO 4 ) 4 O 8 ). and found that there is there is almost no overlap between the chemistry of the rare earth silicates. Stannic oxide (SnO 2 ) is much more refractory and requires higher temperatures and of mineralizer concentrations. One significant result is the growth of RE 2 Sn 2 O 7 pyrochlore single crystals. These are of interest because the rare earth stannate pyrochlores are known to display a wide range of magnetic frustration such as spin ice behavior. We grew high quality single crystals of rare earth germanate and stannate pyrochlores and this led to a collaboration with Professor Kate Ross at Colorado State. Preliminary measurements, indicate that the crystals contain no detectable defects or site disorder. Initial neutron diffraction on single crystals was performed at Oak Ridge, and more detailed experiments involving the Ross group are underway at both NIST and ORNL. This particular chemistry has turned out to be the most potentially significant work on this project and the collaborative effort with Prof. Ross is the topic of a DoE renewal project on quantum materials. Our initial foray into the hydrothermal chemistry of rare earth titanates has also been very promising and a range of cubic and polar ferroic phases of the light rare earths RE 2 Ti 2 O 7 (RE = La - Pr) in the P2 1 phase. We also discovered an interesting new phase Ce 2 Ti 4 O 11 that can have implications in heavy metal immobilization and storage. along with a series of new rare earth titanates (La 5 Ti 4 O 15 (OH) Sm 3 TiO 5 (OH) 3 and Lu 5 Ti 2 O 11 (OH) with exceptionally complex structures. One interesting sidelight has been high temperature hydrothermal chemistry terbium, including the growth of large crystals of TbO(OH). This is not a new compound but it is the first time it has been grown as large single crystals. The Tb atom density is almost as high as that in Tb 2 O 3 and has a very high Verdet constant (ca. 70), making it a very attractive candidate as a Faraday rotator. Unfortunately it is not in a cubic structure but he material is hard, stable, pure and inexpensive, so should still be an attractive Faraday oscillator. We recently received a patent on this material. We also synthesized K 2 Tb(Ge 2 O 7 ) containing stable octahedral Tb 4+ ions, which appears to be the first example of a well-characterized Tb 4+ complex. Given that Tb 4+ has been proposed as a benign surrogate for more treacherous tetravalent ions such as Cf 4+ and Bk 4+ , we think that Tb 4+ silicates can be a particularly useful study for actinide immobilization and related work. We also began reaction studies with rare earths and both ReO 2 and RuO 2 . These resulted in large single crystals of species like RE 5 Ru 2 O 12 , RE 4 Re 2 O 11 , REReO 4 and RE 2 ReO 5 . Several of these samples have already been sent to ORNL for magnetic and neutron diffraction studies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Novel Membrane and Electrodeposition-Based Separation and Recovery of Rare Earth Elements from Coal Combustion Residues (Final Report)

This project developed a hydrometallurgical-based technology to extract and concentrate rare earth elements (REEs) from a representative group of coal combustion residuals (CCRs) from major coal sources in the United States. The approach for REE recovery comprises two general components: (1) Leaching of REEs from CCRs and (2) Separation of REEs from other major ions in the CCR leachate. The leaching step entails acid leaching with nitric or hydrochloric acid, and in some cases, pretreatment of CCRs with alkaline roasting prior to acid leaching. The follow-up REE recovery steps involve a series of membrane-based methods to separate and concentrate rare earth ions from other major ions in acid leachates of CCRs. These methods include liquid emulsion membranes, supported liquid membranes and electrodeposition with carbon nanotube electrochemical filters. The advantage of these separation approaches (relative to conventional approaches such as solvent extraction) is a reduction in the usage of solvents and other costly chemicals and a reduction of hazardous waste products that are challenges in conventional REE separation methods. In the testing of our process, we selected a representative set of CCR samples from our collection and performed a suite of characterization measurements (total REE content and major mineralogy). The major results of this work demonstrated that heated acid leaching could efficiently extract REEs from PRB-based coal fly ashes while the Appalachian and Illinois Basin CCRs required alkaline roasting with NaOH prior to acid leaching at room temperature. The supported liquid membrane (SLM) configuration and electrochemical deposition (ED) system yielded the most promising methods of REE recovery from the acid leachates of fly ash. Our most concentrated product to date comprised 1 wt.% (dry basis) REEs produced from an Appalachian-based fly ash leached and purified by SLM. The SLM separation process was more selective for heavy REEs over the light REEs. When SLM was combined with ED, preliminary results demonstrated that a final product of >2 wt.% REEs was possible.

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