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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Demonstration of 151 Sm analysis using Trinity nuclear debris samples

Here, the long-lived fission product 151 Sm (T 1/2 ≈ 90 y) present in archived dissolved Trinity nuclear test debris samples was analyzed using liquid scintillation counting and the results were compared to the expected values based upon historical analysis results. The measured 151 Sm activities were found to agree with the expected values within experimental error. This demonstration validates the use of this technique in situations where the sample is too old for traditional shorter half-life radioactive fission product signatures such as 99 Mo (T 1/2 = 2.75 d), 97 Zr (T 1/2 = 16.7 h), 147 Nd (T 1/2 = 10.98 d), and 153 Sm (T 1/2 = 46.3 h), or too dilute for determining fissions through stable isotope ratio measurements.

151Sm↗
DOE OSTI2021

Structural and Spectroscopic Analysis of Ln(II) 18-crown-6 and Benzo-18-crown-6 Complexes (Ln = Sm, Eu, Yb)

Three Ln 2+ 18-crown-6 complexes of the formula Ln(18-crown-6)I 2 (Ln = Sm, Eu, Yb) were isolated from the explicit synthesis of the corresponding LnI 2 salts with 18-crown-6 and tetrabutylammonium tetraphenylborate in organic media under air-free conditions. Each metal complex forms a distorted hexagonal bipyramidal geometry and crystallizes in the monoclinic space group P2 1 /n. Comparatively, crystallization of Ln(benzo-18-crown-6)I 2 (Ln = Sm, Eu, Yb) from the reaction of LnI2 with tetrabutylammonium tetraphenylborate and benzo-18-crown-6 in THF/ethanol under similarly air-free conditions yields two polymorphs. The first form, α, crystallizes in the monoclinic space group P2 1 /c (or the nonstandard setting P2 1 /n for α-Yb); whereas the second polymorph, β, crystallizes in P$\bar{1}$. While the geometries of the molecules only vary slightly, the molecular packing and intramolecular contacts are quite different. In the structure of β, π–π interactions between the benzo- moieties of adjacent molecules are observed, whereas these interactions are absent in α. Despite the similarities in these classically 4f n+1 lanthanide systems, the complexes display distinct spectroscopic features in their respective absorption and photoluminescence spectra. Broadband 5d → 4f photoluminescence was observed for the Sm and Eu compounds in the NIR region and UV–visible region, respectively. None of the three Yb compounds exhibit photoluminescence UV–visible-NIR region; however, a unique photooxidation event was observed resulting in characteristic Yb(III) 4f → 4f transitions in the NIR region of the absorption spectra of these compounds. Finally, these findings are discussed along with structural comparisons of the 18-crown-6 and benzo-18-crown-6 compounds as well as other reported Ln(II) crown complexes in the literature.

crystals↗
DOE OSTI2022

Ln 10 S 14 O (Ln = La, Pr, Nd, Sm) Oxysulfides: A Series of Direct n-Type Semiconductors

Lanthanoid oxysulfides are promising materials for technological applications owing to their magnetic, photoluminescent, catalytic, and optoelectronic properties. In this work, we report the solid-state synthesis and structural characterization of Ln 10 S 14 O (Ln = La, Ce, Pr, Nd, Sm) oxysulfides. Then, we present a thorough discussion on their electronic and photophysical properties. Through Tauc plot analysis and the derivation of the absorption spectrum fitting method (DASF), we determine that all oxysulfides have direct band gaps with energies of 2.84 eV (La), 2.02 eV (Ce), 2.56 eV (Pr), 2.64 eV (Nd), and 2.41 eV (Sm). Furthermore, surface photovoltage spectroscopy (SPS) shows photovoltage (ΔCPD) values of –0.4 to –1.1 V for La-, Pr-, Nd-, and Sm-containing compounds when illuminated near the optical band gap, indicating that these oxysulfides are n-type semiconductors, which is consistent with Mott–Schottky analysis. Photovoltages under sub-band gap illumination energy and photovoltage decay data suggest mid-band gap states possibly arising from the lanthanoid 4f orbitals and/or defects within the crystal structure or at the particle surfaces. These photophysical properties suggest possible applications of the oxysulfides in photoelectrochemical and photovoltaic energy conversion.

14 SOLAR ENERGY↗
DOE OSTI2022

Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field

With the continual development of lanthanides (Ln) in current technological devices, an efficient separation process is needed that can recover greater amounts of these rare elements. Dicyclohexano-18-crown-6(DCH18C6) is a crown ether that may be a promising candidate for Ln separation, but additional research is required. As such, molecular dynamics(MD) simulations have been performed on four divalent lanthanide halide salts(Sm 2+ , Eu 2+ , Dy 2+ , and Yb 2+ ) and one divalent actinide halide salt (Cf 2+ ) bound to three diastereoisomers of DCH18C6. Dy 2+ , Yb 2+ , Cf 2+ , DCH18C6, and tetrahydrofuran (THF) solvent were parameterized for the AMOEBA polarizable force field for the first time, whereas existing parameters for Sm 2+ and Eu 2+ were utilized from our previous efforts. A coordination number (CN) of six for Ln 2+ /An 2+ –O solvated in THF indicated that the cations interacted almost entirely with the oxygens of the polyether ring. A CN of one for Ln 2+ /An 2+ -N solvated in acetonitrile for systems containing iodide suggested that theN atom of acetonitrile was competitive with I – for cation interactions. Fluctuation between five and six CNs for Dy 2+ and Yb 2+ suggested that although the cations remained in the polyether ring, the size of the ring may not be an ideal fit as these cations possess comparatively smaller ionic radii. Gibbs binding free energies of Sm 2+ in all DCH18C6 diastereoisomers solvated in THF were calculated. The binding free energy of the cis-syn-cis diastereoisomer was the most favorable, followed by cis-anti-cis, and then trans-anti-trans. Lastly, two major types of conformation were observed for each diastereoisomer that were related to the electrostatic interactions and charge density of the cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Isotropic parallel antiferromagnetism in the magnetic field induced charge-ordered state of $\mathrm{Sm Ru_4 P_{12}}$ caused by $p - f$ hybridization

Nature of the field-induced charge-ordered phase (phase II) of SmRu 4 P 12 has been investigated by resonant x-ray diffraction (RXD) and polarized neutron diffraction (PND), focusing on the relationship between the atomic displacements and the antiferromagnetic (AFM) moments of Sm. From the analysis of the interference between the nonresonant Thomson scattering and the resonant magnetic scattering, combined with the spectral function obtained from x-ray magnetic circular dichroism, it is shown that the AFM moment of Sm prefers to be parallel to the field (m AF ∥ H), giving rise to large and small moment sites around which the P 12 and Ru cage contract and expand, respectively. This is associated with the formation of the staggered ordering of the Γ 7 -like and Γ 8 -like crystal-field states, providing a strong piece of evidence for the charge order. PND was also performed to obtain complementary and unambiguous conclusion. In addition, isotropic and continuous nature of phase II is demonstrated by the field-direction invariance of the interference spectrum in RXD. Finally, crucial role of the p-f hybridization is shown by resonant soft x-ray diffraction at the P K edge (1s↔3p), where we detected a resonance due to the spin polarized 3p orbitals reflecting the AFM order of Sm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Indirect determination of neutron-capture cross sections for Sm isotopes

Neutron-capture cross sections in the energy range of 0.01–10 MeV for Sm 146 , 148 , 150 , 152 nuclei were calculated using the γ -ray strength and level density functions extracted from the Oslo-type experiments. The uncertainties in the cross-section values were determined using a Monte Carlo method. For the Sm 148 , 150 , 152 isotopes, the calculated cross sections are in a good agreement with the existing experimental data and for the Sm 146 nucleus, an experimental ( n , γ ) cross section is reported for the first time. The results are compared with the ENDF, EAF, and TENDL evaluations. Maxwellian-averaged cross sections were also calculated using the same input γ SF and LD functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Gamma Decay of the 154 Sm Isovector Giant Dipole Resonance: Smekal-Raman Scattering as a Novel Probe of Nuclear Ground-State Deformation

𝛾 decays of the isovector giant dipole resonance (IVGDR) of the deformed nucleus 154 Sm were measured using 2$^{+}_{1}$-Smekal-Raman and elastic scattering of linearly polarized, quasimonochromatic photon beams. The two scattering processes were disentangled through their distinct angular distributions. Their branching ratio and cross sections were determined at six excitation energies covering the 154 Sm IVGDR. Both agree with the predictions of the geometrical model for the IVGDR and confirm 𝛾 decay as an observable sensitive to the structure of the resonance. Consequently, the data place strong constraints on the nuclear shape, including the degree of triaxiality. The derived 154 Sm shape parameters 𝛽 = 0.2925⁢(25) and 𝛾 = 5.0⁢(15)° agree well with other measurements and recent Monte Carlo shell-model calculations.

150 ≤ A ≤ 189↗
DOE OSTI2024

Structural phase diagram for Sm-substituted BiFeO 3 multiferroics

The structural evolution of Sm substituted BiFe⁢O 3 is studied by total x-ray scattering and structure modeling. It is shown that the crystal structure changes from polar to antipolar and then to nonpolar when the Sm to Bi ratio in the material approaches 20% and 40%, respectively, with no intermixing between the structure types. The evolution is driven by lattice strain induced by the difference in the size of Sm and Bi atoms, leading to changes in the pattern of octahedral tilts and Bi off-centering, which, in turn, induce changes in the multiferroic properties. Furthermore, the substitution ratio at which the different structure types emerge appears to be tied up with the average radius of the atomic species occupying the Bi sites in the perovskite lattice and volume occupied by a formula unit, rendering both quantities useful predictor variables for guiding computational searches for substituted BiFe⁢O 3 multiferroics with improved functional properties.

Ferroelectricity↗
NASA NTRS1977

Rb-Sr and Sm-Nd chronology and genealogy of mare basalts from the Sea of Tranquility

Rb-Sr and Sm-Nd ages of two Apollo 11 mare basalts, high-K basalt 10072 and low-K basalt 10062, are reported. Rb-Sr, Sm-Nd, and Ar-40-Ar-39 ages are in good agreement and indicate an extensive time interval for filling of the Sea of Tranquility, presumably by thin lava flows, in agreement with similar observations for the Ocean of Storms. Initial Sr and Nd isotopic compositions on Apollo 11 basalts reveal at least two parent sources producing basalts. The Sm-Nd isotopic data demonstrate that low-K and high-Ti basalts from Apollo 11 and 17 derived from distinct reservoirs, while low-Ti Apollo 15 mare basalt sources have Sm/Nd similar to the sources of Apollo 11 basalts. Groupings of mare basalt based on Ti content and on isotopic data do not coincide.

Papanastassiou, D. A.↗
NASA NTRS1978

The Sm-Nd history of KREEP

Sm-Nd whole rock measurements on a variety of KREEP-rich samples from different landing sites are reported. Despite a variation of Nd and Sm concentrations of almost a factor of 3, the Sm-Nd ratios, as well as the Nd-143/Nd-144 values, show an extremely close grouping. No systematic differences between samples from different landing sites are resolved. These results are taken to be indicative of a moon-wide process having been responsible for the generation of the KREEP source reservoir, 4.36 plus or minus 0.06 AE ago, as estimated from model age calculation.

Lugmair, G. W.↗
NASA NTRS1978

Origin and history of the adcumulate eucrite, Moama as inferred from REE abundances, Sm-Nd and U-Pb systematics

The abundances of Sm-Nd and U-Pb isotopes and of rare earth elements (REE) in Moama cumulate eucrite were investigated. The Sm-Nd data plotted on a Nd-143/Nd-144 vs Sm-147/Nd-144 evolution diagram define a line with a slope corresponding to an age of 4.58 plus or minus 0.05 billion years and an initial Nd-143/Nd-144 ratio of about 0.50684. Moama was found to contain the lowest overall trivalent REE abundances, the most light REE-depleted abundance pattern, and largest positive Eu anomaly of any eucrite yet studied. The REE data indicate that Moama could have been derived by about 1 to 5% fractional crystallization from a liquid with REE contents similar to Juvinas, or about 20 to 30% fractional crystallization from a Sioux County-like liquid. The data are consistent with the hypothesis that the Moama, Serra de Mage, and Moore county cumulate meteorites could have been derived from the same parent liquid. Results of the U-Th-Pb study indicate that the majority of the Pb in Moama is of terrestrial origin, and suggest that the meteorite has undergone a minor thermal event causing re-equilibration of the U-Pb system.

Hamet, J.↗
NASA NTRS1979

Sm-Nd constraints on early lunar differentiation and the evolution of KREEP

The internal Sm-Nd systematics of lunar KREEP basalt 15386 and its implications for the evolutionary history of KREEP on the moon are reported. The age of the 15386 rocklet indicated by the measured Sm-Nd mineral isochron is consistent with the reported Rb-Sr and (Ar-39)-(Ar-40) ages of other KREEP-rich samples, which is interpreted as the time 15386 crystallized from a liquid on or near the lunar surface. This suggests that the eruption of these incompatible element-rich liquids was related to deep impact events during the final bombardment phase of the surface of the moon. It is concluded that the extremely narrow spread of Sm-Nd model ages for these samples around 4.36 AE, and the compatibility of this age with that indicated by the U-Pb and Rb-Sr systems, indicate that the source of later KREEP volcanism was produced in the closing stages of an early global scale lunar differentiation episode.

Carlson, R. W.↗
NASA NTRS1980

Sm-Nd isotopic evolution of chondrites

The Nd-143/Nd-144 and Sm-147/Nd-144 ratios measured in 5 chondrites and the Juvinas achondrite correlated with the variation of 4.2% in Sm-147/Nd-144. Most of the spread in the range of these ratios results from small heterogeneities in the chondrites and does not reflect the large-scale volumetric averages. A new set of self-consistent reference values were selected for the 'chrondritic uniform reservoir' (CHUR); the new Sm-147/Nd-144 value is 1.6% higher than the previous value assigned to CHUR using the Juvinas data of Lugmair (1975). The new CHUR curve indicates significant changes in model ages for lunar rocks and in the interpretation of early lunar chronology.

Jacobsen, S. B.↗
NASA NTRS1982

Origin and evolution of the Nakhla meteorite inferred from the Sm-Nd and U-Pb systematics and REE, Ba, Sr, Rb and K abundances

Analyses of whole rock and mineral separates from the Nakhla meteorite are carried out by means of Sm-Nd and U-Tn-Pb systematics and by determining their REE, Ba, Sr, Rb, and K concentrations. Results show that the Sm-Nd age of the meteorite is 1.26 + or - 0.7 b.y., while the high initial epsilon(Nd) value of +16 suggests that Nakhla was derived from a light REE-depleted, old planetary mantle source. A three-stage Sm-Nd evolution model is developed and used in combination with LIL element data and estimated partition coefficients in order to test partial melting and fractional crystallization models and to estimate LIL abundances in a possible Nakhla source. The calculations indicate that partial melting of the source followed by extensive fractional crystallization of the partial melt could account for the REE abundances in the Nakhla constituent minerals. It is concluded that the significantly younger age of Nakhla than the youngest lunar rock, the young differentiation age inferred from U-Th-Pb data, and the estimated LIL abundances suggest that this meteorite may have been derived from a relatively large, well-differentiated planetary body such as Mars.

Nakamura, N.↗
NASA NTRS1983

Sm-Nd isotopic systematics and REE abundance studies of the ALH-765 eucrite

Analyses of Sm-Nd systematics and REE concentrations were carried out for the whole rock and mineral separates from the ALH-765 meteorite. A Sm-Nd age of 4.52 + or - 0.09 (2 sigma) b.y. and an initial Nd-143/Nd-144 ratio of 0.50675 + or 0.00011 (2 sigma) have been obtained. The previously reported Ce irregularities have been re-examined in this work. The large Ce anomalies and some minor Sm-Nd system disturbances observed for the meteorite may be interpreted as results of terrestrial weathering effects.

Nakamura, N.↗
NASA NTRS1986

Nuclear tracks, Sm isotopes and neutron capture effects in the Elephant Morraine shergottite

Nuclear track studies, uranium concentration measurements and Sm-isotope studies have been performed on both lithologies A and B of the Elephant Morraine shergottite, EETA 79001. Track studies show that EETA 79001 was a rather small object in space with a preatmospheric radius of 12 + or - 2 cm, corresponding to a preatmospheric mass of 28 + or - 13 kg. Phosphates have U concentrations ranging from 0.3 to 1.3 ppm. There are occasional phosphates with excess fission tracks, possibly produced from neutron-induced fission of U and Th, during the regolith exposure in the shergottite parent body (SPB). Sm-isotope studies, while not showing any clear-cut excess in Sm-150, make it possible to derive meaningful upper limits to thermal neutron fluences of 2 to 3 x 10 to the 15th n/sq cm, during a possible regolith irradiation. These limits are consistent with the track data and also make it possible to derive an upper limit to the neutron exposure age of EETA 79001 of 55 Myr in the SPB regolith.

Rajan, R. S.↗
NASA NTRS1989

A Sm-Nd and Pb isotope study of Archaean greenstone belts in the southern Kaapvaal Craton, South Africa

An Sm-Nd and Pb study on a wide variety of lithologies in Archaean greenstone belt fragments in the southern Kaapvaal Craton reveals a complex petrogenetic history. The fragments are important because they represent a 350 km transect through the craton south of Barberton to its southern margin. The Commondale greenstone belt yields a precise Sm-Nd age of 3334 + or - 18 Ma on an exceptionally well preserved peridotite suite of komatiitic affinity. The wide range of Sm/Nd from 0.6 to 1.0 is attributed to the unusual occurrence of orthopyroxene in the spinifex-bearing rocks. A considerably younger age of about 3.2 Ga is suggested for the Nondweni greenstone belt close to the southern margin of the craton on the basis of separate Sm-Nd isochrons on individual lithologies ranging from komatiite, through komatiitic basalt and basalt to felsic volcanic rocks. On the basis of the present study the greenstone belts appear to have been emplaced at progressively younger ages toward the southern margin of the craton.

Wilson, A. H.↗
NASA NTRS1993

Rb-Sr and Sm-Nd isotopic variations in dissected crustal xenoliths

The effect of magma-xenolith interaction on the Rb-Sr and Sm-Nd isotopic systematics was investigated by studying the Rb-Sr and Sm-Nd variations in dissected crustal xenoliths sampled from different localities across Scotland. The Nd isotopic compositions were found to be virtually uniform across each xenolith, but significant variations were found in Rb, Sr, and REE concentrations, as well as in Rb/Sr and Sm/Nd ratios and Sr isotopic composition. Most of these variations appear to be inherited from the protolith, but, in one case, they have been modified by melt infiltration from the host magma. The results lend confidence to the interpretation of the isotopic and chemical compositions of xenoliths transported in basaltic magmas as reflecting their source regions, but they also highlight the potential problems of interpreting Sm-Nd model ages from metamorphic rocks.

Lee, Der-Chuen↗