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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Rheology of fresh cement pastes containing polymer nanoparticles

Influences of polymer nanoparticles (PNPs) with varied charge densities on the rheological behaviors of fresh cement pastes (fcps) without and with polycarboxylate superplasticizer (PCE) were studied. In the blank fcp, the addition of PCE and highly anionically charged PNPs greatly decreases the yield stress and the plastic viscosity due to their large adsorption on cement that produces electrostatic repulsion and steric hindrance between cement grains. However, the non-adsorbing nonionic PNPs show a slightly opposite effect. In the PCE-containing fcp, both the anionic and nonionic PNPs become non-adsorbing on cement due to the stronger affinity of PCE to cement surface. In this way, the addition of the PNPs in the PCE-containing fcp slightly increases the yield stress and the plastic viscosity, but significantly decreases the pseudoplastic index, which is believed to result from the generation of the so-called depletion attractive force between cement grains induced by the non-adsorbing polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Autogenous shrinkage and hydration property of alkali activated slag pastes containing superabsorbent polymer

In this paper, the superabsorbent polymer (SAP) was applied as internal curing agent to study its effect on the autogenous shrinkage and hydration property of alkali activated slag (AAS) pastes. Liquid absorption and release processes of SAP in AAS pastes were characterized by {sup 1}H nuclear magnetic resonance ({sup 1}H NMR). Moreover, the microstructure and mechanical strength of AAS pastes containing SAP were also revealed. The results showed that the autogenous shrinkage of AAS pastes containing SAP was reduced by about 80.6%, 72.1% and 72.6%, respectively as the silicate modulus (Ms) increased from 0.8 to 1.4. The addition of SAP delayed the second exothermic peak, but increased the cumulative heat of AAS pastes. In addition, internal curing by SAP could promote the generation of C-A-S-H gels and hydrotalcite-like phases and increase the reaction degree of slag, particularly for AAS pastes with higher Ms, being attributed to the continuous release of entrained water and alkali activator solutions in SAP with the increase of hydration time. Furthermore, the addition of SAP would increase capillary pore size and pore volume of AAS pastes, and thus lead to the decrease of compressive strength.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Polymeric ionic liquids containing copper(I) and copper(II) ions as gas chromatographic stationary phases for olefin separations

Copper(I) ions (Cu + ) are used in olefin separations due to their olefin complexing ability and low cost, but their instability in the presence of water and gases limits their widespread use. Ionic liquids (ILs) have emerged as stabilizers of Cu + ions and prevent their degradation, providing high olefin separation efficiency. There is limited understanding into the role that polymeric ionic liquids (PILs), which possess similar structural characteristics to ILs, have on Cu + ion-olefin interactions. Moreover, copper ions with diverse oxidation states, including Cu + and Cu 2+ ions, have been rarely employed for olefin separations. In this study, gas chromatography (GC) is used to investigate the interaction strength of olefins to stationary phases composed of the 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C 6 MIM + ][NTf 2 – ]) IL and the poly(1-hexyl-3-vinylimidazolium [NTf 2 – ]) (poly([C 6 VIM + ][NTf 2 – ])) PIL containing monovalent and divalent copper salts (i.e., [Cu + ][NTf 2 – ] and [Cu 2+ ]2[NTf 2 – ]). The chromatographic retention of alkenes, alkynes, dienes, and aromatic compounds was examined. Incorporation of the [Cu 2+ ]2[NTf 2 – ] salt into a stationary phase comprised of poly(dimethylsiloxane) resulted in strong retention of olefins, while its addition to the [C 6 MIM + ][NTf 2 – ] IL and poly([C 6 VIM + ][NTf 2 – ]) PIL allowed for the interaction strength to be modulated. Olefins exhibited greater affinities toward IL and PIL stationary phases containing the [Cu 2+ ]2[NTf 2 – ] salt compared to those with the [Cu + ][NTf 2 – ] salt. Elimination of water from both copper salts was observed to be an important factor in promoting olefin interactions, as evidenced by increased olefin retention upon exposure of the stationary phases to high temperatures. Furthermore, to evaluate the long-term thermal stability of the stationary phase, chromatographic retention of probes was measured on the [Cu 2+ ]2[NTf 2 – ]/[C 6 MIM + ][NTf 2 – ] IL stationary phase after its exposure to helium at a temperature of 110°C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Enhanced crevice corrosion of stainless steel 316 by degradation of Cr-containing hollandite crevice former

This study explores the corrosion interactions between stainless steel 316 (SS316), a candidate nuclear waste canister material, and Cr-containing hollandite (Ba 1.15 Cr 2.3 Ti 5.7 O 16 ), a model ceramic nuclear waste form. The two materials were corroded in close proximity in 0.6 M NaCl solution at 90 °C for 28 days. Severe crevice corrosion was observed on the stainless steel surface after the corrosion experiment, which is likely associated with the rapid accumulation of Cr 3+ cations originating from both SS316 and the Cr-containing hollandite. Furthermore, the enhanced corrosion of SS316 by the corrosion products of hollandite is quantitatively explained using a classical crevice corrosion model.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Impact of wastewater effluent containing aged nanoparticles and other components on biological activities of the soil microbiome, Arabidopsis plants, and earthworms

Highlights: • First study on impact of reclaimed wastewater effluent on a soil micro-ecosystem. • Presence of nanoparticles and metals were detected in the effluent. • Biomass of microorganisms, plants, and earthworms were not significantly affected. • Arabidopsis thaliana had a noticeable shortened life cycle. • The abundance of Cyanobacteria in effluent irrigated soil was increased by 12.5%. The amount of engineered nanomaterials (ENMs) in the environment has been increasing due to their industrial and commercial applications. Different types of metallic nanoparticles (NPs) have been detected in effluents from wastewater treatment plants (WWTPs). The effluents have been reclaimed for crop irrigation in many arid and semi-arid areas. Here, a soil micro-ecosystem was established including a microbiome, 4 Arabidopsis thaliana plants, and 3 Eisenia fetida earthworms, for a duration of 95 days. The impact of wastewater effluent (WE) containing aged NPs was studied. WE was taken from a local WWTP and exhibited the presence of Ti, Ag, and Zn up to 97.0 ± 9.4, 27.4 ± 3.9, and 4.1 ± 3.6 µg/L, respectively, as well as the presence of nanoscale particles (1–100 nm in diameter). The plants were irrigated with WE or deionized water (DIW). After 95 days, significantly higher concentrations of extractable Ti and Zn (439.2 ± 24.4 and 9.0 ± 0.5 mg/kg, respectively) were found in WE-irrigated soil than those in DIW-irrigated soil (161.2 ± 2.1 and 4.0 ± 0.1 mg/kg). The extractable Ag concentrations did not differ significantly between the WE- and DIW-irrigated soil. Although microbial biomass carbon and nitrogen were not significantly reduced, the population distribution of the microbial communities was shifted in WE-irrigated soil compared to the control. The abundance of cyanobacteria (Cyanophyta) was increased by 12.5% in the WE-irrigated soil as manifested mainly by an increase of Trichodesmium spp., and the abundance of unknown archaea was enhanced from 26.7% in the control to 40.5% in the WE-irrigated soil. The biomasses of A. thaliana and E. fetida were not significantly changed by WE exposure. However, A. thaliana had a noticeable shortened life cycle, and corrected total cell fluorescence was much higher in the roots of WE-irrigated plants compared to the control. These impacts on the soil micro-ecosystem may have resulted from the aged NPs and/or the metal ions released from these NPs, as well as other components in the WE. Taken together, these results should help inform the reuse of WE containing aged NPs and other components in sustainable agriculture.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Anaerobic fungi contain abundant, diverse, and transcriptionally active Long Terminal Repeat retrotransposons

Long Terminal Repeat (LTR) retrotransposons are a class of repetitive elements that are widespread in the genomes of plants and many fungi. LTR retrotransposons have been associated with rapidly evolving gene clusters in plants and virulence factor transfer in fungal-plant parasite-host interactions. We report here the abundance and transcriptional activity of LTR retrotransposons across several species of the early-branching Neocallimastigomycota, otherwise known as the anaerobic gut fungi (AGF). The ubiquity of LTR retrotransposons in these genomes suggests key evolutionary roles in these rumen-dwelling biomass degraders, whose genomes also contain many enzymes that are horizontally transferred from other rumen-dwelling prokaryotes. Up to 10% of anaerobic fungal genomes consist of LTR retrotransposons, and the mapping of sequences from LTR retrotransposons to transcriptomes shows that the majority of clusters are transcribed, with some exhibiting expression greater than 104 reads per kilobase million mapped reads (rpkm). Many LTR retrotransposons are strongly differentially expressed upon heat stress during fungal cultivation, with several exhibiting a nearly three-log10 fold increase in expression, whereas growth substrate variation modulated transcription to a lesser extent. We show that some LTR retrotransposons contain carbohydrate-active enzymes (CAZymes), and the expansion of CAZymes within genomes and among anaerobic fungal species may be linked to retrotransposon activity. We further discuss how these widespread sequences may be a source of promoters and other parts towards the bioengineering of anaerobic fungi.

Genetics & Heredity↗
DOE OSTI2019

Measuring and predicting the vapor pressure of gasoline containing oxygenates

Here, this review describes the measurement and prediction of volatility characteristics, especially Reid vapor pressure, of gasoline blended with oxygenates such as those that could be derived from biomass. Including more advanced biofuels containing oxygen in gasoline affects critical fuel properties related to the volatility of the blended fuel. The vapor pressure of oxygenate-gasoline blends typically exhibits non-ideal behavior requiring updated measurement and prediction tools to ensure the resulting fuel meets all safety and performance specifications. The review discusses the suitability of established methods to measure Reid vapor pressure in blends containing oxygenates. We then survey methods used to predict vapor-liquid equilibria along with a description of suitability of these methods for use on gasoline-oxygenate blends. Lastly, we compare the outputs of a series of models to Reid vapor pressure measurements for a series of oxygenates in a real gasoline to illustrate the potential and shortcomings of the models.

09 BIOMASS FUELS↗
DOE OSTI2017

Martensitic transformation in a B2-containing CuZr-based BMG composite revealed by in situ neutron diffraction

Here, CuZr-based bulk-metallic-glass (BMG) composites reinforced by a B2-type CuZr crystalline-phase (CP) have been widely studied, and exhibit that the plastic deformation of the CP induces martensitic transformation from the B2 to B19', which plays a dominant role in the deformation behavior and mechanical properties. In the present study, 2.0% Co containing CuZr-based BMG composites were investigated using in-situ neutron-diffraction technique. The in-situ neutron-diffraction results reveal the continuous load transfer from the glass matrix to B2 CP and martensitic transformation from the B2 CP to B19' during the deformation of the composite. Moreover, it was found that the martensitic transformation is initiated at the applied stress higher than 1500 MPa, and is significantly suppressed during the deformation, as compared to other 0.5% Co-containing CuZr-based BMG composites. Based on these in-situ neutron-diffraction results, the martensitic transformation is strongly affected by the amount of the addition of Co, which determines the mechanical properties of CP-reinforced BMG composites, such as ductility and hardening capability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantification of active sites in yttrium containing dealuminated Beta zeolites during conversion of ethanol and acetaldehyde to butadiene

Here, in this work, yttrium containing dealuminated Beta zeolites (Y/deAlBeta) were synthesized and characterized by various spectroscopic techniques to improve understanding of ethanol upgrading over these materials. Characterization results indicate yttrium atoms partially condense with framework silanol nests formed during dealumination of parent Al-Beta supports. Active sites for conversion of ethanol and acetaldehyde to butadiene were quantified on a series of Y/deAlBeta catalysts (0.1–10 wt% yttrium) via ex situ chemisorption and transmission Fourier transformed infrared (FTIR) spectroscopy measurements by first measuring the integrated molar extinction coefficient (IMEC) for pyridine bound to Lewis acidic yttrium sites. In situ titrations with pyridine demonstrate that the number of sites quantified by ex situ chemisorption IR is quantitatively similar to the number of sites that catalyze butadiene formation, which varies (from 0.05 to 0.35) across the series of catalysts. In situ pyridine titrations impact butadiene site time yields (STY), but not crotonaldehyde STY, indicating that a distribution of yttrium sites is present, and that discrete yttrium site types participate in distinct steps in the pathway from ethanol to butadiene. Apparent kinetic parameters including activation energies and reaction orders were measured, these suggest differences in reactant (or reactant-derived intermediate) surface coverages result in higher STYs (per mol Y or per Lewis acidic Y site) for samples with low Y loadings relative to those with higher Y loadings. Isotopic labeling experiments evince the existence of other kinetically relevant steps in addition to the crotonaldehyde transformation to crotyl alcohol. Together, these findings provide further guidance into the heterogeneities in site structures in yttrium-containing zeolites and their relevance for the various steps in the pathway from ethanol to C 4 products useful for production of sustainable aviation fuel and renewable butadiene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Surface charge accumulation of particles containing radionuclides in open air

Radioactivity can induce charge accumulation on radioactive particles. But, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. Moreover, a charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify the particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. Our study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Synergic grain boundary segregation and precipitation in W- and W-Mo-containing high-entropy borides

The structures of W- and W-Mo-containing high-entropy borides (HEBs) are systematically studied by combining atomic-resolution transmission electron microscopy imaging, electron diffraction, and chemical analysis. Here, we reveal that W or W-Mo addition in HEBs leads to segregation of these elements to the grain boundaries (GBs). In the meantime, W- or W-Mo-rich precipitates also form along the GBs. Crystallographic analysis and atomic-scale imaging show that the GB precipitates in both W- and W-Mo-containing HEBs have a cube-on-cube orientation relationship with the matrix. With further strain analysis, the coherency of the precipitate/matrix interface is validated. Nanoindentation tests show that the simultaneous GB segregation and coherent precipitation, as a supplement to the grain hardening, provide additional hardening of the HEBs. Our work provides an in-depth understanding of the GB segregation and precipitation behaviors of HEBs. It suggests that GB engineering could be potentially used for optimizing the performance of high-entropy ceramics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Fuel property evaluation of unique fatty acid methyl esters containing β-hydroxy esters from engineered microorganisms

Unique fatty acid methyl esters (FAME) containing ..beta..-hydroxy esters were produced using an engineered microorganism by glucose fermentation. This study investigated the properties of the unique FAME mixture both neat and in blends with conventional diesel, as well as properties of ..beta..-hydroxy esters. The unique FAME blend contained relatively shorter-chain FAME (average fatty acid chain carbon number 14.6) with 58 % monounsaturated fatty acids and 9 % saturated and monounsaturated ..beta..-hydroxy acid chains. The unique FAME had significantly lower distillation T90 (321 °C versus 352 °C) and higher cetane number (56.7 versus 52) compared to soy biodiesel. Cloud points were within method repeatability. Unexpectedly (because of the lack of methylene-interrupted double bonds), the unique FAME had low oxidation stability (1.5 h) as determined by Rancimat induction period. Stability could be improved through addition of commonly used antioxidants. We speculate that monounsaturated ..beta..-hydroxy FAME may be the source of this instability. Blends with conventional diesel up to 50 vol% showed similar kinematic viscosity (within method repeatability) as blends of conventional FAME. The unique FAME had no effect on distillation T90 even at the 80% blend level. A 30 vol% blend into conventional diesel had a Rancimat induction period of only 2 h, very nearly the same as the neat unique FAME sample. The addition of antioxidants produced blends of acceptable stability. Based on an assessment of the properties of individual ..beta..-hydroxy FAME molecules, they have higher boiling point, higher cloud point, lower cetane number, and potentially lower storage stability than analogous FAME not having the ..beta..-hydroxy group. Removing them from the fuel product in the production process may result in a biodiesel product with superior properties to what is on the market today.

09 BIOMASS FUELS↗
DOE OSTI2024

Electrochemical sulfate production from sulfide-containing wastewaters and integration with electrochemical nitrogen recovery

Electrochemical methods can help manage sulfide in wastewater, which poses environmental and health concerns due to its toxicity, malodor, and corrosiveness. In addition, sulfur could be recovered as fertilizer and commodity chemicals from sulfide-containing wastewaters. Wastewater characteristics vary widely among wastewaters; however, it remains unclear how these characteristics affect electrochemical sulfate production. Here, in this study, we evaluated how four characteristics of influent wastewaters (electrolyte pH, composition, sulfide concentration, and buffer strength) affect sulfide removal (sulfide removal rate, sulfide removal efficiency) and sulfate production metrics (sulfate production rate, sulfate production selectivity). We identified that electrolyte pH (3 × difference, i.e., 25.1 to 84.9 μM h –1 in average removal rate within the studied pH range) and sulfide concentration (16 × difference, i.e., 82.1 to 1347.2 μM h –1 in average removal rate) were the most influential factors for electrochemical sulfide removal. Sulfate production was most sensitive to buffer strength (6 × difference, i.e., 4.4 to 27.4 μM h –1 in average production rate) and insensitive to electrolyte composition. Together, these results provide recommendations for the design of wastewater treatment trains and the feasibility of applying electrochemical methods to varying sulfide-containing wastewaters. In addition, we investigated a simultaneous multi-nutrient (sulfur and nitrogen) process that leverages electrochemical stripping to further enhance the versatility and compatibility of electrochemical nutrient recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Stability domain of alumina thermally grown on Fe–Cr–Al-based model alloys and modified surface layers exposed to oxygen-containing molten Pb

The paper gives experimental results concerning the morphology, composition, structure and thickness of the oxide scales grown on Fe–Cr–Al-based bulk alloys during exposure to oxygen-containing molten lead. The results are discussed and compared with former results obtained on Al-containing surface layers, modified by melting with intense pulsed electron beam and exposed to similar conditions. Here, the present and previous results provide the alumina stability domain and also the criterion of the Al/Cr ratio for the formation of a highly protective alumina layer on the surface of Fe–Cr–Al-based alloys and on modified surface layers exposed to molten lead with 10 –6 wt.% oxygen at 400–600 °C. The protective oxide scales, grown on alumina-forming Fe–Cr–Al alloys under the given experimental conditions, were transient aluminas, namely, kappa-Al 2 O 3 and theta-Al 2 O 3 .

14 SOLAR ENERGY↗
DOE OSTI2018

Impact of rare earth ion size on the phase evolution of MoO3-containing aluminoborosilicate glass-ceramics

Transition metal and rare earth cations are important fission products present in used nuclear fuel, which in high concentrations tend to precipitate crystalline phases in vitreous nuclear waste forms. Two phases of particular interest are powellite (CaMoO 4 ) and oxyapatite (Ca 2 RE 8 (SiO 4 ) 6 O 2 ). The glass compositional dependencies controlling crystallization of these phases on cooling from the melt are poorly understood. In the present study, the effect of rare earth identity and modifier cation field strength on powellite and apatite crystallization were studied in a model MoO3-containing alkali/alkaline-earth aluminoborosilicate glass with focus on (1) influence of rare earth cation size (for RE 3+ : Ce, La, Nd, Sm, Er, Yb) and (2) influence of non-framework cations (RE 3+ , Mo 6+ , Na + , Ca 2+ ). Quenched glasses and glass-ceramics (obtained by slow cooling) were characterized by X-ray diffraction (XRD), Raman spectroscopy, X-ray absorption (XAS), and electron probe microanalysis (EPMA). All samples were X-ray amorphous upon quenching, except the Ce-containing composition which crystallized ceria (CeO 2 ), and the sample devoid of any rare earth cations which crystallized powellite (CaMoO 4 ). On heat treatment, powellite and oxyapatite crystallized in the majority of the samples with the former crystallizing in the volume, while the latter on the surface. The EPMA results confirmed a small concentration of boron in the oxyapatite crystal structure. RE cations were incorporated in the glass, as well as in powellite, oxyapatite, and in the case of Yb 3+ , keiviite (Yb 2 Si 2 O 7 ). Raman spectroscopy showed that the primary vibration band for molybdate MoO 4 2- in the glasses was strongly affected by the ionic field strength of the modifying cations (alkali, alkaline earth, and RE), suggesting their proximity to the MoO 4 2- ions in the glass, though the MoO bond length and coordination according to XAS suggested little local change.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Inhomogeneous structural evolution of silver-containing Alpha-MnO2 nanorods in sodium-ion batteries investigated by comparative transmission electron microscopy approach

Alpha-MnO 2 is an attractive cathode candidate for sodium-ion batteries attributed to its unique one-dimensional 2×2 tunnels for facile sodium-ion diffusion, in addition to its incomparable cost advantage. In particular, α-MnO2 shows superior rate capability with silver stabilizing ions at the center of tunnels that improve electrical conductivity. In this work, we directly compare structural transformation of silver-containing α-MnO 2 nanorods (Ag 1.22 Mn 8 O 16-x or L-Ag-HOL and Ag 1.66 Mn 8 O 16-y or H–Ag-HOL), containing higher and lower concentrations of oxygen vacancies respectively, by transmission electron microscopy (TEM). The elaborate comparative and statistical TEM studies eliminate concerns regarding generalization errors and facilitate rational structural development of nanorods with improved functionality. It is found that sodium ions favorably diffuse through the area where oxygen vacancies are concentrated, and the samples with more silver ions and fewer oxygen vacancies (H–Ag-HOL) show more significant structural deformation with more inhomogeneous sodiation. The difference in functional electrochemistry coupled with the observed difference in inter- and intra-nanorod inhomogeneous structural evolution emphasizes the significance of the uniform electrical conductivity of the electrode. This work helps to improve the α-MnO 2 electrode material for sodium-ion batteries as well as suggesting the importance of delicate statistical approaches for TEM investigations.

25 ENERGY STORAGE↗
DOE OSTI2013

Crystal structures and magnetic properties of lanthanide containing borates LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr)

The synthesis, crystal structures and magnetic properties of LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr) were investigated. The LnCr(BO{sub 3}){sub 2} compounds crystallize in the dolomite-type structure with space group R3{sup ¯}, in which the Ln and Cr ions occupy two octahedral sites. From the result of structural analysis, it was found that there is an anti-site disorder between these two sites and its chemical formula is more exactly Ln{sub 1−r}Cr{sub r}[Cr{sub 1−r}Ln{sub r}](BO{sub 3}){sub 2}. On the other hand, the LnSc(BO{sub 3}){sub 2} adopt the calcite-type structure with space group R3{sup ¯}c. The Ln and Sc ions randomly occupy an octahedral site and the chemical formula is represented as (Ln{sub 0.5}Sc{sub 0.5})BO{sub 3}. From the magnetic susceptibility and specific heat measurements, we found that all the LnCr(BO{sub 3}){sub 2} show an antiferromagnetic transition at 6.1–8.1 K. This transition is mainly due to the ordering of Cr{sup 3+} magnetic moments. Among the compounds with magnetic Ln{sup 3+} ions, only YbCr(BO{sub 3}){sub 2} shows an antiferromagnetic ordering of Ln{sup 3+} ion at 2.1 K. - Graphical abstract: The lanthanide containing borates LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr) have the dolomite-type (Ln=Cr) and calcite-type (Ln=Sc) structures. Both structures are similar to each other except for the difference in the partially or fully disordered arrangements of octahedral sites. At low temperatures, the LnCr(BO{sub 3}){sub 2} compounds show an antiferromagnetic transition due to a long-range ordering of Cr{sup 3+} moments. Among them only YbCr(BO{sub 3}){sub 2} shows an antiferromagnetic ordering of Ln{sup 3+} ion at 2.1 K. Display Omitted - Highlights: • Lanthanide containing borates LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr) have been synthesized. • LnCr(BO{sub 3}){sub 2} has the dolomite-type structure with an anti-site disorder between Ln and Cr sites. • LnSc(BO{sub 3}){sub 2} has the calcite-type structure in which the Ln and Cr randomly occupy the same site. • LnCr(BO{sub 3}){sub 2} shows an antiferromagnetic transition at 6.1–8.1 K due to the long-range magnetic ordering of Cr{sup 3+} moments. • Only YbCr(BO{sub 3}){sub 2} shows the two-step antiferromagnetic ordering: Cr{sup 3+} (6.1 K) and Yb{sup 3+} (2.1 K)

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

Antiferromagnetic transitions of osmium-containing rare earth double perovskites Ba{sub 2}LnOsO{sub 6} (Ln=rare earths)

The perovskite-type compounds containing both rare earth and osmium Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm–Lu) have been prepared. Powder X-ray diffraction measurements and Rietveld analysis show that Ln{sup 3+} and Os{sup 5+} ions are structurally ordered at the M site of the perovskite BaMO{sub 3}. Magnetic susceptibility and specific heat measurements show that an antiferromagnetic ordering of Os{sup 5+} ions has been observed for Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm, Eu, Gd, Lu) at 65–71 K. Magnetic ordering of Ln{sup 3+} moments occurs when the temperature is furthermore decreased. - Graphical abstract: The perovskite-type compounds containing both rare earth and osmium Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm–Lu) have been prepared. An antiferromagnetic ordering of Os{sup 5+} ions has been observed for Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm, Eu, Gd, Lu) at 65–71 K. Measurements and analysis of the specific heat for Ba{sub 2}PrOsO{sub 6} show that magnetic ordering of the Pr{sup 3+} moments should have occurred at ∼20 K. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗