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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electronic structures and pseudogap nature of the strongly correlated Kondo semimetals and insulators CeNiSn and CeRhX(X=As, Sb)

Employing temperature (T)-dependent angle-resolved photoemission spectroscopy (ARPES) near the Ce 4d absorption edge, we have investigated the electronic structures of the strongly correlated Kondo insulators (KIs) and/or Kondo semimetals of CeNiSn and CeRhX (X=As, Sb), which also belong to potential topological KIs (TKIs). Good agreement is found between the Fermi surfaces (FSs) measured at the Ce 4d→4f on resonance and those calculated and unfolded into the Ce-only Brillouin zone, supporting the crucial Ce 4f contribution to the Fermi-edge states in them. While the FSs of CeRhSb and CeNiSn are similar to each other, they are quite different from those of CeRhAs, which is understood to originate from the semimetallic Kondo ground states of CeNiSn and CeRhSb in contrast to the insulating Kondo ground state of CeRhAs. T-dependent ARPES demonstrates the existence of the Kondo resonance above the Fermi level (EF) and its T-driven decoherence in CeNiSn and CeRhSb, and the existence of the Ce 4f Kondo-like peak well below EF with a pseudogap in CeRhAs. With increasing T, the tail of the Kondo resonance in CeNiSn and CeRhSb loses its coherence, whereas the Ce 4f Kondo-like peak in CeRhAs persists up to T≥200 K. The Kondo temperatures (TKs) are estimated via the analysis of T-dependent ARPES, yielding TK≈80 K (CeNiSn), TK≈180 K (CeRhSb), and TK≫200 K (CeRhAs). High-resolution, low-T ARPES confirms the Kondo resonance just above EF in CeNiSn and CeRhSb Kondo semimetals and the KI ground state of CeRhAs with a pseudogap of Δ≈30 meV, demonstrating the importance of the coherent Kondo states in determining their potential topological properties. The differences in the T-dependent ARPES of CeNiSn and CeRhSb suggest the weaker f-c hybridization in CeNiSn than in CeRhSb (c: conduction electron), which is likely due to the more localized Ni 3d orbitals than the delocalized Rh 4d orbitals. The differences between the T-dependent ARPES of CeNiSn/CeRhSb Kondo semimetals and those of CeRhAs Kondo insulator are likely due to the smaller volume of CeRhAs than those of CeNiSn/CeRhSb.

Kang, J-S↗
DOE OSTI2022

Inelastic Neutron Scattering Data for FeSn

Inelastic neutron scattering data from FeSn collected with the SEQUOIA spectrometer at the Spallation Neutron Source located at Oak Ridge National Laboratory. A 4.43 g sample of FeSn was used for the measurements as described in doi: https://doi.org/10.1103/PhysRevB.105.L180403 and the associated supplemental information. The data were collected with an incident energy of 500 meV. The Fermi chopper frequency was 480 Hz, which provides a resolution of 38.2 meV (FWHM) for elastic scattering. Additional details are available in https://doi.org/10.1103/PhysRevB.105.L180403 and the associated supplemental information. The data may be viewed and analyzed with the software packages Mantid (http://dx.doi.org/10.5286/SOFTWARE/MANTID) and Dave (doi: 10.6028/jres.114.025). Sample angles measured: -20 deg to 20 deg and 160 deg to 200 deg where 0 deg is defined for ki//c* Sample Orientation vectors: ‘u': '-0.0032, 0.0201, -1.0' ‘v': '-1.0, 0.0278, -0.0059'

Inelastic Neutron Scattering↗
DOE OSTI2021

Hemicellulose and starch citrate chitosan foam adsorbents for removal of arsenic and other heavy metals from contaminated water

Arsenic and other heavy metal contaminants in water are a significant global health threat. In this study, low-cost, sulfur-free, sustainable, water-insoluble materials with heavy metal remediation properties were produced from renewable resources such as starch, xylan, citric acid, and chitosan. Synthesized starch citrate-chitosan (SCC) foam and xylan citrate-chitosan (XCC) foam were flexible, porous, and elastic. The foams’ arsenic uptake in water was significantly greater than five different commercial metal remediating agents. The mercury and lead uptakes with the synthesized foams were similar to the performance of a commercial sulfur-based product, SorbaTech 450 (ST450). However, the cadmium and selenium uptakes were comparatively lower. The complexation of arsenic with oxygen and nitrogen of the SCC foam was shown with time-of-flight secondary ion mass spectrometry (TOF-SIMS). The XCC foam was also shown to adsorb potassium iodide (KI) at a similar rate to sodium chloride. This may be used to remediate water contaminated with radioactive materials, such as iodine 131.

Materials Science↗
DOE OSTI2023

Novel method of recycling perovskite solar cells using iodide solutions

A novel recycling method utilizing aqueous iodide solutions has shown promise at selectively dissolving lead perovskite and preserving the glass substrate of lead perovskite solar cells (PSCs). Perovskite compounds are notorious for degrading upon contact with moisture into lead iodide which can be capitalized upon for recycling. When iodide ions reach a critical concentration in aqueous solutions, the solubility of lead iodide begins to rapidly increase as several complex ions are formed. Iodide solutions selectively interact with the perovskite material which dissolves from the edge inwards, allowing for exfoliation of the back contact and retention of the glass substrate and electron transport layer. PbI 2 solubility studies using KI, HI, and NH 4 I were conducted to determine an effective iodide source to develop a scalable recycling process. Further, retaining the coated glass substrate intact preserves the possibility to manufacture new solar cells from the same materials, by also omitting the use of organic solvents the costs as well as the human and environmental hazards of recycling PSCs can be minimized.

14 SOLAR ENERGY↗
DOE OSTI2020

Engineering of Lead Selenide Quantum Dot Based Devices and Core/Shell Heterostructures

Near infrared (NIR) emitting colloidal quantum dots (QDs) such as PbSe are interesting materials for implementation in various optoelectronic devices such as solar cells, photodetectors, and radiation detectors. Material properties like size tunable emission wavelengths, facile solution processability, the possibility of carrier multiplication and Auger assisted up-conversion, and high Z number provide PbSe QDs with unique advantages over many currently available commercial materials used in these devices. In this dissertation, after an introduction to QDs in general, we first focus on synthesis of PbSe-based heterostructured QDs for study via optical spectroscopy. PbSe/CdSe QDs synthesized via cation exchange reaction were used as seeds to study the proper conditions for further CdSe or CdS shell growth. Optical spectroscopy studies show that growth of thicker CdSe shells leads to tunable visible emission, while growth of thick CdS shells can greatly increase the photoluminescence quantum yield (PLQY) observed from the intermediate CdSe shell. NIR PL lifetimes can be greatly enhanced by the growth of CdS shells, due to strong delocalization of the hole wavefunction within the PbSe core, while the electron is delocalized throughout the QD including in the CdS shell, resulting in radiative lifetimes in the tens of microseconds. Two pulse delay measurements show that Auger assisted up conversion is also taking place in these engineered QD dot heterostructures. In the sections that follow, we look at QD devices, first with a focus on novel devices fabricated from PbSe QDs, using an amine synthesis method that allows for facile in-solution ligand exchange. QD film mobilities are measured for PbSe QDs capped with various short ionic ligands. Carrier densities in PbSe QD films are calculated from C-V measurements, showing for the first time that carrier densities can be modulated by simply changing the capping ligand. vii Radiation detectors utilizing PbSe QDs capped with KI and NH4I ligands show tangible response to incident alpha radiation. Current output response to alpha radiation is dependent on strength of radiation source and amount of bias voltage applied. In the final section a critical review of hybrid layered 2D-QD photodetectors is presented. In a typical example, PbSe and PbS QDs act as the absorbing layer in phototransistor devices which utilize layered 2D materials such as graphene and transition metal dichalcogenides as transport layers. Resulting devices display high gains and improved directivities compared to QD only and 2D only devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Making Wireless Power Matter (CRADA Final Report)

The Resonant Link project team investigated the integration of their novel, self-resonant magnetic structure for electromagnetic coils into inductive wireless power transfer systems. Relative to conventional wireless power coils, their multi-layer self-resonant structure (the “MSRS”) reduces losses by up to 6x and lowers to BOM cost by up to 10x. These power-dense, cost-effective coils are a promising path towards the first value-add wireless power systems in a variety of applications, from phones to medical devices to kitchen appliances to mobile robots to electric vehicles. The researchers explored development of the power electronics for wireless power transfer systems using the multi-layer self-resonant structure (MSRS) concept that efficiently transmits power over air gaps for in-home applications, including through-wall power transfer, appliances built around the Ki and Qi standards, and other potential use cases This project specifically focused on the power electronics design, development, and testing for these applications. Resonant Link’s proprietary wireless power technology holds the promise of matching the performance of wired chargers in size and efficiency, especially when operated from a DC distribution grid.

42 ENGINEERING↗
DOE OSTI2024

Characterization of Humanized Mouse Model of Organophosphate Poisoning and Detection of Countermeasures via MALDI-MSI

Organophosphoate (OP) chemicals are known to inhibit the enzyme acetylcholinesterase (AChE). Studying OP poisoning is difficult because common small animal research models have serum carboxylesterase, which contributes to animals’ resistance to OP poisoning. Historically, guinea pigs have been used for this research; however, a novel genetically modified mouse strain (KIKO) was developed with nonfunctional serum carboxylase (Es1 KO) and an altered acetylcholinesterase (AChE) gene, which expresses the amino acid sequence of the human form of the same protein (AChE KI). KIKO mice were injected with 1xLD50 of an OP nerve agent or vehicle control with or without atropine. After one to three minutes, animals were injected with 35 mg/kg of the currently fielded Reactivator countermeasure for OP poisoning. Postmortem brains were imaged on a Bruker RapifleX ToF/ToF instrument. Data confirmed the presence of increased acetylcholine in OP-exposed animals, regardless of treatment or atropine status. More interestingly, we detected a small amount of Reactivator within the brain of both exposed and unexposed animals; it is currently debated if reactivators can cross the blood–brain barrier. Further, we were able to simultaneously image acetylcholine, the primary affected neurotransmitter, as well as determine the location of both Reactivator and acetylcholine in the brain. This study, which utilized sensitive MALDI-MSI methods, characterized KIKO mice as a functional model for OP countermeasure development.

2-PAM↗
NASA NTRS1972

Plane elastostatic analysis of V-notched plates.

Solutions are given for several plane elastostatic problems of plates having a V-notch on one edge, and subjected to a variety of boundary conditions. The effect of the magnitude of the V-notch angle and specimen geometry on stress intensity factors KI and KII are obtained for unloaded notch surfaces. There is less than one per cent difference in opening model stress intensity factor in going from a zero degree notch angle to a 30 degree notch angle. Notch opening displacements at the plate edge were measured experimentally, and the results obtained were in excellent agreement with the computed results.

Gross, B.↗
NASA NTRS1972

Electrochemical approach for passivating steel and other metals and for the simultaneous production of a biocide to render water potable

Potentiostatic polarization curves indicated that the cathodic reactions in deaerated KI-I2 water solutions were due to iodine reduction and hydrogen evolution. In the presence of oxygen an additional reduction wave appeared. Anodic polarization curves revealed that iodine could be produced in the region of potential from +600 to +1000 nv vs. SCE.

Source record↗
NASA NTRS1977

Crack border stress and displacement equations revisited

It is more or less accepted in fracture mechanics that the elastic stress and displacements very near to the tip of a plane line crack can be approximated with sufficient accuracy, for all geometries and outer boundary loading conditions, by a one-parameter representation, i.e., strictly in terms of the stress intensity factors KI and/or KII. It is shown here that this presumption which appears to be reasonable on face value, quantitatively speaking, is nevertheless unacceptable as a general proposition. The reason lies with the quite arbitrary practice of omitting the second term of the series representation for the stresses, a contribution which is independent of distance from the crack tip. It is not difficult to show by way of specific examples how such omission can lead to error of serious qualitative nature in the prediction of stress and displacement related quantities of interest.

Eftis, J.↗
NASA NTRS1978

An analysis of delamination in angle-ply fiber reinforced composites

An analytical investigation of the mechanics and failure modes of delamination initiated from a service-induced surface flaw in angle-ply fiber reinforced composites is presented. The analysis employs a hybrid-stress finite element method including a crack-tip singular element with its field variables expressed by Muskhelishvili's complex stress functions. Solutions are obtained for delaminated composites with various laminate parameters. The results elucidate unique and important characteristics of delamination crack-tip response and interlaminar stress transfer mechanisms. Of particular interest are the mixed-mode stress intensity factors associated with the delamination crack. The influence of ply orientation on KI and KII and their effects on subsequent crack extension are discussed.

Wang, S. S.↗
NASA NTRS1980

An analysis of delamination in angle-ply fiber-reinforced composites

A study of the mechanics and failure modes of delamination initiated from a surface flaw in angle-ply fiber-reinforced composites is presented. The analysis employs a hybrid-stress finite-element method including a crack-tip singular element with its field variables expressed by Muskhelishvili's complex stress functions. Solutions are obtained for the delaminated composites with various laminate parameters. The results elucidate unique and important characteristics of delamination crack-tip response and interlaminar stress transfer mechanisms. Of particular interest are the mixed-mode stress-intensity factors associated with the delamination crack. The influence of ply orientation on KI and KII and their effects on subsequent crack extension are discussed.

Wang, S. S.↗
NASA NTRS1981

I-Xe dating - Intercomparisons of neutron irradiations and reproducibility of the Bjurbole standard

Previously unpublished data from the stepwise heating analysis of the Valecitos 1 (V1) Bjurbole standard are presented together with the results of an isotopic dilution measurement of a KI monitor included in the V1 irradiation package. The results of these analyses are compared with the values observed in other irradiations. Apparent I-Xe 'formation' ages are reproducible for three different samples of Bjurbole, suggesting isotopic homogeneity for initial iodine in the bulk material. The systematics of neutron capture in Xe-135 (produced from U-235 neutron fission) are examined and verified in irradiated BCR-1.

Hohenberg, C. M.↗
NASA NTRS1981

Photoproduction of I2, Br2, and Cl2 on n-semiconducting powder

The photosynthetic production of Br2 and Cl2 and the photocatalytic production of I2 from aqueous solutions of the respective halide ions in the presence of platinized semiconducting n-TiO2 powder are reported. Reactions were produced in 2-3 M oxygen-saturated aqueous solutions of KI, KBr or NaCl containing Pt-TiO2 powder which were irradiated by a high-pressure mercury lamp at a power of 400 mW/sq cm. Halogens are found to be produced in greater quantities when platinized TiO2 powders are used rather than pure TiO2, and rates of halogen production are observed to increase from Cl2 to Br2 to I2. The presence of the synthetic reactions producing Br2 and Cl2 with a net influx of energy indicates that an effective separation of the photoproduced electron-hole pair occurs in the semiconductor. Quantum efficiencies of the reaction, which increase with decreasing solution pH, are found to be as high as 30%, implying a solar-to-chemical energy conversion efficiency between 0.03% and 3% for the case of chlorine production. It is concluded that the photoproduction of halogens may be of practical value if product halogens are efficiently removed from the reaction cell.

Reichman, B.↗
NASA NTRS1983

Fracture mechanics for delamination problems in composite materials

A fracture mechanics approach to the well-known delamination problem in composite materials is presented. Based on the theory of anisotropic laminate elasticity and interlaminar fracture mechanics concepts, the composite delamination problem is formulated and solved. The exact order of the delamination crack-tip stress singularity is determined. Asymptotic stress and displacement fields for an interlaminar crack are obtained. Fracture mechanics parameters such as mixed-mode stress intensity factors, KI, KII, KIII, and the energy release rate, G, for composite delamination problems are defined. To illustrate the fundamental nature of the delamination crack behavior, solutions for edge-delaminated graphite-epoxy composites under uniform axial extension are presented. Effects of fiber orientation, ply thickness, and delamination length on the interlaminar fracture are examined.

Wang, S. S.↗
NASA NTRS1983

Extinction of in-flight engine fuel-leak fires with dry chemicals

The dry chemicals discussed here are seen as having a greater weight effectiveness than the halons in current use for controlling fuel-leak fires, especially in the presence of high airflow rates. The commercial dry chemicals K2CO3, KHCO3, and KC2N2H3O3 are found to be more effective than CF2ClBr and CF3Br in delaying the hot-surface reignition of fuel-leak fires after initial extinguishment. Experimental dry chemical formulations of potassium dawsonite, KAl(OH)2CO3, and of KCl and KI are seen as being even more weight effective than the above-mentioned commercial dry chemicals. It is noted, however, that the suitability and effectiveness of dry chemicals in controlling engine nacele fires has not yet been demonstrated in test aircraft.

Altman, R. L.↗
NASA NTRS1985

High dispersion observations of Epsilon Aur from Sept. 1982 to March 1983

Between September 1982 and March 1983 I obtained high dispersion spectra of epsilon Aur in selected regions using the Palomar 200-inch coude spectrograph and the Dominion Astrophysical Observatory 48-coude spectrograph. All spectra were taken with the 90-mm ITT image tube and IIa-D emulsion. Radial velocities are listed for the sodium D lines, KI lines, H alpha, and a few other features. While most of the sodium and potassium features are surely circumstellar there is certainly an interstellar component present. In the direction of epsilon Aur interstellar gas is seen mostly with radial velocities between +5 and +10 km s(-1). The sodium D lines and potassium lines show incipient resolution which may involve the interstellar components. The equivalent widths of the sodium and potassium lines are given. For potassium, blending with atmospheric O2 makes the line at lambda 7664 unmeasurable on the dates of these observations. The increase in equivalent widths already noted by Pathasarathy and Lambert is evident. Blending and partial resolution of the circumstellar and interstellar features may account for much of the velocity structure which is only partially discernable at the available resolution.

Wallterstein, G.↗
NASA NTRS1985

Dicyclohexylcarbodiimide-sensitive ATPase in Halobacterium saccharovorum

Membranes from Halobacterium saccharovorum contained a cryptic ATPase which required Mg(2+) or Mn(2+) and was activated by Triton X-100. The optimal pH for ATP hydrolysis was 9-10. ATP or GTP were hydrolyzed at the same rate while ITP, CTP, and UTP were hydrolyzed at about half that rate. The products of ATP hydrolysis were ADP and phosphate. The ATPase required high concentrations (3.5 M) of NaCl for maximum activity. ADP was a competitive inhibitor of the activity, with an apparent Ki of 50 micro-M. Dicyclohexylcarbodiimide (DCCD) inhibited ATP hydrolysis. The inhibition was marginal at the optimum pH of the enzyme. When the ATPase was preincubated with DCCD at varying pH values, but assayed at the optimal pH for activity, DCCD inhibition was observed to increase with increasing acidity of the preincubation medium. DCCD inhibition was also dependent on time of preincubation, and protein and DCCD concentrations. When preincubated at pH 6.0 for 4 h at a protein:DCCD ratio of 40 (w/w), ATPase activity was inhibited 90 percent.

Kristjansson, H.↗