Development of a laser Doppler displacement encoder system with ultra-low-noise-level for linear displacement measurement with subnanometer resolution - Final CRADA Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shu, Deming

An U.S. DOE Cooperative Research and Development Agreement (CRADA) between ANL and Optodyne, Inc. has been established to develop a prototype laser Doppler displacement encoder system with ultra-low noise level for linear measurements to sub-nanometer resolution for synchrotron radiation applications. We have improved the heterodyne efficiency and reduced the detector shot noises by proper shielding and adding a low-pass filter. The laser Doppler displacement encoder system prototype demonstrated a ~ 1 nm system output noise floor with single reflection optics. With multiple-pass optical arrangement, 0.1 nm scale closed-loop feedback control is achieved.

Rapid Water Permeation Through Carbon Nanomembranes with Sub-Nanometer Channels.

PubMed

Yang, Yang; Dementyev, Petr; Biere, Niklas; Emmrich, Daniel; Stohmann, Patrick; Korzetz, Riko; Zhang, Xianghui; Beyer, André; Koch, Sascha; Anselmetti, Dario; Gölzhäuser, Armin

2018-05-22

The provision of clean water is a global challenge, and membrane filtration is a key technology to address it. Conventional filtration membranes are constrained by a trade-off between permeance and selectivity. Recently, some nanostructured membranes demonstrated the ability to overcome this limitation by utilizing well-defined carbon nanoconduits that allow a coordinated passage of water molecules. The fabrication of these materials is still very challenging, but their performance inspires research toward nanofabricated membranes. This study reports on molecularly thin membranes with sub-nanometer channels that combine high water selectivity with an exceptionally high permeance. Carbon nanomembranes (CNMs) of ∼1.2 nm thickness are fabricated from terphenylthiol (TPT) monolayers. Scanning probe microscopy and transport measurements reveal that TPT CNMs consist of a dense network of sub-nanometer channels that efficiently block the passage of most gases and liquids. However, water passes through with an extremely high permeance of ∼1.1 × 10 -4 mol·m -2 ·s -1 ·Pa -1 , as does helium, but with a ∼ 2500 times lower flux. Assuming all channels in a TPT CNM are active in mass transport, we find a single-channel permeation of ∼66 water molecules·s -1 ·Pa -1 . This suggests that water molecules translocate fast and cooperatively through the sub-nanometer channels, similar to carbon nanotubes and membrane proteins (aquaporins). CNMs are thus scalable two-dimensional sieves that can be utilized toward energy-efficient water purification.

Continuous and dynamic spectral tuning of single nanowire lasers with subnanometer resolution using hydrostatic pressure

DOE PAGES

Liu, Sheng; Li, Changyi; Figiel, Jeffrey J.; ...

2015-04-27

In this paper, we report continuous, dynamic, reversible, and widely tunable lasing from 367 to 337 nm from single GaN nanowires (NWs) by applying hydrostatic pressure up to ~7 GPa. The GaN NW lasers, with heights of 4–5 μm and diameters ~140 nm, are fabricated using a lithographically defined two-step top-down technique. The wavelength tuning is caused by an increasing Γ direct bandgap of GaN with increasing pressure and is precisely controllable to subnanometer resolution. The observed pressure coefficients of the NWs are ~40% larger compared with GaN microstructures fabricated from the same material or from reported bulk GaN values,more » revealing a nanoscale-related effect that significantly enhances the tuning range using this approach. Finally, this approach can be generally applied to other semiconductor NW lasers to potentially achieve full spectral coverage from the UV to IR.« less

Selective Permeability of Uranyl Peroxide Nanocages to Different Alkali Ions: Influences from Surface Pores and Hydration Shells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Yunyi; Haso, Fadi; Szymanowski, Jennifer E. S.

2015-11-16

The precise guidance to different ions across the biological channels is essential for many biological processes. An artificial nanopore system will facilitate the study of the ion-transport mechanism through nanosized channels and offer new views for designing nanodevices. Herein we reveal that a 2.5 nm-sized, fullerene-shaped molecular cluster Li48+mK12(OH)m[UO2(O2)(OH)]60-(H2O)n (m≈20 and n≈310) (U60) shows selective permeability to different alkali ions. The subnanometer pores on the water–ligand-rich surface of U60 are able to block Rb+ and Cs+ ions from passing through, while allowing Na+ and K+ ions, which possess larger hydrated sizes, to enter the interior space of U60. An interestinglymore » high entropy gain during the binding process between U60 and alkali ions suggests that the hydration shells of Na+/K+ and U60 are damaged during the interaction. The ion selectivity of U60 is greatly influenced by both the morphologies of the surface nanopores and the dynamics of the hydration shells.« less

Spinel Ferrite Core–Shell Nanostructures by a Versatile Solvothermal Seed-Mediated Growth Approach and Study of Their Nanointerfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanna Angotzi, Marco; Musinu, Anna; Mameli, Valentina

An easy, low-cost, repeatable seed-mediated growth approach in solvothermal condition has been proposed to synthesize bimagnetic spinel ferrite core–shell heterostructures in the 10–20 nm particle size range. Cobalt ferrite and manganese ferrite nanoparticles (CoFe 2O 4 and MnFe 2O 4) have been coated with isostructural spinel ferrites like maghemite/magnetite, MnFe 2O 4, and CoFe 2O 4 with similar cell parameters to create different heterostructures. The conventional study of the structure, morphology, and composition has been combined with advanced techniques in order to achieve details on the interface at the nanoscale level. Clear evidence of the heterostructure formation have been obtainedmore » (i) indirectly by comparing the 57Fe Mössbauer spectra of the core–shell samples and an ad hoc mechanical mixture and (ii) directly by mapping the nanoparticles’ chemical composition by electron energy loss spectroscopy (EELS) and energy-dispersive X-ray spectroscopy (EDX) in the scanning transmission electron microscopy mode (STEM). Additionally, chemical-sensitive electron tomography in STEM-EDX mode has been applied in order to obtain detailed 3D images with a sub-nanometer spatial resolution.« less

Spinel Ferrite Core–Shell Nanostructures by a Versatile Solvothermal Seed-Mediated Growth Approach and Study of Their Nanointerfaces

DOE PAGES

Sanna Angotzi, Marco; Musinu, Anna; Mameli, Valentina; ...

2017-07-23

An easy, low-cost, repeatable seed-mediated growth approach in solvothermal condition has been proposed to synthesize bimagnetic spinel ferrite core–shell heterostructures in the 10–20 nm particle size range. Cobalt ferrite and manganese ferrite nanoparticles (CoFe 2O 4 and MnFe 2O 4) have been coated with isostructural spinel ferrites like maghemite/magnetite, MnFe 2O 4, and CoFe 2O 4 with similar cell parameters to create different heterostructures. The conventional study of the structure, morphology, and composition has been combined with advanced techniques in order to achieve details on the interface at the nanoscale level. Clear evidence of the heterostructure formation have been obtainedmore » (i) indirectly by comparing the 57Fe Mössbauer spectra of the core–shell samples and an ad hoc mechanical mixture and (ii) directly by mapping the nanoparticles’ chemical composition by electron energy loss spectroscopy (EELS) and energy-dispersive X-ray spectroscopy (EDX) in the scanning transmission electron microscopy mode (STEM). Additionally, chemical-sensitive electron tomography in STEM-EDX mode has been applied in order to obtain detailed 3D images with a sub-nanometer spatial resolution.« less

Detecting Intramolecular Conformational Dynamics of Single Molecules in Short Distance Range with Sub-Nanometer Sensitivity

PubMed Central

Zhou, Ruobo; Kunzelmann, Simone; Webb, Martin R.; Ha, Taekjip

2011-01-01

Single molecule detection is useful for characterizing nanoscale objects such as biological macromolecules, nano-particles and nano-devices with nano-meter spatial resolution. Fluorescence resonance energy transfer (FRET) is widely used as a single-molecule assay to monitor intramolecular dynamics in the distance range of 3–8 nm. Here we demonstrate that self-quenching of two rhodamine derivatives can be used to detect small conformational dynamics corresponding to sub-nanometer distance changes in a FRET-insensitive short range at the single molecule level. A ParM protein mutant labeled with two rhodamines works as a single molecule ADP sensor which has 20 times brighter fluorescence signal in the ADP bound state than the unbound state. Single molecule time trajectories show discrete transitions between fluorescence on and off states that can be directly ascribed to ADP binding and dissociation events. The conformational changes observed with 20:1 contrast are only 0.5 nm in magnitude and are between crystallographic distances of 1.6 nm and 2.1 nm, demonstrating exquisite sensitivity to short distance scale changes. The systems also allowed us to gain information on the photophysics of self-quenching induced by rhodamine stacking: (1) photobleaching of either of the two rhodamines eliminates quenching of the other rhodamine fluorophore and (2) photobleaching from the highly quenched, stacked state is only two-fold slower than from the unstacked state. PMID:22023515

Multistep hierarchical self-assembly of chiral nanopore arrays

PubMed Central

Kim, Hanim; Lee, Sunhee; Shin, Tae Joo; Korblova, Eva; Walba, David M.; Clark, Noel A.; Lee, Sang Bok; Yoon, Dong Ki

2014-01-01

A series of simple hierarchical self-assembly steps achieve self-organization from the centimeter to the subnanometer-length scales in the form of square-centimeter arrays of linear nanopores, each one having a single chiral helical nanofilament of large internal surface area and interfacial interactions based on chiral crystalline molecular arrangements. PMID:25246585

Subnanometer Molybdenum Sulfide on Carbon Nanotubes as a Highly Active and Stable Electrocatalyst for Hydrogen Evolution Reaction.

PubMed

Li, Ping; Yang, Zhi; Shen, Juanxia; Nie, Huagui; Cai, Qiran; Li, Luhua; Ge, Mengzhan; Gu, Cancan; Chen, Xi'an; Yang, Keqin; Zhang, Lijie; Chen, Ying; Huang, Shaoming

2016-02-10

Electrochemically splitting water for hydrogen evolution reaction (HER) has been viewed as a promising approach to produce renewable and clean hydrogen energy. However, searching for cheap and efficient HER electrocatalysts to replace the currently used Pt-based catalysts remains an urgent task. Herein, we develop a one-step carbon nanotube (CNT) assisted synthesis strategy with CNTs' strong adsorbability to mediate the growth of subnanometer-sized MoS(x) on CNTs. The subnanometer MoS(x)-CNT hybrids achieve a low overpotential of 106 mV at 10 mA cm(-2), a small Tafel slope of 37 mV per decade, and an unprecedentedly high turnover frequency value of 18.84 s(-1) at η = 200 mV among all reported non-Pt catalysts in acidic conditions. The superior performance of the hybrid catalysts benefits from the presence of a higher number of active sites and the abundant exposure of unsaturated S atoms rooted in the subnanometer structure, demonstrating a new class of subnanometer-scale catalysts.

Platinum-Based Nanocages with Subnanometer-Thick Walls and Well-Defined Facets

DOE PAGES

Zhang, Lei; Wang, Xue; Chi, Miaofang; ...

2015-07-24

A cost-effective catalyst should have a high dispersion of the active atoms, together with a controllable surface structure for the optimization of activity, selectivity, or both. We fabricated nanocages by depositing a few atomic layers of platinum (Pt) as conformal shells on palladium (Pd) nanocrystals with well-defined facets and then etching away the Pd templates. Density functional theory calculations suggest that the etching is initiated via a mechanism that involves the formation of vacancies through the removal of Pd atoms incorporated into the outermost layer during the deposition of Pt. With the use of Pd nanoscale cubes and octahedra asmore » templates, we obtained Pt cubic and octahedral nanocages enclosed by {100} and {111} facets, respectively, which exhibited distinctive catalytic activities toward oxygen reduction.« less

Imaging single cells in a beam of live cyanobacteria with an X-ray laser.

PubMed

van der Schot, Gijs; Svenda, Martin; Maia, Filipe R N C; Hantke, Max; DePonte, Daniel P; Seibert, M Marvin; Aquila, Andrew; Schulz, Joachim; Kirian, Richard; Liang, Mengning; Stellato, Francesco; Iwan, Bianca; Andreasson, Jakob; Timneanu, Nicusor; Westphal, Daniel; Almeida, F Nunes; Odic, Dusko; Hasse, Dirk; Carlsson, Gunilla H; Larsson, Daniel S D; Barty, Anton; Martin, Andrew V; Schorb, Sebastian; Bostedt, Christoph; Bozek, John D; Rolles, Daniel; Rudenko, Artem; Epp, Sascha; Foucar, Lutz; Rudek, Benedikt; Hartmann, Robert; Kimmel, Nils; Holl, Peter; Englert, Lars; Duane Loh, Ne-Te; Chapman, Henry N; Andersson, Inger; Hajdu, Janos; Ekeberg, Tomas

2015-02-11

There exists a conspicuous gap of knowledge about the organization of life at mesoscopic levels. Ultra-fast coherent diffractive imaging with X-ray free-electron lasers can probe structures at the relevant length scales and may reach sub-nanometer resolution on micron-sized living cells. Here we show that we can introduce a beam of aerosolised cyanobacteria into the focus of the Linac Coherent Light Source and record diffraction patterns from individual living cells at very low noise levels and at high hit ratios. We obtain two-dimensional projection images directly from the diffraction patterns, and present the results as synthetic X-ray Nomarski images calculated from the complex-valued reconstructions. We further demonstrate that it is possible to record diffraction data to nanometer resolution on live cells with X-ray lasers. Extension to sub-nanometer resolution is within reach, although improvements in pulse parameters and X-ray area detectors will be necessary to unlock this potential.

In-Plane Multimagnetron Approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Grant E.; Laskin, Julia

2017-04-01

Nanoparticles (NPs) and sub-nanometer clusters containing controlled amounts of different atoms are of interest for a variety of potential applications including catalysis,1, 2 optics,3, 4 magnetics,5-7 sensors,8, 9 and biotheraputics.10, 11 Alloy NPs may possess enhanced physical and chemical properties compared to single metal species due to the additional interplay between their different elemental components. By reducing the quantity of expensive precious metals in alloy NPs by substituting cheaper base metals, it may also be possible to achieve equivalent or even superior performance to pure noble metal NPs for applications such as heterogeneous catalysis at substantially reduced material costs.12 Inmore » addition, alloying of elements that are immiscible in bulk form is possible in NPs because the enthalpy of mixing decreases and becomes negative at small particle sizes.13, 14 As a result, a substantially broader array of alloy species may be generated in the form of NPs and sub-nanometer clusters.« less

Depth-resolved dual-beamlet vibrometry based on Fourier domain low coherence interferometry

PubMed Central

Choudhury, Niloy; Chen, Fangyi; Wang, Ruikang K.; Jacques, Steven L.; Nuttall, Alfred L.

2013-01-01

Abstract. We present an optical vibrometer based on delay-encoded, dual-beamlet phase-sensitive Fourier domain interferometric system to provide depth-resolved subnanometer scale vibration information from scattering biological specimens. System characterization, calibration, and preliminary vibrometry with biological specimens were performed. The proposed system has the potential to provide both amplitude and direction of vibration of tissue microstructures on a single two-dimensional plane. PMID:23455961

Probing Gap Plasmons Down to Subnanometer Scales Using Collapsible Nanofingers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Boxiang; Yao, Yuhan; Groenewald, Roelof E.

Gap plasmonic nanostructures are of great interest due to their ability to concentrate light into small volumes. Theoretical studies, considering quantum mechanical effects, have predicted the optimal spatial gap between adjacent nanoparticles to be in the subnanometer regime in order to achieve the strongest possible field enhancement. In this paper, we present a technology to fabricate gap plasmonic structures with subnanometer resolution, high reliability, and high throughput using collapsible nanofingers. This approach enables us to systematically investigate the effects of gap size and tunneling barrier height. Finally, the experimental results are consistent with previous findings as well as with amore » straightforward theoretical model that is presented here.« less

Probing Gap Plasmons Down to Subnanometer Scales Using Collapsible Nanofingers

DOE PAGES

Song, Boxiang; Yao, Yuhan; Groenewald, Roelof E.; ...

2017-06-09

Gap plasmonic nanostructures are of great interest due to their ability to concentrate light into small volumes. Theoretical studies, considering quantum mechanical effects, have predicted the optimal spatial gap between adjacent nanoparticles to be in the subnanometer regime in order to achieve the strongest possible field enhancement. In this paper, we present a technology to fabricate gap plasmonic structures with subnanometer resolution, high reliability, and high throughput using collapsible nanofingers. This approach enables us to systematically investigate the effects of gap size and tunneling barrier height. Finally, the experimental results are consistent with previous findings as well as with amore » straightforward theoretical model that is presented here.« less

Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bayram, Ercan; Linehan, John C.; Fulton, John L.

2011-11-23

Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being amore » 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions. The results are also of fundamental interest in that they add to a growing body of evidence indicating that certain, appropriately ligated, coordinatively unsaturated, subnanometer M4 transition-metal clusters can be relatively robust catalysts. Also demonstrated herein is that Rh4 clusters are poisoned by Hg(0), demonstrating for the first time that the classic Hg(0) poisoning test of 'homogeneous' vs 'heterogeneous'catalysts cannot distinguish Rh4-based subnanometer catalysts from Rh(0)n nanoparticle catalysts, at least for the present examples of these two specific, Rh-based catalysts.« less

Frequency noise suppression of a single mode laser with an unbalanced fiber interferometer for subnanometer interferometry.

PubMed

Šmíd, Radek; Čížek, Martin; Mikel, Břetislav; Číp, Ondřej

2015-01-12

We present a method of noise suppression of laser diodes by an unbalanced Michelson fiber interferometer. The unstabilized laser source is represented by compact planar waveguide external cavity laser module, ORIONTM (Redfern Integrated Optics, Inc.), working at 1540.57 nm with a 1.5-kHz linewidth. We built up the unbalanced Michelson interferometer with a 2.09 km-long arm based on the standard telecommunication single-mode fiber (SMF-28) spool to suppress the frequency noise by the servo-loop control by 20 dB to 40 dB within the Fourier frequency range, remaining the tuning range of the laser frequency.

Nanoposition sensors with superior linear response to position and unlimited travel ranges

NASA Astrophysics Data System (ADS)

Lee, Sheng-Chiang; Peters, Randall D.

2009-04-01

With the advancement in nanotechnology, the ability of positioning/measuring at subnanometer scale has been one of the most critical issues for the nanofabrication industry and researchers using scanning probe microscopy. Commercial nanopositioners have achieved direct measurements at the scale of 0.01 nm with capacitive sensing metrology. However, the commercial sensors have small dynamic ranges (up to only a few hundred micrometers) and are relatively large in size (centimeters in the transverse directions to the motion), which is necessary for healthy signal detections but making it difficult to use on smaller devices. This limits applications in which large materials (on the scale of centimeters or greater) are handled with needs of subnanometer resolutions. What has been done in the past is to combine the fine and coarse translation stages with different dynamic ranges to simultaneously achieve long travel range and high spatial resolution. In this paper, we present a novel capacitive position sensing metrology with ultrawide dynamic range from subnanometer to literally any practically desired length for a translation stage. This sensor will greatly simplify the task and enhance the performance of direct metrology in a hybrid translational stage covering translation tasks from subnanometer to centimeters.

Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition

NASA Astrophysics Data System (ADS)

Sun, Shuhui; Zhang, Gaixia; Gauquelin, Nicolas; Chen, Ning; Zhou, Jigang; Yang, Songlan; Chen, Weifeng; Meng, Xiangbo; Geng, Dongsheng; Banis, Mohammad N.; Li, Ruying; Ye, Siyu; Knights, Shanna; Botton, Gianluigi A.; Sham, Tsun-Kong; Sun, Xueliang

2013-05-01

Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle. The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the excellent performance. This work is anticipated to form the basis for the exploration of a next generation of highly efficient single-atom catalysts for various applications.

Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition

PubMed Central

Sun, Shuhui; Zhang, Gaixia; Gauquelin, Nicolas; Chen, Ning; Zhou, Jigang; Yang, Songlan; Chen, Weifeng; Meng, Xiangbo; Geng, Dongsheng; Banis, Mohammad N.; Li, Ruying; Ye, Siyu; Knights, Shanna; Botton, Gianluigi A.; Sham, Tsun-Kong; Sun, Xueliang

2013-01-01

Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle. The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the excellent performance. This work is anticipated to form the basis for the exploration of a next generation of highly efficient single-atom catalysts for various applications.

Magnetic spherical cores partly coated with periodic mesoporous organosilica single crystals.

PubMed

Li, Jing; Wei, Yong; Li, Wei; Deng, Yonghui; Zhao, Dongyuan

2012-03-07

Core-shell structured materials are of special significance in various applications. Until now, most reported core-shell structures have polycrystalline or amorphous coatings as their shell layers, with popular morphologies of microspheres or quasi-spheres. However, the single crystals, either mesoscale or atomic ones, are still rarely reported as shell layers. If single crystals can be coated on core materials, it would result in a range of new type core-shell structures with various morphologies, and probably more potential applications. In this work, we demonstrate that periodic mesoporous organosilica (PMO) single crystals can partly grow on magnetic microspheres to form incomplete Fe(3)O(4)@nSiO(2)@PMO core-shell materials in aqueous solution, which indeed is the first illustration that mesoporous single-crystal materials can be used as shell layers for preparation of core-shell materials. The achieved materials have advantages of high specific surface areas, good magnetic responses, embedded functional groups and cubic mesopore channels, which might provide them with various application conveniences. We suppose the partial growth is largely decided by the competition between growing tendency of single crystals and the resistances to this tendency. In principle, other single crystals, including a range of atomic single crystals, such as zeolites, are able to be developed into such core-shell structures.

Cryo-Electron Microscopy of Viruses Infecting Bacterium

NASA Astrophysics Data System (ADS)

Chiu, Wah

2010-03-01

Single particle cryo-EM can yield structures of infectious bacterial viruses with and without imposed icosahedral symmetry at subnanometer resolution. Reconstructions of infectious and empty phage particles show substantial differences in the portal vertex protein complex at one of the 12 pentameric vertices in the icosahedral virus particle through which the viral genomes are packaged or released. In addition, electron cryo-tomography of viruses during infecting its bacterial host cell displayed multiple conformations of the tail fiber of the virus. Our structural observations by single particle and tomographic reconstructions suggest a mechanism whereby the viral tail fibers, upon binding to the host cell, induce a cascade of structural alterations of the portal vertex protein complex that triggers DNA release.

Frequency Noise Suppression of a Single Mode Laser with an Unbalanced Fiber Interferometer for Subnanometer Interferometry

PubMed Central

Šmíd, Radek; Čížek, Martin; Mikel, Břetislav; Číp, Ondřej

2015-01-01

We present a method of noise suppression of laser diodes by an unbalanced Michelson fiber interferometer. The unstabilized laser source is represented by compact planar waveguide external cavity laser module, ORIONTM (Redfern Integrated Optics, Inc.), working at 1540.57 nm with a 1.5-kHz linewidth. We built up the unbalanced Michelson interferometer with a 2.09 km-long arm based on the standard telecommunication single-mode fiber (SMF-28) spool to suppress the frequency noise by the servo-loop control by 20 dB to 40 dB within the Fourier frequency range, remaining the tuning range of the laser frequency. PMID:25587980

Absolute Distance Measurement with the MSTAR Sensor

NASA Technical Reports Server (NTRS)

Lay, Oliver P.; Dubovitsky, Serge; Peters, Robert; Burger, Johan; Ahn, Seh-Won; Steier, William H.; Fetterman, Harrold R.; Chang, Yian

2003-01-01

The MSTAR sensor (Modulation Sideband Technology for Absolute Ranging) is a new system for measuring absolute distance, capable of resolving the integer cycle ambiguity of standard interferometers, and making it possible to measure distance with sub-nanometer accuracy. The sensor uses a single laser in conjunction with fast phase modulators and low frequency detectors. We describe the design of the system - the principle of operation, the metrology source, beamlaunching optics, and signal processing - and show results for target distances up to 1 meter. We then demonstrate how the system can be scaled to kilometer-scale distances.

Tailoring surface plasmon resonance and dipole cavity plasmon modes of scattering cross section spectra on the single solid-gold/gold-shell nanorod

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou Chau, Yuan-Fong, E-mail: chou.fong@ubd.edu.bn; Lim, Chee Ming; Kumara, N. T. R. N.

Tunable surface plasmon resonance (SPR) and dipole cavity plasmon modes of the scattering cross section (SCS) spectra on the single solid-gold/gold-shell nanorod have been numerically investigated by using the finite element method. Various effects, such as the influence of SCS spectra under x- and y-polarizations on the surface of the single solid-gold/gold-shell nanorod, are discussed in detail. With the single gold-shell nanorod, one can independently tune the relative SCS spectrum width by controlling the rod length and rod diameter, and the surface scattering by varying the shell thickness and polarization direction, as well as the dipole peak energy. These behaviorsmore » are consistent with the properties of localized SPRs and offer a way to optically control and produce selected emission wavelengths from the single solid-gold/gold-shell nanorod. The electric field and magnetic distributions provide us a qualitative idea of the geometrical properties of the single solid-gold/gold-shell nanorod on plasmon resonance.« less

Tailoring surface plasmon resonance and dipole cavity plasmon modes of scattering cross section spectra on the single solid-gold/gold-shell nanorod

NASA Astrophysics Data System (ADS)

Chou Chau, Yuan-Fong; Lim, Chee Ming; Lee, Chuanyo; Huang, Hung Ji; Lin, Chun-Ting; Kumara, N. T. R. N.; Yoong, Voo Nyuk; Chiang, Hai-Pang

2016-09-01

Tunable surface plasmon resonance (SPR) and dipole cavity plasmon modes of the scattering cross section (SCS) spectra on the single solid-gold/gold-shell nanorod have been numerically investigated by using the finite element method. Various effects, such as the influence of SCS spectra under x- and y-polarizations on the surface of the single solid-gold/gold-shell nanorod, are discussed in detail. With the single gold-shell nanorod, one can independently tune the relative SCS spectrum width by controlling the rod length and rod diameter, and the surface scattering by varying the shell thickness and polarization direction, as well as the dipole peak energy. These behaviors are consistent with the properties of localized SPRs and offer a way to optically control and produce selected emission wavelengths from the single solid-gold/gold-shell nanorod. The electric field and magnetic distributions provide us a qualitative idea of the geometrical properties of the single solid-gold/gold-shell nanorod on plasmon resonance.

Imaging and Force Recognition of Single Molecular Behaviors Using Atomic Force Microscopy

PubMed Central

Li, Mi; Dang, Dan; Liu, Lianqing; Xi, Ning; Wang, Yuechao

2017-01-01

The advent of atomic force microscopy (AFM) has provided a powerful tool for investigating the behaviors of single native biological molecules under physiological conditions. AFM can not only image the conformational changes of single biological molecules at work with sub-nanometer resolution, but also sense the specific interactions of individual molecular pair with piconewton force sensitivity. In the past decade, the performance of AFM has been greatly improved, which makes it widely used in biology to address diverse biomedical issues. Characterizing the behaviors of single molecules by AFM provides considerable novel insights into the underlying mechanisms guiding life activities, contributing much to cell and molecular biology. In this article, we review the recent developments of AFM studies in single-molecule assay. The related techniques involved in AFM single-molecule assay were firstly presented, and then the progress in several aspects (including molecular imaging, molecular mechanics, molecular recognition, and molecular activities on cell surface) was summarized. The challenges and future directions were also discussed. PMID:28117741

Imaging proteins at the single-molecule level.

PubMed

Longchamp, Jean-Nicolas; Rauschenbach, Stephan; Abb, Sabine; Escher, Conrad; Latychevskaia, Tatiana; Kern, Klaus; Fink, Hans-Werner

2017-02-14

Imaging single proteins has been a long-standing ambition for advancing various fields in natural science, as for instance structural biology, biophysics, and molecular nanotechnology. In particular, revealing the distinct conformations of an individual protein is of utmost importance. Here, we show the imaging of individual proteins and protein complexes by low-energy electron holography. Samples of individual proteins and protein complexes on ultraclean freestanding graphene were prepared by soft-landing electrospray ion beam deposition, which allows chemical- and conformational-specific selection and gentle deposition. Low-energy electrons do not induce radiation damage, which enables acquiring subnanometer resolution images of individual proteins (cytochrome C and BSA) as well as of protein complexes (hemoglobin), which are not the result of an averaging process.

Imaging proteins at the single-molecule level

PubMed Central

Longchamp, Jean-Nicolas; Rauschenbach, Stephan; Abb, Sabine; Escher, Conrad; Latychevskaia, Tatiana; Kern, Klaus; Fink, Hans-Werner

2017-01-01

Imaging single proteins has been a long-standing ambition for advancing various fields in natural science, as for instance structural biology, biophysics, and molecular nanotechnology. In particular, revealing the distinct conformations of an individual protein is of utmost importance. Here, we show the imaging of individual proteins and protein complexes by low-energy electron holography. Samples of individual proteins and protein complexes on ultraclean freestanding graphene were prepared by soft-landing electrospray ion beam deposition, which allows chemical- and conformational-specific selection and gentle deposition. Low-energy electrons do not induce radiation damage, which enables acquiring subnanometer resolution images of individual proteins (cytochrome C and BSA) as well as of protein complexes (hemoglobin), which are not the result of an averaging process. PMID:28087691

High-purity 3D nano-objects grown by focused-electron-beam induced deposition.

PubMed

Córdoba, Rosa; Sharma, Nidhi; Kölling, Sebastian; Koenraad, Paul M; Koopmans, Bert

2016-09-02

To increase the efficiency of current electronics, a specific challenge for the next generation of memory, sensing and logic devices is to find suitable strategies to move from two- to three-dimensional (3D) architectures. However, the creation of real 3D nano-objects is not trivial. Emerging non-conventional nanofabrication tools are required for this purpose. One attractive method is focused-electron-beam induced deposition (FEBID), a direct-write process of 3D nano-objects. Here, we grow 3D iron and cobalt nanopillars by FEBID using diiron nonacarbonyl Fe2(CO)9, and dicobalt octacarbonyl Co2(CO)8, respectively, as starting materials. In addition, we systematically study the composition of these nanopillars at the sub-nanometer scale by atom probe tomography, explicitly mapping the homogeneity of the radial and longitudinal composition distributions. We show a way of fabricating high-purity 3D vertical nanostructures of ∼50 nm in diameter and a few micrometers in length. Our results suggest that the purity of such 3D nanoelements (above 90 at% Fe and above 95 at% Co) is directly linked to their growth regime, in which the selected deposition conditions are crucial for the final quality of the nanostructure. Moreover, we demonstrate that FEBID and the proposed characterization technique not only allow for growth and chemical analysis of single-element structures, but also offers a new way to directly study 3D core-shell architectures. This straightforward concept could establish a promising route to the design of 3D elements for future nano-electronic devices.

High-purity 3D nano-objects grown by focused-electron-beam induced deposition

NASA Astrophysics Data System (ADS)

Córdoba, Rosa; Sharma, Nidhi; Kölling, Sebastian; Koenraad, Paul M.; Koopmans, Bert

2016-09-01

To increase the efficiency of current electronics, a specific challenge for the next generation of memory, sensing and logic devices is to find suitable strategies to move from two- to three-dimensional (3D) architectures. However, the creation of real 3D nano-objects is not trivial. Emerging non-conventional nanofabrication tools are required for this purpose. One attractive method is focused-electron-beam induced deposition (FEBID), a direct-write process of 3D nano-objects. Here, we grow 3D iron and cobalt nanopillars by FEBID using diiron nonacarbonyl Fe2(CO)9, and dicobalt octacarbonyl Co2(CO)8, respectively, as starting materials. In addition, we systematically study the composition of these nanopillars at the sub-nanometer scale by atom probe tomography, explicitly mapping the homogeneity of the radial and longitudinal composition distributions. We show a way of fabricating high-purity 3D vertical nanostructures of ˜50 nm in diameter and a few micrometers in length. Our results suggest that the purity of such 3D nanoelements (above 90 at% Fe and above 95 at% Co) is directly linked to their growth regime, in which the selected deposition conditions are crucial for the final quality of the nanostructure. Moreover, we demonstrate that FEBID and the proposed characterization technique not only allow for growth and chemical analysis of single-element structures, but also offers a new way to directly study 3D core-shell architectures. This straightforward concept could establish a promising route to the design of 3D elements for future nano-electronic devices.

Thermometry with Subnanometer Resolution in the Electron Microscope Using the Principle of Detailed Balancing.

PubMed

Lagos, Maureen J; Batson, Philip E

2018-06-13

We measure phonon energy gain and loss down to 20 meV in a single nanostructure using an atom-wide monochromatic electron beam. We show that the bulk and surface, energy loss and energy gain processes obey the principle of detailed balancing in nanostructured systems at thermal equilibrium. By plotting the logarithm of the ratio of the loss and gain bulk/surface scattering as a function of the excitation energy, we find a linear behavior, expected from detailed balance arguments. Since that universal linearity scales with the inverse of the nanosystem temperature only, we can measure the temperature of the probed object with precision down to about 1 K without reference to the nanomaterial. We also show that subnanometer spatial resolution (down to ∼2 Å) can be obtained using highly localized acoustic phonon scattering. The surface phonon polariton signal can also be used to measure the temperature near the nanostructure surfaces, but with unavoidable averaging over several nanometers. Comparison between transmission and aloof probe configurations suggests that our method exhibits noninvasive characteristics. Our work demonstrates the validity of the principle of detailed balancing within nanoscale materials at thermal equilibrium, and it describes a transparent method to measure nanoscale temperature, thus representing an advance in the development of a noninvasive method for measurements with angstrom resolution.

Subnanometer Motion of Cargoes Driven by Thermal Gradients Along Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Barreiro, Amelia; Rurali, Riccardo; Hernández, Eduardo R.; Moser, Joel; Pichler, Thomas; Forró, László; Bachtold, Adrian

2008-05-01

An important issue in nanoelectromechanical systems is developing small electrically driven motors. We report on an artificial nanofabricated motor in which one short carbon nanotube moves relative to another coaxial nanotube. A cargo is attached to an ablated outer wall of a multiwalled carbon nanotube that can rotate and/or translate along the inner nanotube. The motion is actuated by imposing a thermal gradient along the nanotube, which allows for subnanometer displacements, as opposed to an electromigration or random walk effect.

Activation of surface lattice oxygen in single-atom Pt/CeO 2 for low-temperature CO oxidation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nie, Lei; Mei, Donghai; Xiong, Haifeng

While single-atom catalysts can provide high catalytic activity and selectivity, application in industrial catalysts demands long term performance and the ability to regenerate the catalysts. We have investigated the factors that lead to improved catalytic activity of a Pt/CeO2 catalyst for low temperature CO oxidation. Single-atom Pt/CeO2 becomes active for CO oxidation under lean condition only at elevated temperatures, because CO is strongly bound to ionic Pt sites. Reducing the catalyst, even under mild conditions, leads to onset of CO oxidation activity even at room temperature. This high activity state involves the transformation of mononuclear Pt species to sub-nanometer sizedmore » Pt particles. Under oxidizing conditions, the Pt can be restored to its stable, single-atom state. The key to facile regeneration is the ability to create mobile Pt species and suitable trapping sites on the support, making this a prototypical catalyst system for industrial application of single-atom catalysis.« less

Subnanometer and nanometer catalysts, method for preparing size-selected catalysts

DOEpatents

Vajda, Stefan , Pellin, Michael J.; Elam, Jeffrey W [Elmhurst, IL; Marshall, Christopher L [Naperville, IL; Winans, Randall A [Downers Grove, IL; Meiwes-Broer, Karl-Heinz [Roggentin, GR

2012-04-03

Highly uniform cluster based nanocatalysts supported on technologically relevant supports were synthesized for reactions of top industrial relevance. The Pt-cluster based catalysts outperformed the very best reported ODHP catalyst in both activity (by up to two orders of magnitude higher turn-over frequencies) and in selectivity. The results clearly demonstrate that highly dispersed ultra-small Pt clusters precisely localized on high-surface area supports can lead to affordable new catalysts for highly efficient and economic propene production, including considerably simplified separation of the final product. The combined GISAXS-mass spectrometry provides an excellent tool to monitor the evolution of size and shape of nanocatalyst at action under realistic conditions. Also provided are sub-nanometer gold and sub-nanometer to few nm size-selected silver catalysts which possess size dependent tunable catalytic properties in the epoxidation of alkenes. Invented size-selected cluster deposition provides a unique tool to tune material properties by atom-by-atom fashion, which can be stabilized by protective overcoats.

Subnanometer and nanometer catalysts, method for preparing size-selected catalysts

DOEpatents

Vajda, Stefan [Lisle, IL; Pellin, Michael J [Naperville, IL; Elam, Jeffrey W [Elmhurst, IL; Marshall, Christopher L [Naperville, IL; Winans, Randall A [Downers Grove, IL; Meiwes-Broer, Karl-Heinz [Roggentin, GR

2012-03-27

Highly uniform cluster based nanocatalysts supported on technologically relevant supports were synthesized for reactions of top industrial relevance. The Pt-cluster based catalysts outperformed the very best reported ODHP catalyst in both activity (by up to two orders of magnitude higher turn-over frequencies) and in selectivity. The results clearly demonstrate that highly dispersed ultra-small Pt clusters precisely localized on high-surface area supports can lead to affordable new catalysts for highly efficient and economic propene production, including considerably simplified separation of the final product. The combined GISAXS-mass spectrometry provides an excellent tool to monitor the evolution of size and shape of nanocatalyst at action under realistic conditions. Also provided are sub-nanometer gold and sub-nanometer to few nm size-selected silver catalysts which possess size dependent tunable catalytic properties in the epoxidation of alkenes. Invented size-selected cluster deposition provides a unique tool to tune material properties by atom-by-atom fashion, which can be stabilized by protective overcoats.

Cryogenic colocalization microscopy for nanometer-distance measurements.

PubMed

Weisenburger, Siegfried; Jing, Bo; Hänni, Dominik; Reymond, Luc; Schuler, Benjamin; Renn, Alois; Sandoghdar, Vahid

2014-03-17

The main limiting factor in spatial resolution of localization microscopy is the number of detected photons. Recently we showed that cryogenic measurements improve the photostability of fluorophores, giving access to Angstrom precision in localization of single molecules. Here, we extend this method to colocalize two fluorophores attached to well-defined positions of a double-stranded DNA. By measuring the separations of the fluorophore pairs prepared at different design positions, we verify the feasibility of cryogenic distance measurement with sub-nanometer accuracy. We discuss the important challenges of our method as well as its potential for further improvement and various applications.

The edge- and basal-plane-specific electrochemistry of a single-layer graphene sheet

PubMed Central

Yuan, Wenjing; Zhou, Yu; Li, Yingru; Li, Chun; Peng, Hailin; Zhang, Jin; Liu, Zhongfan; Dai, Liming; Shi, Gaoquan

2013-01-01

Graphene has a unique atom-thick two-dimensional structure and excellent properties, making it attractive for a variety of electrochemical applications, including electrosynthesis, electrochemical sensors or electrocatalysis, and energy conversion and storage. However, the electrochemistry of single-layer graphene has not yet been well understood, possibly due to the technical difficulties in handling individual graphene sheet. Here, we report the electrochemical behavior at single-layer graphene-based electrodes, comparing the basal plane of graphene to its edge. The graphene edge showed 4 orders of magnitude higher specific capacitance, much faster electron transfer rate and stronger electrocatalytic activity than those of graphene basal plane. A convergent diffusion effect was observed at the sub-nanometer thick graphene edge-electrode to accelerate the electrochemical reactions. Coupling with the high conductivity of a high-quality graphene basal plane, graphene edge is an ideal electrode for electrocatalysis and for the storage of capacitive charges. PMID:23896697

A Novel Low Energy Electron Microscope for DNA Sequencing and Surface Analysis

PubMed Central

Mankos, M.; Shadman, K.; Persson, H.H.J.; N’Diaye, A.T.; Schmid, A.K.; Davis, R.W.

2014-01-01

Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel technique that is directed towards imaging nanostructures and surfaces with sub-nanometer resolution. The technique combines a monochromator, a mirror aberration corrector, an energy filter, and dual beam illumination in a single instrument. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. Simulation results predict that the novel aberration corrector design will eliminate the second rank chromatic and third and fifth order spherical aberrations, thereby improving the resolution into the sub-nanometer regime at landing energies as low as one hundred electron-Volts. The energy filter produces a beam that can extract detailed information about the chemical composition and local electronic states of non-periodic objects such as nanoparticles, interfaces, defects, and macromolecules. The dual flood illumination eliminates charging effects that are generated when a conventional LEEM is used to image insulating specimens. A potential application for MAD-LEEM is in DNA sequencing, which requires high resolution to distinguish the individual bases and high speed to reduce the cost. The MAD-LEEM approach images the DNA with low electron impact energies, which provides nucleobase contrast mechanisms without organometallic labels. Furthermore, the micron-size field of view when combined with imaging on the fly provides long read lengths, thereby reducing the demand on assembling the sequence. Experimental results from bulk specimens with immobilized single-base oligonucleotides demonstrate that base specific contrast is available with reflected, photo-emitted, and Auger electrons. Image contrast simulations of model rectangular features mimicking the individual nucleotides in a DNA strand have been developed to translate measurements of contrast on bulk DNA to the detectability of individual DNA bases in a sequence. PMID:24524867

A novel low energy electron microscope for DNA sequencing and surface analysis.

PubMed

Mankos, M; Shadman, K; Persson, H H J; N'Diaye, A T; Schmid, A K; Davis, R W

2014-10-01

Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel technique that is directed towards imaging nanostructures and surfaces with sub-nanometer resolution. The technique combines a monochromator, a mirror aberration corrector, an energy filter, and dual beam illumination in a single instrument. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. Simulation results predict that the novel aberration corrector design will eliminate the second rank chromatic and third and fifth order spherical aberrations, thereby improving the resolution into the sub-nanometer regime at landing energies as low as one hundred electron-Volts. The energy filter produces a beam that can extract detailed information about the chemical composition and local electronic states of non-periodic objects such as nanoparticles, interfaces, defects, and macromolecules. The dual flood illumination eliminates charging effects that are generated when a conventional LEEM is used to image insulating specimens. A potential application for MAD-LEEM is in DNA sequencing, which requires high resolution to distinguish the individual bases and high speed to reduce the cost. The MAD-LEEM approach images the DNA with low electron impact energies, which provides nucleobase contrast mechanisms without organometallic labels. Furthermore, the micron-size field of view when combined with imaging on the fly provides long read lengths, thereby reducing the demand on assembling the sequence. Experimental results from bulk specimens with immobilized single-base oligonucleotides demonstrate that base specific contrast is available with reflected, photo-emitted, and Auger electrons. Image contrast simulations of model rectangular features mimicking the individual nucleotides in a DNA strand have been developed to translate measurements of contrast on bulk DNA to the detectability of individual DNA bases in a sequence. Copyright © 2014 Elsevier B.V. All rights reserved.

A novel low energy electron microscope for DNA sequencing and surface analysis

DOE PAGES

Mankos, M.; Shadman, K.; Persson, H. H. J.; ...

2014-01-31

Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel technique that is directed towards imaging nanostructures and surfaces with sub-nanometer resolution. The technique combines a monochromator, a mirror aberration corrector, an energy filter, and dual beam illumination in a single instrument. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. Simulation results predict that the novel aberration corrector design will eliminate the second rank chromatic and third and fifth order spherical aberrations, thereby improving the resolution into the sub-nanometer regime at landing energies as low as one hundred electron-Volts.more » The energy filter produces a beam that can extract detailed information about the chemical composition and local electronic states of non-periodic objects such as nanoparticles, interfaces, defects, and macromolecules. The dual flood illumination eliminates charging effects that are generated when a conventional LEEM is used to image insulating specimens. A potential application for MAD-LEEM is in DNA sequencing, which requires high resolution to distinguish the individual bases and high speed to reduce the cost. The MAD-LEEM approach images the DNA with low electron impact energies, which provides nucleobase contrast mechanisms without organometallic labels. Furthermore, the micron-size field of view when combined with imaging on the fly provides long read lengths, thereby reducing the demand on assembling the sequence. Finally, experimental results from bulk specimens with immobilized single-base oligonucleotides demonstrate that base specific contrast is available with reflected, photo-emitted, and Auger electrons. Image contrast simulations of model rectangular features mimicking the individual nucleotides in a DNA strand have been developed to translate measurements of contrast on bulk DNA to the detectability of individual DNA bases in a sequence.« less

Acoustical and optical radiation pressure and the development of single beam acoustical tweezers

NASA Astrophysics Data System (ADS)

Thomas, Jean-Louis; Marchiano, Régis; Baresch, Diego

2017-07-01

Studies on radiation pressure in acoustics and optics have enriched one another and have a long common history. Acoustic radiation pressure is used for metrology, levitation, particle trapping and actuation. However, the dexterity and selectivity of single-beam optical tweezers are still to be matched with acoustical devices. Optical tweezers can trap, move and position micron size particles, biological samples or even atoms with subnanometer accuracy in three dimensions. One limitation of optical tweezers is the weak force that can be applied without thermal damage due to optical absorption. Acoustical tweezers overcome this limitation since the radiation pressure scales as the field intensity divided by the speed of propagation of the wave. However, the feasibility of single beam acoustical tweezers was demonstrated only recently. In this paper, we propose a historical review of the strong similarities but also the specificities of acoustical and optical radiation pressures, from the expression of the force to the development of single-beam acoustical tweezers.

Subnanometer Cobalt-Hydroxide-Anchored N-Doped Carbon Nanotube Forest for Bifunctional Oxygen Catalyst.

PubMed

Kim, Ji Eun; Lim, Joonwon; Lee, Gil Yong; Choi, Sun Hee; Maiti, Uday Narayan; Lee, Won Jun; Lee, Ho Jin; Kim, Sang Ouk

2016-01-27

Electrochemical oxygen redox reactions are the crucial elements for energy conversion and storage including fuel cells and metal air batteries. Despite tremendous research efforts, developing high-efficient, low-cost, and durable bifunctional oxygen catalysts remains a major challenge. We report a new class of hybrid material consisting of subnanometer thick amorphous cobalt hydroxide anchored on NCNT as a durable ORR/OER bifunctional catalyst. Although amorphous cobalt species-based catalysts are known as good OER catalysts, hybridizing with NCNT successfully enhanced ORR activity by promoting a 4e reduction pathway. Abundant charge carriers in amorphous cobalt hydroxide are found to trigger the superior OER activity with high current density and low Tafel slope as low as 36 mV/decade. A remarkably high OER turnover frequency (TOF) of 2.3 s(-1) at an overpotential of 300 mV was obtained, one of the highest values reported so far. Moreover, the catalytic activity was maintained over 120 h of cycling. The unique subnanometer scale morphology of amorphous hydroxide cobalt species along with intimate cobalt species-NCNT interaction minimizes the deactivation of catalyst during prolonged repeated cycles.

Investigation of mechanical properties and deformation behavior of single-crystal Al-Cu core-shell nanowire generated using non-equilibrium molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Sarkar, Jit

2018-06-01

Molecular dynamics (MD) simulation studies were carried out to generate a cylindrical single-crystal Al-Cu core-shell nanowire and its mechanical properties like yield strength and Young's modulus were evaluated in comparison to a solid aluminum nanowire and hollow copper nanowire which combines to constitute the core-shell structure respectively. The deformation behavior due to changes in the number of Wigner-Seitz defects and dislocations during the entire tensile deformation process was thoroughly studied for the Al-Cu core-shell nanowire. The single-crystal Al-Cu core-shell nanowire shows much higher yield strength and Young's modulus in comparison to the solid aluminum core and hollow copper shell nanowire due to tangling of dislocations caused by lattice mismatch between aluminum and copper. Thus, the Al-Cu core-shell nanowire can be reinforced in different bulk matrix to develop new type of light-weight nanocomposite materials with greatly enhanced material properties.

Single-step generation of metal-plasma polymer multicore@shell nanoparticles from the gas phase.

PubMed

Solař, Pavel; Polonskyi, Oleksandr; Olbricht, Ansgar; Hinz, Alexander; Shelemin, Artem; Kylián, Ondřej; Choukourov, Andrei; Faupel, Franz; Biederman, Hynek

2017-08-17

Nanoparticles composed of multiple silver cores and a plasma polymer shell (multicore@shell) were prepared in a single step with a gas aggregation cluster source operating with Ar/hexamethyldisiloxane mixtures and optionally oxygen. The size distribution of the metal inclusions as well as the chemical composition and the thickness of the shells were found to be controlled by the composition of the working gas mixture. Shell matrices ranging from organosilicon plasma polymer to nearly stoichiometric SiO 2 were obtained. The method allows facile fabrication of multicore@shell nanoparticles with tailored functional properties, as demonstrated here with the optical response.

Single molecule junction conductance and binding geometry

NASA Astrophysics Data System (ADS)

Kamenetska, Maria

This Thesis addresses the fundamental problem of controlling transport through a metal-organic interface by studying electronic and mechanical properties of single organic molecule-metal junctions. Using a Scanning Tunneling Microscope (STM) we image, probe energy-level alignment and perform STM-based break junction (BJ) measurements on molecules bound to a gold surface. Using Scanning Tunneling Microscope-based break-junction (STM-BJ) techniques, we explore the effect of binding geometry on single-molecule conductance by varying the structure of the molecules, metal-molecule binding chemistry and by applying sub-nanometer manipulation control to the junction. These experiments are performed both in ambient conditions and in ultra high vacuum (UHV) at cryogenic temperatures. First, using STM imaging and scanning tunneling spectroscopy (STS) measurements we explore binding configurations and electronic properties of an amine-terminated benzene derivative on gold. We find that details of metal-molecule binding affect energy-level alignment at the interface. Next, using the STM-BJ technique, we form and rupture metal-molecule-metal junctions ˜104 times to obtain conductance-vs-extension curves and extract most likely conductance values for each molecule. With these measurements, we demonstrated that the control of junction conductance is possible through a choice of metal-molecule binding chemistry and sub-nanometer positioning. First, we show that molecules terminated with amines, sulfides and phosphines bind selectively on gold and therefore demonstrate constant conductance levels even as the junction is elongated and the metal-molecule attachment point is modified. Such well-defined conductance is also obtained with paracyclophane molecules which bind to gold directly through the pi system. Next, we are able to create metal-molecule-metal junctions with more than one reproducible conductance signatures that can be accessed by changing junction geometry. In the case of pyridine-linked molecules, conductance can be reliably switched between two distinct conductance states using sub-nanometer mechanical manipulation. Using a methyl sulfide linker attached to an oligoene backbone, we are able to create a 3-nm-long molecular potentiometer, whose resistance can be tuned exponentially with Angstom-scale modulations in metal-molecule configuration. These experiments points to a new paradigm for attaining reproducible electrical characteristics of metal-organic devices which involves controlling linker-metal chemistry rather than fabricating identically structured metal-molecule interfaces. By choosing a linker group which is either insensitive to or responds reproducibly to changes in metal-molecule configuration, one can design single molecule devices with functionality more complex than a simple resistor. These ambient temperature experiments were combined with UHV conductance measurements performed in a commercial STM on amine-terminated benzene derivatives which conduct through a non-resonant tunneling mechanism, at temperatures varying from 5 to 300 Kelvin. Our results indicate that while amine-gold binding remains selective irrespective of environment, conductance is not temperature independent, in contrast to what is expected for a tunneling mechanism. Furthermore, using temperature-dependent measurements in ambient conditions we find that HOMO-conducting amines and LUMO-conducting pyridines show opposite dependence of conductance on temperature. These results indicate that energy-level alignment between the molecule and the electrodes changes as a result of varying electrode structure at different temperatures. We find that temperature can serve as a knob with which to tune transport properties of single molecule-metal junctions.

Microscopic Shell Model Calculations for sd-Shell Nuclei

NASA Astrophysics Data System (ADS)

Barrett, Bruce R.; Dikmen, Erdal; Maris, Pieter; Shirokov, Andrey M.; Smirnova, Nadya A.; Vary, James P.

Several techniques now exist for performing detailed and accurate calculations of the structure of light nuclei, i.e., A ≤ 16. Going to heavier nuclei requires new techniques or extensions of old ones. One of these is the so-called No Core Shell Model (NCSM) with a Core approach, which involves an Okubo-Lee-Suzuki (OLS) transformation of a converged NCSM result into a single major shell, such as the sd-shell. The obtained effective two-body matrix elements can be separated into core and single-particle (s.p.) energies plus residual two-body interactions, which can be used for performing standard shell-model (SSM) calculations. As an example, an application of this procedure will be given for nuclei at the beginning ofthe sd-shell.

Preparation and characterization of SiO2-coated submicron-sized L10 Fe-Pt particles

NASA Astrophysics Data System (ADS)

Hayashi, Yoshiaki; Ogawa, Tomoyuki; Ishiyama, Kazushi

2018-05-01

The development of magnets with higher performance is attracting increasing interest. The optimization of their microstructure is essential to enhance their properties, and a microstructure comprising magnetically isolated hard magnetic grains of a single-domain size has been proposed as an ideal structure for enhancing the coercivity of magnets. To obtain magnets with an ideal structure, we consider the fabrication of magnets by an approach based on core/shell nanoparticles with a hard magnetic core and a non-magnetic shell. In this study, to obtain particles for our proposed approach, we attempted to fabricate L10 Fe-Pt/SiO2-core/shell particles with submicron-sized cores less than the critical single-domain size. The fabrication of such core/shell particles was confirmed from morphology observations and XRD analysis of the particles. Although the formation of more desirable core/shell particles with submicron-sized single-crystal cores in the single-domain size range was not achieved, the fabricated core/shell particles showed a high coercivity of 25 kOe.

Review of technologies for the pretreatment of retrieved single-shell tank waste at Hanford

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerber, M.A.

1992-08-01

The purpose of the study reported here was to identify and evaluate innovative processes that could be used to pretreat mixed waste retrieved from the 149 single-shell tanks (SSTs) on the US Department of Energy's (DOE) Hanford site. The information was collected as part of the Single Shell Tank Waste Treatment project at Pacific Northwest Laboratory (PNL). The project is being conducted for Westinghouse Hanford Company under their SST Disposal Program.

Review of technologies for the pretreatment of retrieved single-shell tank waste at Hanford

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerber, M.A.

1992-08-01

The purpose of the study reported here was to identify and evaluate innovative processes that could be used to pretreat mixed waste retrieved from the 149 single-shell tanks (SSTs) on the US Department of Energy`s (DOE) Hanford site. The information was collected as part of the Single Shell Tank Waste Treatment project at Pacific Northwest Laboratory (PNL). The project is being conducted for Westinghouse Hanford Company under their SST Disposal Program.

Kinematic arguments against single relativistic shell models for GRBs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fenimore, E.E.; Ramirez, E.; Sumner, M.C.

1997-09-01

Two main types of models have been suggested to explain the long durations and multiple peaks of Gamma Ray Bursts (GRBs). In one, there is a very quick release of energy at a central site resulting in a single relativistic shell that produces peaks in the time history through its interactions with the ambient material. In the other, the central site sporadically releases energy over hundreds of seconds forming a peak with each burst of energy. The authors show that the average envelope of emission and the presence of gaps in GRBs are inconsistent with a single relativistic shell. Theymore » estimate that the maximum fraction of a single shell that can produce gamma-rays in a GRB with multiple peaks is 10{sup {minus}3}, implying that single relativistic shells require 10{sup 3} times more energy than previously thought. They conclude that either the central site of a GRB must produce {approx}10{sup 51} erg/s{sup {minus}1} for hundreds of seconds, or the relativistic shell must have structure on a scales the order of {radical}{epsilon}{Gamma}{sup {minus}1}, where {Gamma} is the bulk Lorentz factor ({approximately}10{sup 2} to 10{sup 3}) and {epsilon} is the efficiency.« less

Signature of hydrophobic hydration in a single polymer

PubMed Central

Li, Isaac T. S.; Walker, Gilbert C.

2011-01-01

Hydrophobicity underpins self-assembly in many natural and synthetic molecular and nanoscale systems. A signature of hydrophobicity is its temperature dependence. The first experimental evaluation of the temperature and size dependence of hydration free energy in a single hydrophobic polymer is reported, which tests key assumptions in models of hydrophobic interactions in protein folding. Herein, the hydration free energy required to extend three hydrophobic polymers with differently sized aromatic side chains was directly measured by single molecule force spectroscopy. The results are threefold. First, the hydration free energy per monomer is found to be strongly dependent on temperature and does not follow interfacial thermodynamics. Second, the temperature dependence profiles are distinct among the three hydrophobic polymers as a result of a hydrophobic size effect at the subnanometer scale. Third, the hydration free energy of a monomer on a macromolecule is different from a free monomer; corrections for the reduced hydration free energy due to hydrophobic interaction from neighboring units are required. PMID:21911397

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hall, J.; Richard, P.; Gray, T.J.

The systematics of single and double K-shell-vacancy production in titanium has been investigated in the limit of zero target thickness (approx.1 ..mu..g/cm/sup 2/) for incident C, N, O, F, Mg, Al, Si, S, and Cl ions over a maximum energy range of 0.5 to 6.5 MeV/amu. This corresponds to collision systems with 0.27< or =Z/sub 1//Z/sub 2/< or =0.77 and 0.24< or =v/sub 1//vK< or =0.85, where v/sub 1/ is the projectile nuclear velocity and vK is the mean velocity of an electron in the target K shell. The present work is divided into four major sections. (1) Single K-shell-vacancymore » production has been investigated by measuring K..cap alpha.. and K..beta.. p satellite x-ray-production cross sections for projectiles incident with no K-shell vacancies. For incident ions with Z/sub 1/> or =9, the contribution due to electron-transfer processes from the target K shell to outer shells of the projectile has also been noted. (2) Single K-shell--to--K-shell electron-transfer cross sections have been obtained indirectly by the measuring of the enhancement in the Ti K x-ray production cross section for bare incident projectiles over ions incident with no initial K-shell vacancies. (3) Double K-vacancy production has been investigated by measuring the K..cap alpha.. hypersatellite intensity in ratio to the total K..cap alpha.. intensity. (4) Double K-shell--to--K-shell electron-transfer cross sections have been obtained indirectly with the use of a procedure similar to that used for single K to K transfer. The measured cross sections have been compared to theoretical models for direct Coulomb ionization and inner-shell electron transfer and have been used to investigate the relative importance of these mechanisms for K-vacancy production in heavy-ion--atom collisions.« less

Fifth Single-Shell Tank Integrity Project Expert Panel Meeting August 28-29, 2014

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martin, Todd M.; Gunter, Jason R.; Boomer, Kayle D.

On August 28th and 29th, 2014 the Single-Shell Tank Integrity Project (SSTIP) Expert Panel (Panel) convened in Richland, Washington. This was the Panel’s first meeting since 2011 and, as a result, was focused primarily on updating the Panel on progress in response to the past recommendations (Single-Shell Tank Integrity Expert Panel Report, RPP-RPT-45921, Rev 0, May 2010). This letter documents the Panel’s discussions and feedback on Phase I activities and results.

Static internal pressure capacity of Hanford Single-Shell Waste Tanks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Julyk, L.J.

1994-07-19

Underground single-shell waste storage tanks located at the Hanford Site in Richland, Washington, generate gaseous mixtures that could be ignited, challenging the structural integrity of the tanks. The structural capacity of the single-shell tanks to internal pressure is estimated through nonlinear finite-element structural analyses of the reinforced concrete tank. To determine their internal pressure capacity, designs for both the million-gallon and the half-million-gallon tank are evaluated on the basis of gross structural instability.

Effect of modified mold shell on the microstructure and tensile fracture morphology of single-crystal nickel-base superalloy

NASA Astrophysics Data System (ADS)

Xu, Weitai; Zhao, Yutao; Sun, Shaochun; Liu, Manping; Ma, Dexin; Liang, Xiangfeng; Wang, Cunlong; Tao, Ran

2018-04-01

The mold shell used for single-crystal turbine blades preparation was modified from conventional process to fiber reinforcement technology. The wall thickness was decreased by 32.3 percent (pct) than the conventional process. Then these two mold shells were used to produce single crystal samples of nickel-base superalloy in a Bridgman furnace. The local temperature curves were recorded in the process. The results show that the modified mold shell can increase the temperature gradient in the mushy zone than the conventional mold shell. The primary and secondary dendrite arm space were reduced by 8 pct and 12 pct, respectively. Moreover, both the area fraction and mean size of the γ‧/γ eutectic were declined, as well as the dendritic segregation tendency. Therefore it contributed to the lower residual eutectic and micro-porosity in the heat-treated microstructure. Further, fracture surface of the samples made by modified mold shell exhibited smaller facets and more uniform dimples in the size and shape.

Suppressed Blinking and Auger Recombination in Near-Infrared Type-II InP/CdS Nanocrystal Quantum Dots

PubMed Central

Dennis, Allison M.; Mangum, Benjamin D.; Piryatinski, Andrei; Park, Young-Shin; Hannah, Daniel C.; Casson, Joanna L.; Williams, Darrick J.; Schaller, Richard D.; Htoon, Han; Hollingsworth, Jennifer A.

2012-01-01

Non-blinking excitonic emission from near-infrared and type-II nanocrystal quantum dots (NQDs) is reported for the first time. To realize this unusual degree of stability at the single-dot level, novel InP/CdS core/shell NQDs were synthesized for a range of shell thicknesses (~1–11 monolayers of CdS). Ensemble spectroscopy measurements (photoluminescence peak position and radiative lifetimes) and electronic structure calculations established the transition from type-I to type-II band alignment in these heterostructured NQDs. More significantly, single-NQD studies revealed clear evidence for blinking suppression that was not strongly shell-thickness dependent, while photobleaching and biexciton lifetimes trended explicitly with extent of shelling. Specifically, very long biexciton lifetimes—up to >7 ns—were obtained for the thickest-shell structures, indicating dramatic suppression of non-radiative Auger recombination. This new system demonstrates that electronic structure and shell thickness can be employed together to effect control over key single-dot and ensemble NQD photophysical properties. PMID:23030497

Stability, resolution, and ultra-low wear amplitude modulation atomic force microscopy of DNA: Small amplitude small set-point imaging

NASA Astrophysics Data System (ADS)

Santos, Sergio; Barcons, Victor; Christenson, Hugo K.; Billingsley, Daniel J.; Bonass, William A.; Font, Josep; Thomson, Neil H.

2013-08-01

A way to operate fundamental mode amplitude modulation atomic force microscopy is introduced which optimizes stability and resolution for a given tip size and shows negligible tip wear over extended time periods (˜24 h). In small amplitude small set-point (SASS) imaging, the cantilever oscillates with sub-nanometer amplitudes in the proximity of the sample, without the requirement of using large drive forces, as the dynamics smoothly lead the tip to the surface through the water layer. SASS is demonstrated on single molecules of double-stranded DNA in ambient conditions where sharp silicon tips (R ˜ 2-5 nm) can resolve the right-handed double helix.

High-Resolution “Fleezers”: Dual-Trap Optical Tweezers Combined with Single-Molecule Fluorescence Detection

PubMed Central

Whitley, Kevin D.; Comstock, Matthew J.; Chemla, Yann R.

2017-01-01

Recent advances in optical tweezers have greatly expanded their measurement capabilities. A new generation of hybrid instrument that combines nanomechanical manipulation with fluorescence detection—fluorescence optical tweezers, or “fleezers”—is providing a powerful approach to study complex macromolecular dynamics. Here, we describe a combined high-resolution optical trap/confocal fluorescence microscope that can simultaneously detect sub-nanometer displacements, sub-piconewton forces, and single-molecule fluorescence signals. The primary technical challenge to these hybrid instruments is how to combine both measurement modalities without sacrificing the sensitivity of either one. We present general design principles to overcome this challenge and provide detailed, step-by-step instructions to implement them in the construction and alignment of the instrument. Lastly, we present a set of protocols to perform a simple, proof-of-principle experiment that highlights the instrument capabilities. PMID:27844430

A tunable single-monochromator Raman system based on the supercontinuum laser and tunable filters for resonant Raman profile measurements.

PubMed

Liu, X-L; Liu, H-N; Tan, P-H

2017-08-01

Resonant Raman spectroscopy requires that the wavelength of the laser used is close to that of an electronic transition. A tunable laser source and a triple spectrometer are usually necessary for resonant Raman profile measurements. However, such a system is complex with low signal throughput, which limits its wide application by scientific community. Here, a tunable micro-Raman spectroscopy system based on the supercontinuum laser, transmission grating, tunable filters, and single-stage spectrometer is introduced to measure the resonant Raman profile. The supercontinuum laser in combination with transmission grating makes a tunable excitation source with a bandwidth of sub-nanometer. Such a system exhibits continuous excitation tunability and high signal throughput. Its good performance and flexible tunability are verified by resonant Raman profile measurement of twisted bilayer graphene, which demonstrates its potential application prospect for resonant Raman spectroscopy.

Single-mode tunable laser emission in the single-exciton regime from colloidal nanocrystals

PubMed Central

Grivas, Christos; Li, Chunyong; Andreakou, Peristera; Wang, Pengfei; Ding, Ming; Brambilla, Gilberto; Manna, Liberato; Lagoudakis, Pavlos

2013-01-01

Whispering-gallery-mode resonators have been extensively used in conjunction with different materials for the development of a variety of photonic devices. Among the latter, hybrid structures, consisting of dielectric microspheres and colloidal core/shell semiconductor nanocrystals as gain media, have attracted interest for the development of microlasers and studies of cavity quantum electrodynamic effects. Here we demonstrate single-exciton, single-mode, spectrally tuned lasing from ensembles of optical antenna-designed, colloidal core/shell CdSe/CdS quantum rods deposited on silica microspheres. We obtain single-exciton emission by capitalizing on the band structure of the specific core/shell architecture that strongly localizes holes in the core, and the two-dimensional quantum confinement of electrons across the elongated shell. This creates a type-II conduction band alignment driven by coulombic repulsion that eliminates non-radiative multi-exciton Auger recombination processes, thereby inducing a large exciton–bi-exciton energy shift. Their ultra-low thresholds and single-mode, single-exciton emission make these hybrid lasers appealing for various applications, including quantum information processing. PMID:23974520

Sound Transmission through Two Concentric Cylindrical Sandwich Shells

NASA Technical Reports Server (NTRS)

Tang, Yvette Y.; Silcox, Richard J.; Robinson, Jay H.

1996-01-01

This paper solves the problem of sound transmission through a system of two infinite concentric cylindrical sandwich shells. The shells are surrounded by external and internal fluid media and there is fluid (air) in the annular space between them. An oblique plane sound wave is incident upon the surface of the outer shell. A uniform flow is moving with a constant velocity in the external fluid medium. Classical thin shell theory is applied to the inner shell and first-order shear deformation theory is applied to the outer shell. A closed form for transmission loss is derived based on modal analysis. Investigations have been made for the impedance of both shells and the transmission loss through the shells from the exterior into the interior. Results are compared for double sandwich shells and single sandwich shells. This study shows that: (1) the impedance of the inner shell is much smaller than that of the outer shell so that the transmission loss is almost the same in both the annular space and the interior cavity of the shells; (2) the two concentric sandwich shells can produce an appreciable increase of transmission loss over single sandwich shells especially in the high frequency range; and (3) design guidelines may be derived with respect to the noise reduction requirement and the pressure in the annular space at a mid-frequency range.

Overview of Hanford Single Shell Tank (SST) Structural Integrity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rast, Richard S.; Washenfelder, Dennis J.; Johnson, Jeremy M.

2013-11-14

To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration, Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for themore » Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford Single-Shell Tanks. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS. The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford Single-Shell Tanks has concluded that the tanks are structurally sound and meet current industry standards. Analysis of the remaining Hanford Single-Shell Tanks is scheduled for FY2014. Hanford Single-Shell Tanks are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of the concrete tanks, looking for cracks and other surface conditions that may indicate signs of structural distress. The condition of the concrete and rebar of the Hanford Single-Shell Tanks is currently being tested and planned for additional activities in the near future. Concrete and rebar removed from the dome of a 65 year old tank was tested for mechanics properties and condition. Results indicated stronger than designed concrete with additional Petrographic examination and rebar completed. Material properties determined from previous efforts combined with current testing and construction document review will help to generate a database that will provide indication of Hanford Single-Shell Tank structural integrity.« less

TEMPORAL EVOLUTION OF SUB-NANOMETER COMPOSITIONAL PROFILES ACROSS THE GAMMA/GAMMA' INTERFACE IN A MODEL Ni-Al-Cr SUPERALLOY

NASA Technical Reports Server (NTRS)

Sudbrack, Chantal K.; Noebe, Ronald D.; Seidman, David N.

2005-01-01

Early-stage phase separation in a Ni-5.2 Al-14.2 Cr at.% superalloy, isothermally decomposing at 873 K, is investigated with atom-probe tomography. Sub-nanometer scale compositional profiles across the gamma/gamma'(L12) interfaces demonstrate that both the gamma-matrix and the gamma'-precipitate compositions evolve with time. Observed chemical gradients of Al depletion and Cr enrichment adjacent to the gamma'-precipitates are transient, consistent with well-established model predictions for diffusion-limited growth, and mark the first detailed observation of this phenomenon. Furthermore, it is shown that Cr atoms are kinetically trapped in the growing precipitates.

Fischer–Tropsch Synthesis at a Low Pressure on Subnanometer Cobalt Oxide Clusters: The Effect of Cluster Size and Support on Activity and Selectivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sungsik; Lee, Byeongdu; Seifert, Sönke

2015-05-21

In this study, the catalytic activity and changes in the oxidation state during the Fischer Tropsch (FT) reaction was investigated on subnanometer size-selected cobalt clusters deposited on oxide (Al2O3, MgO) and carbon-based (ultrananocrystalline diamond UNCD) supports by temperature programmed reaction (TPRx) combined with in-situ grazing-incidence X-ray absorption characterization (GIXAS). The activity and selectivity of ultrasmall cobalt clusters exhibits a very strong dependence on cluster size and support. The evolution of the oxidation state of metal cluster during the reaction reveals that metal-support interaction plays a key role in the reaction.

Comprehensive analyses of core-shell InGaN/GaN single nanowire photodiodes

NASA Astrophysics Data System (ADS)

Zhang, H.; Guan, N.; Piazza, V.; Kapoor, A.; Bougerol, C.; Julien, F. H.; Babichev, A. V.; Cavassilas, N.; Bescond, M.; Michelini, F.; Foldyna, M.; Gautier, E.; Durand, C.; Eymery, J.; Tchernycheva, M.

2017-12-01

Single nitride nanowire core/shell n-p photodetectors are fabricated and analyzed. Nanowires consisting of an n-doped GaN stem, a radial InGaN/GaN multiple quantum well system and a p-doped GaN external shell were grown by catalyst-free metal-organic vapour phase epitaxy on sapphire substrates. Single nanowires were dispersed and the core and the shell regions were contacted with a metal and an ITO deposition, respectively, defined using electron beam lithography. The single wire photodiodes present a response in the visible to UV spectral range under zero external bias. The detector operation speed has been analyzed under different bias conditions. Under zero bias, the  -3 dB cut-off frequency is ~200 Hz for small light modulations. The current generation was modeled using non-equilibrium Green function formalism, which evidenced the importance of phonon scattering for carrier extraction from the quantum wells.

Ultrafast selective transport of alkali metal ions in metal organic frameworks with subnanometer pores

PubMed Central

Zhang, Huacheng; Hou, Jue; Hu, Yaoxin; Wang, Peiyao; Ou, Ranwen; Jiang, Lei; Liu, Jefferson Zhe; Freeman, Benny D.; Hill, Anita J.; Wang, Huanting

2018-01-01

Porous membranes with ultrafast ion permeation and high ion selectivity are highly desirable for efficient mineral separation, water purification, and energy conversion, but it is still a huge challenge to efficiently separate monatomic ions of the same valence and similar sizes using synthetic membranes. We report metal organic framework (MOF) membranes, including ZIF-8 and UiO-66 membranes with uniform subnanometer pores consisting of angstrom-sized windows and nanometer-sized cavities for ultrafast selective transport of alkali metal ions. The angstrom-sized windows acted as ion selectivity filters for selection of alkali metal ions, whereas the nanometer-sized cavities functioned as ion conductive pores for ultrafast ion transport. The ZIF-8 and UiO-66 membranes showed a LiCl/RbCl selectivity of ~4.6 and ~1.8, respectively, which are much greater than the LiCl/RbCl selectivity of 0.6 to 0.8 measured in traditional porous membranes. Molecular dynamics simulations suggested that ultrafast and selective ion transport in ZIF-8 was associated with partial dehydration effects. This study reveals ultrafast and selective transport of monovalent ions in subnanometer MOF pores and opens up a new avenue to develop unique MOF platforms for efficient ion separations in the future. PMID:29487910

Ultrafast selective transport of alkali metal ions in metal organic frameworks with subnanometer pores.

PubMed

Zhang, Huacheng; Hou, Jue; Hu, Yaoxin; Wang, Peiyao; Ou, Ranwen; Jiang, Lei; Liu, Jefferson Zhe; Freeman, Benny D; Hill, Anita J; Wang, Huanting

2018-02-01

Porous membranes with ultrafast ion permeation and high ion selectivity are highly desirable for efficient mineral separation, water purification, and energy conversion, but it is still a huge challenge to efficiently separate monatomic ions of the same valence and similar sizes using synthetic membranes. We report metal organic framework (MOF) membranes, including ZIF-8 and UiO-66 membranes with uniform subnanometer pores consisting of angstrom-sized windows and nanometer-sized cavities for ultrafast selective transport of alkali metal ions. The angstrom-sized windows acted as ion selectivity filters for selection of alkali metal ions, whereas the nanometer-sized cavities functioned as ion conductive pores for ultrafast ion transport. The ZIF-8 and UiO-66 membranes showed a LiCl/RbCl selectivity of ~4.6 and ~1.8, respectively, which are much greater than the LiCl/RbCl selectivity of 0.6 to 0.8 measured in traditional porous membranes. Molecular dynamics simulations suggested that ultrafast and selective ion transport in ZIF-8 was associated with partial dehydration effects. This study reveals ultrafast and selective transport of monovalent ions in subnanometer MOF pores and opens up a new avenue to develop unique MOF platforms for efficient ion separations in the future.

Heat transfer and thermal management of electric vehicle batteries with phase change materials

NASA Astrophysics Data System (ADS)

Ramandi, M. Y.; Dincer, I.; Naterer, G. F.

2011-07-01

This paper examines a passive thermal management system for electric vehicle batteries, consisting of encapsulated phase change material (PCM) which melts during a process to absorb the heat generated by a battery. A new configuration for the thermal management system, using double series PCM shells, is analyzed with finite volume simulations. A combination of computational fluid dynamics (CFD) and second law analysis is used to evaluate and compare the new system against the single PCM shells. Using a finite volume method, heat transfer in the battery pack is examined and the results are used to analyse the exergy losses. The simulations provide design guidelines for the thermal management system to minimize the size and cost of the system. The thermal conductivity and melting temperature are studied as two important parameters in the configuration of the shells. Heat transfer from the surroundings to the PCM shell in a non-insulated case is found to be infeasible. For a single PCM system, the exergy efficiency is below 50%. For the second case for other combinations, the exergy efficiencies ranged from 30-40%. The second shell content did not have significant influence on the exergy efficiencies. The double PCM shell system showed higher exergy efficiencies than the single PCM shell system (except a case for type PCM-1). With respect to the reference environment, it is found that in all cases the exergy efficiencies decreased, when the dead-state temperatures rises, and the destroyed exergy content increases gradually. For the double shell systems for all dead-state temperatures, the efficiencies were very similar. Except for a dead-state temperature of 302 K, with the other temperatures, the exergy efficiencies for different combinations are well over 50%. The range of exergy efficiencies vary widely between 15 and 85% for a single shell system, and between 30-80% for double shell systems.

Simulation-based Discovery of Cyclic Peptide Nanotubes

NASA Astrophysics Data System (ADS)

Ruiz Pestana, Luis A.

Today, there is a growing need for environmentally friendly synthetic membranes with selective transport capabilities to address some of society's most pressing issues, such as carbon dioxide pollution, or access to clean water. While conventional membranes cannot stand up to the challenge, thin nanocomposite membranes, where vertically aligned subnanometer pores (e.g. nanotubes) are embedded in a thin polymeric film, promise to overcome some of the current limitations, namely, achieving a monodisperse distribution of subnanometer size pores, vertical pore alignment across the membrane thickness, and tunability of the pore surface chemistry. Self-assembled cyclic peptide nanotubes (CPNs), are particularly promising as selective nanopores because the pore size can be controlled at the subnanometer level, exhibit high chemical design flexibility, and display remarkable mechanical stability. In addition, when conjugated with polymer chains, the cyclic peptides can co-assemble in block copolymer domains to form nanoporous thin films. CPNs are thus well positioned to tackle persistent challenges in molecular separation applications. However, our poor understanding of the physics underlying their remarkable properties prevents the rational design and implementation of CPNs in technologically relevant membranes. In this dissertation, we use a simulation-based approach, in particular molecular dynamics (MD) simulations, to investigate the critical knowledge gaps hindering the implementation of CPNs. Computational mechanical tests show that, despite the weak nature of the stabilizing hydrogen bonds and the small cross section, CPNs display a Young's modulus of approximately 20 GPa and a maximum strength of around 1 GPa, placing them among the strongest proteinaceous materials known. Simulations of the self-assembly process reveal that CPNs grow by self-similar coarsening, contrary to other low-dimensional peptide systems, such as amyloids, that are believed to grow through nucleation and elongation. We also establish a generic route that does not require complex chemical synthesis pathways or elaborated design rules to direct the self-assembly of binary mixtures of polymer conjugated cyclic peptides towards nanotubes with specific stripped patterns. The study of the molecular transport properties shows that bioinspired single point amino acid mutations can be effectively used to regulate the ion flow rate over an order of magnitude depending on the size and polarity of the functional groups inserted in the nanotube lumen. Our computational framework circumvents synthetic challenges, and lays the foundation for developing artificial nanochannels for separation applications.

Magnetically controlled multifrequency invisibility cloak with a single shell of ferrite material

NASA Astrophysics Data System (ADS)

Wang, Xiaohua; Liu, Youwen

2015-02-01

A magnetically controlled multifrequency invisibility cloak with a single shell of the isotropic and homogeneous ferrite material has been investigated based on the scattering cancellation method from the Mie scattering theory. The analytical and simulated results have demonstrated that such this shell can drastically reduce the total scattering cross-section of this cloaking system at multiple frequencies. These multiple cloaking frequencies of this shell can be externally controlled since the magnetic permeability of ferrites is well tuned by the applied magnetic field. This may provide a potential way to design a tunable multifrequency invisibility cloak with considerable flexibility.

Characterization of core–shell MOF particles by depth profiling experiments using on-line single particle mass spectrometry

DOE PAGES

Cahill, J. F.; Fei, H.; Cohen, S. M.; ...

2015-01-05

Materials with core-shell structures have distinct properties that lend themselves to a variety of potential applications. Characterization of small particle core-shell materials presents a unique analytical challenge. Herein, single particles of solid-state materials with core-shell structures were measured using on-line aerosol time-of-flight mass spectrometry (ATOFMS). Laser 'depth profiling' experiments verified the core-shell nature of two known core-shell particle configurations (< 2 mu m diameter) that possessed inverted, complimentary core-shell compositions (ZrO2@SiO2 versus SiO2@ZrO2). The average peak area ratios of Si and Zr ions were calculated to definitively show their core-shell composition. These ratio curves acted as a calibrant for anmore » uncharacterized sample - a metal-organic framework (MOF) material surround by silica (UiO-66(Zr)@SiO2; UiO = University of Oslo). ATOFMS depth profiling was used to show that these particles did indeed exhibit a core-shell architecture. The results presented here show that ATOFMS can provide unique insights into core-shell solid-state materials with particle diameters between 0.2-3 mu m.« less

Triggered high-purity telecom-wavelength single-photon generation from p-shell-driven InGaAs/GaAs quantum dot.

PubMed

Dusanowski, Ł; Holewa, P; Maryński, A; Musiał, A; Heuser, T; Srocka, N; Quandt, D; Strittmatter, A; Rodt, S; Misiewicz, J; Reitzenstein, S; Sęk, G

2017-12-11

We report on the experimental demonstration of triggered single-photon emission at the telecom O-band from In(Ga)As/GaAs quantum dots (QDs) grown by metal-organic vapor-phase epitaxy. Micro-photoluminescence excitation experiments allowed us to identify the p-shell excitonic states in agreement with high excitation photoluminescence on the ensemble of QDs. Hereby we drive an O-band-emitting GaAs-based QD into the p-shell states to get a triggered single photon source of high purity. Applying pulsed p-shell resonant excitation results in strong suppression of multiphoton events evidenced by the as measured value of the second-order correlation function at zero delay of 0.03 (and ~0.005 after background correction).

Chemical Structure, Ensemble and Single-Particle Spectroscopy of Thick-Shell InP-ZnSe Quantum Dots.

PubMed

Reid, Kemar R; McBride, James R; Freymeyer, Nathaniel J; Thal, Lucas B; Rosenthal, Sandra J

2018-02-14

Thick-shell (>5 nm) InP-ZnSe colloidal quantum dots (QDs) grown by a continuous-injection shell growth process are reported. The growth of a thick crystalline shell is attributed to the high temperature of the growth process and the relatively low lattice mismatch between the InP core and ZnSe shell. In addition to a narrow ensemble photoluminescence (PL) line-width (∼40 nm), ensemble and single-particle emission dynamics measurements indicate that blinking and Auger recombination are reduced in these heterostructures. More specifically, high single-dot ON-times (>95%) were obtained for the core-shell QDs, and measured ensemble biexciton lifetimes, τ 2x ∼ 540 ps, represent a 7-fold increase compared to InP-ZnS QDs. Further, high-resolution energy dispersive X-ray (EDX) chemical maps directly show for the first time significant incorporation of indium into the shell of the InP-ZnSe QDs. Examination of the atomic structure of the thick-shell QDs by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) reveals structural defects in subpopulations of particles that may mitigate PL efficiencies (∼40% in ensemble), providing insight toward further synthetic refinement. These InP-ZnSe heterostructures represent progress toward fully cadmium-free QDs with superior photophysical properties important in biological labeling and other emission-based technologies.

Test procedures and instructions for single shell tank saltcake cesium removal with crystalline silicotitanate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duncan, J.B.

1997-01-07

This document provides specific test procedures and instructions to implement the test plan for the preparation and conduct of a cesium removal test, using Hanford Single Shell Tank Saltcake from tanks 24 t -BY- I 10, 24 1 -U- 108, 24 1 -U- 109, 24 1 -A- I 0 1, and 24 t - S-102, in a bench-scale column. The cesium sorbent to be tested is crystalline siticotitanate. The test plan for which this provides instructions is WHC-SD-RE-TP-024, Hanford Single Shell Tank Saltcake Cesium Removal Test Plan.

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part I: Linear Theory

NASA Technical Reports Server (NTRS)

Goldman, Benjamin D.; Dowell, Earl H.; Scott, Robert C.

2014-01-01

Conical shell theory and piston theory aerodynamics are used to study the aeroelastic stability of the thermal protection system (TPS) on the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). Structural models of the TPS consist of single or multiple orthotropic conical shell systems resting on several circumferential linear elastic supports. The shells in each model may have pinned (simply-supported) or elastically-supported edges. The Lagrangian is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the equations of motion. The natural modes of vibration and aeroelastic stability boundaries are found by calculating the eigenvalues and eigenvectors of a large coefficient matrix. When the in-flight configuration of the TPS is approximated as a single shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case. Aeroelastic models that consider the individual TPS layers as separate shells tend to flutter asymmetrically at high dynamic pressures relative to the single shell models. Several parameter studies also examine the effects of tension, orthotropicity, and elastic support stiffness.

In Situ Study of Silicon Electrode Lithiation with X-ray Reflectivity

DOE PAGES

Cao, Chuntian; Steinrück, Hans-Georg; Shyam, Badri; ...

2016-10-26

Surface sensitive X-ray reflectivity (XRR) measurements were performed to investigate the electrochemical lithiation of a native oxide terminated single crystalline silicon (100) electrode in real time during the first galvanostatic discharge cycle. This allows us to gain nanoscale, mechanistic insight into the lithiation of Si and the formation of the solid electrolyte interphase (SEI). We describe an electrochemistry cell specifically designed for in situ XRR studies and have determined the evolution of the electron density profile of the lithiated Si layer (Li xSi) and the SEI layer with subnanometer resolution. We propose a three-stage lithiation mechanism with a reaction limited,more » layer-by-layer lithiation of the Si at the Li xSi/Si interface.« less

Figuring large optics at the sub-nanometer level: compensation for coating and gravity distortions.

PubMed

Gensemer, Stephen; Gross, Mark

2015-11-30

Large, precision optics can now be manufactured with surface figures specified at the sub-nanometer level. However, coatings and gravity deform large optics, and there are limits to what can be corrected by clever compensation. Instead, deformations caused by stress from optical mounts and deposited coatings must be incorporated into the optical design. We demonstrate compensation of coating stress on a 370mm substrate to λ/200 by a process of coating and annealing. We also model the same process and identify the leading effects that must be anticipated in fabrication of optics for future gravitational wave detectors and other applications of large, precisely figured optics, and identify the limitations inherent in using coatings to compensate for these deformations.

Sub-nanometer surface chemistry and orbital hybridization in lanthanum-doped ceria nano-catalysts revealed by 3D electron microscopy.

PubMed

Collins, Sean M; Fernandez-Garcia, Susana; Calvino, José J; Midgley, Paul A

2017-07-14

Surface chemical composition, electronic structure, and bonding characteristics determine catalytic activity but are not resolved for individual catalyst particles by conventional spectroscopy. In particular, the nano-scale three-dimensional distribution of aliovalent lanthanide dopants in ceria catalysts and their effect on the surface electronic structure remains unclear. Here, we reveal the surface segregation of dopant cations and oxygen vacancies and observe bonding changes in lanthanum-doped ceria catalyst particle aggregates with sub-nanometer precision using a new model-based spectroscopic tomography approach. These findings refine our understanding of the spatially varying electronic structure and bonding in ceria-based nanoparticle aggregates with aliovalent cation concentrations and identify new strategies for advancing high efficiency doped ceria nano-catalysts.

Diagenetic changes in Concholepas concholepas shells (Gastropoda, Muricidae) in the hyper-arid conditions of Northern Chile - implications for palaeoenvironmental reconstructions

NASA Astrophysics Data System (ADS)

Guzmán, N.; Dauphin, Y.; Cuif, J. P.; Denis, A.; Ortlieb, L.

2009-02-01

Variations in the chemical composition of fossil biogenic carbonates, and in particular of mollusc shells, have been used in a range of palaeoenvironmental reconstructions. It is of primary importance, therefore, to detect and understand the diagenetic processes that may modify the original chemical signature. This microstructural and biogeochemical study focuses on modern and fossil (Holocene and Pleistocene) shells of a littoral gastropod of Northern Chile, and on the characterization of mineral component transformations at the nanometric scale and concomitant intracrystalline organic compound modifications. The inner aragonite layer of the shell exhibits more complex deteriorations than the calcite layer. This preliminary study confirms that physical and chemical alterations of various components of mollusc shell biocrystals are complex and might manifest in different ways even within a single individual. The single criterion of determining the mineralogical composition to verify the conservation state of shell samples is insufficient.

Diagenetic changes in Concholepas concholepas shells (Gastropoda, Muricidae) in the hyper-arid conditions of Northern Chile - implications for palaeoenvironmental reconstructions

NASA Astrophysics Data System (ADS)

Guzman, N.; Dauphin, Y.; Cuif, J. P.; Denis, A.; Ortlieb, L.

2008-02-01

Variations on chemical composition in fossil biogenic carbonates, and in particular of mollusk shells, have been used in a range of palaeoenvironmental reconstructions. Therefore, it is of primary importance to detect and understand the diagenetic processes that may modify the original chemical signature. This microstructural and biogeochemical study focuses on modern and fossil (Pleistocene and Holocene) shells of a littoral gastropod of Northern Chile, and on the characterization of mineral component transformations at the nanometric scale and concomitant intracrystalline organic compound modifications. The inner aragonite layer of the shell exhibits more complex deteriorations than the calcite layer. This preliminary study confirms that physical and chemical alterations of various components of mollusk shell biocrystals are complex and might manifest in different ways even within a single individual. The single criterion of determining the mineralogical composition to attest shell sample conservation state should not be considered as sufficient.

Singlet-paired coupled cluster theory for open shells

NASA Astrophysics Data System (ADS)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2016-06-01

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior for strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.

Nonpolar InGaN/GaN Core-Shell Single Nanowire Lasers.

PubMed

Li, Changyi; Wright, Jeremy B; Liu, Sheng; Lu, Ping; Figiel, Jeffrey J; Leung, Benjamin; Chow, Weng W; Brener, Igal; Koleske, Daniel D; Luk, Ting-Shan; Feezell, Daniel F; Brueck, S R J; Wang, George T

2017-02-08

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core-shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core-shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core-shell nanowires, despite significantly shorter cavity lengths and reduced active region volume. Mode simulations show that due to the core-shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. The results show the viability of this p-i-n nonpolar core-shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV-visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.

Nonpolar InGaN/GaN core–shell single nanowire lasers

DOE PAGES

Li, Changyi; Wright, Jeremy Benjamin; Liu, Sheng; ...

2017-01-24

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core–shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core–shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core–shell nanowires, despite significantly shorter cavity lengths and reducedmore » active region volume. Mode simulations show that due to the core–shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. Furthermore, the results show the viability of this p-i-n nonpolar core–shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV–visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.« less

Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes.

PubMed

Vasylenko, Andrij; Marks, Samuel; Wynn, Jamie M; Medeiros, Paulo V C; Ramasse, Quentin M; Morris, Andrew J; Sloan, Jeremy; Quigley, David

2018-05-25

Nanostructuring, e. g., reduction of dimensionality in materials, offers a viable route toward regulation of materials electronic and hence functional properties. Here, we present the extreme case of nanostructuring, exploiting the capillarity of single-walled carbon nanotubes (SWCNTs) for the synthesis of the smallest possible SnTe nanowires with cross sections as thin as a single atom column. We demonstrate that by choosing the appropriate diameter of a template SWCNT, we can manipulate the structure of the quasi-one-dimensional (1D) SnTe to design electronic behavior. From first principles, we predict the structural re-formations that SnTe undergoes in varying encapsulations and confront the prediction with TEM imagery. To further illustrate the control of physical properties by nanostructuring, we study the evolution of transport properties in a homologous series of models of synthesized and isolated SnTe nanowires varying only in morphology and atomic layer thickness. This extreme scaling is predicted to significantly enhance thermoelectric performance of SnTe, offering a prospect for further experimental studies and future applications.

Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilbert, S. Matt; Dunn, Gabriel; Azizi, Amin

Here, we demonstrate the fabrication of individual nanopores in hexagonal boron nitride (h-BN) with atomically precise control of the pore shape and size. Previous methods of pore production in other 2D materials typically create pores with irregular geometry and imprecise diameters. In contrast, other studies have shown that with careful control of electron irradiation, defects in h-BN grow with pristine zig-zag edges at quantized triangular sizes, but they have failed to demonstrate production and control of isolated defects. In this work, we combine these techniques to yield a method in which we can create individual size-quantized triangular nanopores through anmore » h-BN sheet. The pores are created using the electron beam of a conventional transmission electron microscope; which can strip away multiple layers of h-BN exposing single-layer regions, introduce single vacancies, and preferentially grow vacancies only in the single-layer region. We further demonstrate how the geometry of these pores can be altered beyond triangular by changing beam conditions. Precisely size- and geometry-tuned nanopores could find application in molecular sensing, DNA sequencing, water desalination, and molecular separation.« less

Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride

DOE PAGES

Gilbert, S. Matt; Dunn, Gabriel; Azizi, Amin; ...

2017-11-08

Here, we demonstrate the fabrication of individual nanopores in hexagonal boron nitride (h-BN) with atomically precise control of the pore shape and size. Previous methods of pore production in other 2D materials typically create pores with irregular geometry and imprecise diameters. In contrast, other studies have shown that with careful control of electron irradiation, defects in h-BN grow with pristine zig-zag edges at quantized triangular sizes, but they have failed to demonstrate production and control of isolated defects. In this work, we combine these techniques to yield a method in which we can create individual size-quantized triangular nanopores through anmore » h-BN sheet. The pores are created using the electron beam of a conventional transmission electron microscope; which can strip away multiple layers of h-BN exposing single-layer regions, introduce single vacancies, and preferentially grow vacancies only in the single-layer region. We further demonstrate how the geometry of these pores can be altered beyond triangular by changing beam conditions. Precisely size- and geometry-tuned nanopores could find application in molecular sensing, DNA sequencing, water desalination, and molecular separation.« less

Geochemical Processes Data Package for the Vadose Zone in the Single-Shell Tank Waste Management Areas at the Hanford Site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cantrell, Kirk J.; Zachara, John M.; Dresel, P. Evan

This data package discusses the geochemistry of vadose zone sediments beneath the single-shell tank farms at the U.S. Department of Energy’s (DOE’s) Hanford Site. The purpose of the report is to provide a review of the most recent and relevant geochemical process information available for the vadose zone beneath the single-shell tank farms and the Integrated Disposal Facility. Two companion reports to this one were recently published which discuss the geology of the farms (Reidel and Chamness 2007) and groundwater flow and contamination beneath the farms (Horton 2007).

Assessment of single-shell tank residual-liquid issues at Hanford Site, Washington

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murthy, K.S.; Stout, L.A.; Napier, B.A.

1983-06-01

This report provides an assessment of the overall effectiveness and implications of jet pumping the interstitial liquids (IL) from single-shell tanks at Hanford. The jet-pumping program, currently in progress at Hanford, involves the planned removal of IL contained in 89 of the 149 single-shell tanks and its transfer to double-shell tanks after volume reduction by evaporation. The purpose of this report is to estimate the public and worker doses associated with (1) terminating pumping immediately, (2) pumping to a 100,000-gal limit per tank, (3) pumping to a 50,000-gal limit per tank, and (4) pumping to the maximum practical liquid removalmore » level of 30,000 gal. Assessment of the cost-effectiveness of these various levels of pumping in minimizing any undue health and safety risks to the public or worker is also presented.« less

Diffraction data of core-shell nanoparticles from an X-ray free electron laser

DOE PAGES

Li, Xuanxuan; Chiu, Chun -Ya; Wang, Hsiang -Ju; ...

2017-04-11

X-ray free-electron lasers provide novel opportunities to conduct single particle analysis on nanoscale particles. Coherent diffractive imaging experiments were performed at the Linac Coherent Light Source (LCLS), SLAC National Laboratory, exposing single inorganic core-shell nanoparticles to femtosecond hard-X-ray pulses. Each facetted nanoparticle consisted of a crystalline gold core and a differently shaped palladium shell. Scattered intensities were observed up to about 7 nm resolution. Analysis of the scattering patterns revealed the size distribution of the samples, which is consistent with that obtained from direct real-space imaging by electron microscopy. Furthermore, scattering patterns resulting from single particles were selected and compiledmore » into a dataset which can be valuable for algorithm developments in single particle scattering research.« less

Target electron ionization in Li2+-Li collisions: A multi-electron perspective

NASA Astrophysics Data System (ADS)

Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

2015-05-01

The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

Perspectives on land snails - sampling strategies for isotopic analyses

NASA Astrophysics Data System (ADS)

Kwiecien, Ola; Kalinowski, Annika; Kamp, Jessica; Pellmann, Anna

2017-04-01

Since the seminal works of Goodfriend (1992), several substantial studies confirmed a relation between the isotopic composition of land snail shells (d18O, d13C) and environmental parameters like precipitation amount, moisture source, temperature and vegetation type. This relation, however, is not straightforward and site dependent. The choice of sampling strategy (discrete or bulk sampling) and cleaning procedure (several methods can be used, but comparison of their effects in an individual shell has yet not been achieved) further complicate the shell analysis. The advantage of using snail shells as environmental archive lies in the snails' limited mobility, and therefore an intrinsic aptitude of recording local and site-specific conditions. Also, snail shells are often found at dated archaeological sites. An obvious drawback is that shell assemblages rarely make up a continuous record, and a single shell is only a snapshot of the environmental setting at a given time. Shells from archaeological sites might represent a dietary component and cooking would presumably alter the isotopic signature of aragonite material. Consequently, a proper sampling strategy is of great importance and should be adjusted to the scientific question. Here, we compare and contrast different sampling approaches using modern shells collected in Morocco, Spain and Germany. The bulk shell approach (fine-ground material) yields information on mean environmental parameters within the life span of analyzed individuals. However, despite homogenization, replicate measurements of bulk shell material returned results with a variability greater than analytical precision (up to 2‰ for d18O, and up to 1‰ for d13C), calling for caution analyzing only single individuals. Horizontal high-resolution sampling (single drill holes along growth lines) provides insights into the amplitude of seasonal variability, while vertical high-resolution sampling (multiple drill holes along the same growth line) produces replicable results. This reproducibility enables not only sequential testing of isotopic changes in shells exposed to artificially elevated temperatures, but also systematic assessment of different cleaning methods. Goodfriend, 1992. The use of land snail shells in paleoenvironmental reconstruction, EPSL 11, 655-685

Absolute measurement of subnanometer scale vibration of cochlear partition of an excised guinea pig cochlea using spectral-domain phase-sensitive optical coherence tomography

NASA Astrophysics Data System (ADS)

Subhash, Hrebesh M.; Choudhury, Niloy; Jacques, Steven L.; Wang, Ruikang K.; Chen, Fangyi; Zha, Dingjun; Nuttall, Alfred L.

2012-01-01

Direct measurement of absolute vibration parameters from different locations within the mammalian organ of Corti is crucial for understanding the hearing mechanics such as how sound propagates through the cochlea and how sound stimulates the vibration of various structures of the cochlea, namely, basilar membrane (BM), recticular lamina, outer hair cells and tectorial membrane (TM). In this study we demonstrate the feasibility a modified phase-sensitive spectral domain optical coherence tomography system to provide subnanometer scale vibration information from multiple angles within the imaging beam. The system has the potential to provide depth resolved absolute vibration measurement of tissue microstructures from each of the delay-encoded vibration images with a noise floor of ~0.3nm at 200Hz.

Testing the assumption of annual shell ring deposition in freshwater mussels

Treesearch

Wendell R. Haag; Amy M. Commens-Carson

2008-01-01

We tested the assumption of annual shell ring deposition by freshwater mussels in three rivers using 17 species. In 2000, we notched shell margins, returned animals to the water, and retrieved them in 2001. In 2003, we measured shells, affixed numbered tags, returned animals, and retrieved them in 2004 and 2005. We validated deposition of a single internal annulus per...

The oil palm Shell gene controls oil yield and encodes a homologue of SEEDSTICK

PubMed Central

Singh, Rajinder; Leslie Low, Eng-Ti; Ooi, Leslie Cheng-Li; Ong-Abdullah, Meilina; Chin, Ting Ngoot; Nagappan, Jayanthi; Nookiah, Rajanaidu; Amiruddin, Mohd Din; Rosli, Rozana; Abdul Manaf, Mohamad Arif; Chan, Kuang-Lim; Halim, Mohd Amin; Azizi, Norazah; Lakey, Nathan; Smith, Steven W; Budiman, Muhammad A; Hogan, Michael; Bacher, Blaire; Van Brunt, Andrew; Wang, Chunyan; Ordway, Jared M; Sambanthamurthi, Ravigadevi; Martienssen, Robert A

2014-01-01

A key event in the domestication and breeding of the oil palm, Elaeis guineensis, was loss of the thick coconut-like shell surrounding the kernel. Modern E. guineensis has three fruit forms, dura (thick-shelled), pisifera (shell-less) and tenera (thin-shelled), a hybrid between dura and pisifera1–4. The pisifera palm is usually female-sterile but the tenera yields far more oil than dura, and is the basis for commercial palm oil production in all of Southeast Asia5. Here, we describe the mapping and identification of the Shell gene responsible for the different fruit forms. Using homozygosity mapping by sequencing we found two independent mutations in the DNA binding domain of a homologue of the MADS-box gene SEEDSTICK (STK) which controls ovule identity and seed development in Arabidopsis. The Shell gene is responsible for the tenera phenotype in both cultivated and wild palms from sub-Saharan Africa, and our findings provide a genetic explanation for the single gene heterosis attributed to Shell, via heterodimerization. This gene mutation explains the single most important economic trait in oil palm, and has implications for the competing interests of global edible oil production, biofuels and rainforest conservation6. PMID:23883930

Study of the effect of varying core diameter, shell thickness and strain velocity on the tensile properties of single crystals of Cu-Ag core-shell nanowire using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sarkar, Jit; Das, D. K.

2018-01-01

Core-shell type nanostructures show exceptional properties due to their unique structure having a central solid core of one type and an outer thin shell of another type which draw immense attention among researchers. In this study, molecular dynamics simulations are carried out on single crystals of copper-silver core-shell nanowires having wire diameter ranging from 9 to 30 nm with varying core diameter, shell thickness, and strain velocity. The tensile properties like yield strength, ultimate tensile strength, and Young's modulus are studied and correlated by varying one parameter at a time and keeping the other two parameters constant. The results obtained for a fixed wire size and different strain velocities were extrapolated to calculate the tensile properties like yield strength and Young's modulus at standard strain rate of 1 mm/min. The results show ultra-high tensile properties of copper-silver core-shell nanowires, several times than that of bulk copper and silver. These copper-silver core-shell nanowires can be used as a reinforcing agent in bulk metal matrix for developing ultra-high strength nanocomposites.

Microwave moisture meter for in-shell almonds.

USDA-ARS?s Scientific Manuscript database

Determining almond kernel moisture content while still in the shell is important for both almond growers and processors. A dielectric method was developed for almond kernel moisture determination from dielectric measurements on in-shell almonds at a single microwave frequency. A sample holder was fi...

Improvement of Progressive Damage Model to Predicting Crashworthy Composite Corrugated Plate

NASA Astrophysics Data System (ADS)

Ren, Yiru; Jiang, Hongyong; Ji, Wenyuan; Zhang, Hanyu; Xiang, Jinwu; Yuan, Fuh-Gwo

2018-02-01

To predict the crashworthy composite corrugated plate, different single and stacked shell models are evaluated and compared, and a stacked shell progressive damage model combined with continuum damage mechanics is proposed and investigated. To simulate and predict the failure behavior, both of the intra- and inter- laminar failure behavior are considered. The tiebreak contact method, 1D spot weld element and cohesive element are adopted in stacked shell model, and a surface-based cohesive behavior is used to capture delamination in the proposed model. The impact load and failure behavior of purposed and conventional progressive damage models are demonstrated. Results show that the single shell could simulate the impact load curve without the delamination simulation ability. The general stacked shell model could simulate the interlaminar failure behavior. The improved stacked shell model with continuum damage mechanics and cohesive element not only agree well with the impact load, but also capture the fiber, matrix debonding, and interlaminar failure of composite structure.

1999 Leak Detection and Monitoring and Mitigation Strategy Update

DOE Office of Scientific and Technical Information (OSTI.GOV)

OHL, P.C.

This document is a complete revision of WHC-SD-WM-ES-378, Rev 1. This update includes recent developments in Leak Detection, Leak Monitoring, and Leak Mitigation technologies, as well as, recent developments in single-shell tank retrieval technologies. In addition, a single-shell tank retrieval release protection strategy is presented.

Single and multi-layered core-shell structures based on ZnO nanorods obtained by aerosol assisted chemical vapor deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sáenz-Trevizo, A.; Amézaga-Madrid, P.; Pizá-Ruiz, P.

2015-07-15

Core–shell nanorod structures were prepared by a sequential synthesis using an aerosol assisted chemical vapor deposition technique. Several samples consisting of ZnO nanorods were initially grown over TiO{sub 2} film-coated borosilicate glass substrates, following the synthesis conditions reported elsewhere. Later on, a uniform layer consisting of individual Al, Ni, Ti or Fe oxides was grown onto ZnO nanorod samples forming the so-called single MO{sub x}/ZnO nanorod core–shell structures, where MO{sub x} was the metal oxide shell. Additionally, a three-layer core–shell sample was developed by growing Fe, Ti and Fe oxides alternately, onto the ZnO nanorods. The microstructure of the core–shellmore » materials was characterized by grazing incidence X-ray diffraction, scanning and transmission electron microscopy. Energy dispersive X-ray spectroscopy was employed to corroborate the formation of different metal oxides. X-ray diffraction outcomes for single core–shell structures showed solely the presence of ZnO as wurtzite and TiO{sub 2} as anatase. For the multi-layered shell sample, the existence of Fe{sub 2}O{sub 3} as hematite was also detected. Morphological observations suggested the existence of an outer material grown onto the nanorods and further microstructural analysis by HR-STEM confirmed the development of core–shell structures in all cases. These studies also showed that the individual Al, Fe, Ni and Ti oxide layers are amorphous; an observation that matched with X-ray diffraction analysis where no apparent extra oxides were detected. For the multi-layered sample, the development of a shell consisting of three different oxide layers onto the nanorods was found. Overall results showed that no alteration in the primary ZnO core was produced during the growth of the shells, indicating that the deposition technique used herein was and it is suitable for the synthesis of homogeneous and complex nanomaterials high in quality and purity. In addition, materials absorptance determined from the total transmittance and reflectance spectra revealed a broader absorption interval including visible light, indicating potential uses of these nanostructures on solar energy appliances. - Graphical abstract: Display Omitted - Highlights: • Uniform ZnO nanorods (core)–metal oxide (shell) were obtained sequentially by AACVD. • Shells were structured of homogeneous single or multi-layered non-mixed metal oxides. • ZnO nanorod core was preserved during the shell synthesis. • Optical absorptance revealed visible interval absorption for FeO{sub x} shell samples. • Materials can be suitable for photocatalytic or photovoltaic applications.« less

Interfacial complexation in microfluidic droplets for single-step fabrication of microcapsule

NASA Astrophysics Data System (ADS)

Kaufman, Gilad; Nejati, Siamak; Sarfati, Raphael; Boltyanskiy, Rostislav; Williams, Danielle; Liu, Wei; Schloss, Ashley; Regan, Lynn; Yan, Elsa; Dufrense, Eric; Loewenberg, Michael; Osuji, Chinedum

We present microfluidic interfacial complexation in emulsion droplets as a simple single-step approach for fabricating a large variety of stable monodisperse microcapsules with tailored mechanical properties, protein binding and controlled release behavior. We rely on electrostatic interactions and hydrogen bonding to direct the assembly of complementary species at oil-water droplet interfaces to form microcapsules with polyelectrolyte shells, composite polyelectrolyte-nanoparticle shells, and copolymer-nanofiber shells. Additionally, we demonstrate the formation of microcapsules by adsorption of an amphiphilic bacterial hydrophobin, BslA, at oil-in-water and water-in-oil droplets, and protein capture on these capsules using engineered variants of the hydrophobin. We discuss the composition dependence of mechanical properties, shell thickness and release behavior, and regimes of stability for microcapsule fabrication. Nanoparticle based microcapsules display an intriguing plastic deformation response which enables the formation of large aspect ratio asperities by pipette aspiration of the shell.

Core excitations across the neutron shell gap in 207Tl

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, E.; Podolyák, Zs.; Grawe, H.

2015-05-05

The single closed-neutron-shell, one proton–hole nucleus 207Tl was populated in deep-inelastic collisions of a 208Pb beam with a 208Pb target. The yrast and near-yrast level scheme has been established up to high excitation energy, comprising an octupole phonon state and a large number of core excited states. Based on shell-model calculations, all observed single core excitations were established to arise from the breaking of the N=126 neutron core. While the shell-model calculations correctly predict the ordering of these states, their energies are compressed at high spins. It is concluded that this compression is an intrinsic feature of shell-model calculations usingmore » two-body matrix elements developed for the description of two-body states, and that multiple core excitations need to be considered in order to accurately calculate the energy spacings of the predominantly three-quasiparticle states.« less

Dynamic strength of cylindrical fiber-glass shells and basalt plastic shells under multiple explosive loading

NASA Astrophysics Data System (ADS)

Syrunin, M. A.; Fedorenko, A. G.

2006-08-01

We have shown experimentally that, for cylindrical shells made of oriented fiberglass platic and basalt plastic there exists a critical level of deformations, at which a structure sustains a given number of explosions from the inside. The magnitude of critical deformation for cylindrical fiberglass shells depends linearly on the logarithm of the number of loads that cause failure. For a given type of fiberglass, there is a limiting level of explosive action, at which the number of loads that do not lead to failure can be sufficiently large (more than ˜ 102). This level is attained under loads, which are an order of magnitude lower than the limiting loads under a single explosive action. Basalt plastic shells can be repeatedly used even at the loads, which cause deformation by ˜ 30-50% lower than the safe value ˜ 3.3.5% at single loading.

Toward highly sensitive surface-enhanced Raman scattering: the design of a 3D hybrid system with monolayer graphene sandwiched between silver nanohole arrays and gold nanoparticles.

PubMed

Zhao, Yuan; Yang, Dong; Li, Xiyu; Liu, Yu; Hu, Xiang; Zhou, Dianfa; Lu, Yalin

2017-01-19

We report a novel graphene-metal hybrid system by introducing monolayer graphene between gold nanoparticles (Au NPs) and silver nanohole (Ag NH) arrays. The design incorporates three key advantages to promote the surface-enhanced Raman scattering (SERS) sensing capacity: (i) making full use of the single-atomic feature of graphene for generating uniform sub-nanometer spaces; (ii) maintaining the bottom layer of Ag nanoarrays with an ordered manner for facilitating the transfer of graphene films and assembly of the top layer of Au NPs; (iii) integrating the advantages of the strong plasmonic effect of Ag, the chemical stability of Au, as well as the mechanical flexibility and biological compatibility of graphene. In this configuration, the plasmonic properties can be fine-tuned by separately optimizing the horizontal or vertical gaps between the metal NPs. Exactly, sub-20 nm spaces between the horizontally patterned Ag tips constructed by adjacent Ag NHs, and sub-nanometer scale graphene gaps between the vertically distributed Au NP-Ag NH have been achieved. Finite element numerical simulations demonstrate that the multi-dimensional plasmonic couplings (including the Au NP-Au NP, Au NP-Ag NH and Ag NH-Ag NH couplings) promote for the hybrid platform an electric field enhancement up to 137 times. Impressively, the as-prepared 3D Au NP-graphene-Ag NH array hybrid structure manifests ultrahigh SERS sensitivity with a detection limit of 10 -13 M for R6G molecules, as well as good reproducibility and stability. This work represents a step towards high-performance SERS substrate fabrication, and opens up a new route for graphene-plasmonic hybrids in SERS applications.

Assessing the concept of structure sensitivity or insensitivity for sub-nanometer catalyst materials

NASA Astrophysics Data System (ADS)

Crampton, Andrew S.; Rötzer, Marian D.; Ridge, Claron J.; Yoon, Bokwon; Schweinberger, Florian F.; Landman, Uzi; Heiz, Ueli

2016-10-01

The nature of the nano-catalyzed hydrogenation of ethylene, yielding benchmark information pertaining to the concept of structure sensitivity/insensitivity and its applicability at the bottom of the catalyst particle size-range, is explored with experiments on size-selected Ptn (n = 7-40) clusters soft-landed on MgO, in conjunction with first-principles simulations. As in the case of larger particles both the direct ethylene hydrogenation channel and the parallel hydrogenation-dehydrogenation ethylidyne-producing route must be considered, with the fundamental uncovering that at the < 1 nm size-scale the reaction exhibits characteristics consistent with structure sensitivity, in contrast to the structure insensitivity found for larger particles. In this size-regime, the chemical properties can be modulated and tuned by a single atom, reflected by the onset of low temperature hydrogenation at T > 150 K catalyzed by Ptn (n ≥ 10) clusters, with maximum room temperature reactivity observed for Pt13 using a pulsed molecular beam technique. Structure insensitive behavior, inherent for specific cluster sizes at ambient temperatures, can be induced in the more active sizes, e.g. Pt13, by a temperature increase, up to 400 K, which opens dehydrogenation channels leading to ethylidyne formation. This reaction channel was, however found to be attenuated on Pt20, as catalyst activity remained elevated after the 400 K step. Pt30 displayed behavior which can be understood from extrapolating bulk properties to this size range; in particular the calculated d-band center. In the non-scalable sub-nanometer size regime, however, precise control of particle size may be used for atom-by-atom tuning and manipulation of catalyzed hydrogenation activity and selectivity.

Subnanometer Ga2O3 tunnelling layer by atomic layer deposition to achieve 1.1 V open-circuit potential in dye-sensitized solar cells.

PubMed

Chandiran, Aravind Kumar; Tetreault, Nicolas; Humphry-Baker, Robin; Kessler, Florian; Baranoff, Etienne; Yi, Chenyi; Nazeeruddin, Mohammad Khaja; Grätzel, Michael

2012-08-08

Herein, we present the first use of a gallium oxide tunnelling layer to significantly reduce electron recombination in dye-sensitized solar cells (DSC). The subnanometer coating is achieved using atomic layer deposition (ALD) and leading to a new DSC record open-circuit potential of 1.1 V with state-of-the-art organic D-π-A sensitizer and cobalt redox mediator. After ALD of only a few angstroms of Ga(2)O(3), the electron back reaction is reduced by more than an order of magnitude, while charge collection efficiency and fill factor are increased by 30% and 15%, respectively. The photogenerated exciton separation processes of electron injection into the TiO(2) conduction band and the hole injection into the electrolyte are characterized in detail.

Reaction of positronium with doped ions in silica-based glasses in the size determination of subnanometer structural open spaces

NASA Astrophysics Data System (ADS)

Inoue, K.; Kataoka, H.; Nagai, Y.; Hasegawa, M.; Kobayashi, Y.

2013-10-01

Positron annihilation spectroscopy is employed to estimate the size of subnanometer-scale open spaces in insulating materials. In most cases, the size is estimated from the lifetime of long-lived ortho-positronium (o-Ps) by pickoff annihilation using a simplified model. However, reactions of Ps with surrounding electrons other than the pickoff reaction, such as spin conversion or chemical reaction, could give a substantially underestimated size using the simplified model. In the present paper, we report that the size of the open spaces can be evaluated correctly by the angular correlation of positron annihilation radiation (ACAR) with a magnetic field using the spin-polarization effect on Ps formation, even if such reactions of Ps occur in the material. This method is applied to the subnanometer-scale structural open spaces of silica-based glass doped with Fe. We demonstrate the influence of the Ps reaction on size-estimation of the open spaces from the o-Ps lifetime. Furthermore, the type of reaction, whether spin conversion or chemical, is distinguished from the magnetic field dependence of the Ps self-annihilation component intensity in the ACAR spectra. The Ps reaction in silica-based glass doped with Fe is a chemical reaction (most likely oxidation) rather than spin conversion, with Fe ions. The chemical quenching rate with Fe ions is determined from the dependence of the o-Ps lifetime on the Fe content.

Thermal effectiveness of multiple shell and tube pass TEMA E heat exchangers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pignotti, A.; Tamborenea, P.I.

1988-02-01

The thermal effectiveness of a TEMAE shell-and-tube heat exchanger, with one shell pass and an arbitrary number of tube passes, is determined under the usual simplifying assumptions of perfect transverse mixing of the shell fluid, no phase change, and temperature independence of the heat capacity rates and the heat transfer coefficient. A purely algebraic solution is obtained for the effectiveness as a functions of the heat capacity rate ratio and the number of heat transfer units. The case with M shell passes and N tube passes is easily expressed in terms of the single-shell-pass case.

Hollow Polycaprolactone Microspheres with/without a Single Surface Hole by Co-Electrospraying

PubMed Central

2017-01-01

We describe the co-electrospraying of hollow microspheres from a polycaprolactone (PCL) shell solution and various core solutions including water, cyclohexane, poly(ethylene oxide) (PEO), and polyethylene glycol (PEG), using different collectors. The morphologies of the resultant microspheres were characterized by scanning electron microscopy (SEM), confocal microscopy, and nano-X-ray computed tomography (nano-XCT). The core/shell solution miscibility played an important role in the co-electrospraying process and the formation of microsphere structures. Spherical particles were more likely to be produced from miscible combinations of core/shell solutions than from immiscible ones. Hollow PCL microspheres with a single hole in their surfaces were produced when an ethanol bath was used as the collector. The mechanism by which the core/shell structure is transformed into single-hole hollow microspheres is proposed to be primarily based on the evaporation through the shell and extraction by ethanol of the core solution and is described in detail. Additionally, we present a 3D macroscopic tubular structure composed of hollow PCL microspheres, directly assembled on a copper wire collector during co-electrospraying. SEM and nano-XCT confirm that microspheres in the 3D bulk structure remain hollow. PMID:28901145

Converting Multi-Shell and Diffusion Spectrum Imaging to High Angular Resolution Diffusion Imaging

PubMed Central

Yeh, Fang-Cheng; Verstynen, Timothy D.

2016-01-01

Multi-shell and diffusion spectrum imaging (DSI) are becoming increasingly popular methods of acquiring diffusion MRI data in a research context. However, single-shell acquisitions, such as diffusion tensor imaging (DTI) and high angular resolution diffusion imaging (HARDI), still remain the most common acquisition schemes in practice. Here we tested whether multi-shell and DSI data have conversion flexibility to be interpolated into corresponding HARDI data. We acquired multi-shell and DSI data on both a phantom and in vivo human tissue and converted them to HARDI. The correlation and difference between their diffusion signals, anisotropy values, diffusivity measurements, fiber orientations, connectivity matrices, and network measures were examined. Our analysis result showed that the diffusion signals, anisotropy, diffusivity, and connectivity matrix of the HARDI converted from multi-shell and DSI were highly correlated with those of the HARDI acquired on the MR scanner, with correlation coefficients around 0.8~0.9. The average angular error between converted and original HARDI was 20.7° at voxels with signal-to-noise ratios greater than 5. The network topology measures had less than 2% difference, whereas the average nodal measures had a percentage difference around 4~7%. In general, multi-shell and DSI acquisitions can be converted to their corresponding single-shell HARDI with high fidelity. This supports multi-shell and DSI acquisitions over HARDI acquisition as the scheme of choice for diffusion acquisitions. PMID:27683539

Self-monitored photothermal nanoparticles based on core-shell engineering

NASA Astrophysics Data System (ADS)

Ximendes, Erving C.; Rocha, Uéslen; Jacinto, Carlos; Kumar, Kagola Upendra; Bravo, David; López, Fernando J.; Rodríguez, Emma Martín; García-Solé, José; Jaque, Daniel

2016-01-01

The continuous development of nanotechnology has resulted in the actual possibility of the design and synthesis of nanostructured materials with pre-tailored functionabilities. Nanostructures capable of simultaneous heating and local thermal sensing are in strong demand as they would constitute a revolutionary solution to several challenging problems in bio-medicine, including the achievement of real time control during photothermal therapies. Several approaches have been demonstrated to achieve simultaneous heating and thermal sensing at the nanoscale. Some of them lack of sufficient thermal sensitivity and others require complicated synthesis procedures for heterostructure fabrication. In this study, we demonstrate how single core/shell dielectric nanoparticles with a highly Nd3+ ion doped shell and an Yb3+,Er3+ codoped core are capable of simultaneous thermal sensing and heating under an 808 nm single beam excitation. The spatial separation between the heating shell and sensing core provides remarkable values of the heating efficiency and thermal sensitivity, enabling their application in single beam-controlled heating experiments in both aqueous and tissue environments.

Vibrations and structureborne noise in space station

NASA Technical Reports Server (NTRS)

Vaicaitis, R.; Lyrintzis, C. S.; Bofilios, D. A.

1987-01-01

Analytical models were developed to predict vibrations and structureborne noise generation of cylindrical and rectangular acoustic enclosures. These models are then used to determine structural vibration levels and interior noise to random point input forces. The guidelines developed could provide preliminary information on acoustical and vibrational environments in space station habitability modules under orbital operations. The structural models include single wall monocoque shell, double wall shell, stiffened orthotropic shell, descretely stiffened flat panels, and a coupled system composed of a cantilever beam structure and a stiffened sidewall. Aluminum and fiber reinforced composite materials are considered for single and double wall shells. The end caps of the cylindrical enclosures are modeled either as single or double wall circular plates. Sound generation in the interior space is calculated by coupling the structural vibrations to the acoustic field in the enclosure. Modal methods and transfer matrix techniques are used to obtain structural vibrations. Parametric studies are performed to determine the sensitivity of interior noise environment to changes in input, geometric and structural conditions.

Influence of a finite number of baffles on shell-and-tube heat exchanger performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shah, R.K.; Pignotti, A.

1997-01-01

In single-phase shell-and-tube heat exchangers, thermal performance prediction is customarily accomplished with an idealization that the number of baffles used is very large and can be assumed to approach infinity. Under this idealization, the temperature change within each baffle compartment is very small in comparison with the total temperature change of the shell fluid through the heat exchanger. Thus the shell fluid can be considered as uniform (perfectly mixed) at every cross section (in a direction normal to the shell axis). It is with this model that the mean temperature difference correction factor is normally derived for single-phase exchangers. Inmore » reality, a finite number of baffles are used, and the condition stated above can be achieved only partially. In this article, a comprehensive review is made and new results are derived where needed to assess the influence of a finite number of baffles on heat transfer performance for 1-1, 1-2, and 1-N TEMA E, 1-2 TEMA J, and 1-2 TEMA G and H single-phase shell-and-tube exchangers. It is shown that the number of baffles required to achieve the performance within about 2% of an exchanger with an infinite number of baffles varies with the type of exchanger and the performance parameters. The new results are presented in tabular form.« less

Shape evolution of new-phased lepidocrocite VOOH from single-shelled to double-shelled hollow nanospheres on the basis of programmed reaction-temperature strategy.

PubMed

Wu, Changzheng; Zhang, Xiaodong; Ning, Bo; Yang, Jinlong; Xie, Yi

2009-07-06

Solid templates have been long regarded as one of the most promising ways to achieve single-shelled hollow nanostructures; however, few effective methods for the construction of multishelled hollow objects from their solid template counterparts have been developed. We report here, for the first time, a novel and convenient route to synthesizing double-shelled hollow spheres from the solid templates via programming the reaction-temperature procedures. The programmed temperature strategy developed in this work then provides an essential and general access to multishelled hollow nanostructures based on the designed extension of single-shelled hollow objects, independent of their outside contours, such as tubes, hollow spheres, and cubes. Starting from the V(OH)(2)NH(2) solid templates, we show that the relationship between the hollowing rate and the reaction temperature obey the Van't Hoff rule and Arrhenius activation-energy equation, revealing that it is the chemical reaction rather than the diffusion process that guided the whole hollowing process, despite the fact that the coupled reaction/diffusion process is involved in the hollowing process. Using the double-shelled hollow spheres as the PCM (CaCl(2).6H(2)O) matrix grants much better thermal-storage stability than that for the nanoparticles counterpart, revealing that the designed nanostructures can give rise to significant improvements for the energy-saving performance in future "smart house" systems.

Collapse dynamics of ultrasound contrast agent microbubbles

NASA Astrophysics Data System (ADS)

King, Daniel Alan

Ultrasound contrast agents (UCAs) are micron-sized gas bubbles encapsulated with thin shells on the order of nanometers thick. The damping effects of these viscoelastic coatings are widely known to significantly alter the bubble dynamics for linear and low-amplitude behavior; however, their effects on strongly nonlinear and destruction responses are much less studied. This dissertation examines the behaviors of single collapsing shelled microbubbles using experimental and theoretical methods. The study of their dynamics is particularly relevant for emerging experimental uses of UCAs which seek to leverage localized mechanical forces to create or avoid specialized biomedical effects. The central component in this work is the study of postexcitation rebound and collapse, observed acoustically to identify shell rupture and transient inertial cavitation of single UCA microbubbles. This time-domain analysis of the acoustic response provides a unique method for characterization of UCA destruction dynamics. The research contains a systematic documentation of single bubble postexcitation collapse through experimental measurement with the double passive cavitation detection (PCD) system at frequencies ranging from 0.9 to 7.1 MHz and peak rarefactional pressure amplitudes (PRPA) ranging from 230 kPa to 6.37 MPa. The double PCD setup is shown to improve the quality of collected data over previous setups by allowing symmetric responses from a localized confocal region to be identified. Postexcitation signal percentages are shown to generally follow trends consistent with other similar cavitation metrics such as inertial cavitation, with greater destruction observed at both increased PRPA and lower frequency over the tested ranges. Two different types of commercially available UCAs are characterized and found to have very different collapse thresholds; lipid-shelled Definity exhibits greater postexcitation at lower PRPAs than albumin-shelled Optison. Furthermore, by altering the size distributions of these UCAs, it is shown that the shell material has a large influence on the occurrence of postexcitation rebound at all tested frequencies while moderate alteration of the size distribution may only play a significant role within certain frequency ranges. Finally, the conditions which generate the experimental postexcitation signal are examined theoretically using several forms of single bubble models. Evidence is provided for the usefulness of modeling this large amplitude UCA behavior with a size-varying surface tension as described in the Marmottant model; better agreement for lipid-shelled Definity UCAs is obtained by considering the dynamic response with a rupturing shell rather than either a non-rupturing or nonexistent shell. Moreover, the modeling indicates that maximum radial expansion from the initial UCA size is a suitable metric to predict postexcitation collapse, and that both shell rupture and inertial cavitation are necessary conditions to generate this behavior. Postexcitation analysis is found to be a beneficial characterization metric for studying the destruction behaviors of single UCAs when measured with the double PCD setup. This work provides quantitative documentation of UCA collapse, exploration into UCA material properties which affect this collapse, and comparison of existing single bubble models with experimentally measured postexcitation signals.

Determination of the dominant catalyst derived from the classic [RhCp*Cl₂]₂ precatalyst system: Is it single-metal Rh₁Cp*-based, subnanometer Rh₄ cluster-based, or Rh(0) n nanoparticle-based cyclohexene hydrogenation catalysis at room temperature and mild pressures?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bayram, Ercan; Linehan, John C.; Fulton, John L.

Determining the kinetically dominant catalyst in a given catalytic system is a forefront topic in catalysis. The [RhCp*Cl₂]₂ (Cp* =[η⁵-C₅(CH₃)₅]) system pioneered by Maitlis and co-workers is a classic precatalyst system from which homogeneous mononuclear Rh₁, subnanometer Rh₄ cluster, and heterogeneous polymetallic Rh(0) n nanoparticle have all arisen as viable candidates for the true hydrogenation catalyst, depending on the precise substrate, H₂ pressure, temperature, and catalyst concentration conditions. Addressed herein is the question of whether the prior assignment of homogeneous, mononuclear Rh₁Cp*-based catalysis is correct, or are trace Rh₄ subnanometer clusters or possibly Rh(0) n nanoparticles the dominant, actualmore » cyclohexene hydrogenation catalyst at 22 °C and 2.7 atm initial H₂ pressure? The observation herein of Rh₄ species by in operando-X-ray absorption fine structure (XAFS) spectroscopy, at the only slightly more vigorous conditions of 26 °C and 8.3 atm H₂ pressure, and the confirmation of Rh₄ clusters by ex situ mass spectroscopy raises the question of the dominant, room temperature, and mild pressure cyclohexene hydrogenation catalyst derived from the classic [RhCp*Cl₂]₂ precatalyst pioneered by Maitlis and co-workers. Ten lines of evidence are provided herein to address the nature of the true room temperature and mild pressure cyclohexene hydrogenation catalyst derived from [RhCp*Cl₂]₂. Especially significant among those experiments are quantitative catalyst poisoning experiments, in the present case using 1,10-phenanthroline. Those poisoning studies allow one to distinguish mononuclear Rh₁, subnanometer Rh₄ cluster, and Rh(0) n nanoparticle catalysis hypotheses. The evidence obtained provides a compelling case for a mononuclear, Rh₁Cp*-based cyclohexene hydrogenation catalyst at 22 °C and 2.7 atm H₂ pressure. The resultant methodology, especially the quantitative catalyst poisoning experiments in combination with in operando spectroscopy, is expected to be more broadly applicable to the study of other systems and the “what is the true catalyst?” question. The authors would like to thank Finke Group members and Prof. Saim Ö zkar for their valuable input as this work was proceeding. This work was supported at Colorado State University by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences, vial DOE Grant SE-FG402-03ER15453. The work at PNNL was also supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geo-sciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle. XSD/PNC facilities at the Advanced Photon Source and research at these facilities are supported by the U.S. Department of Energy, Basic Energy Sciences; a Major Resources Support Grant from NSERC; the University of Washington; the Canadian Light Source; and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory was supported by the U.S. DOE under Contract No. DE-AC02- 06CH11357.« less

Linear and nonlinear magneto-optical properties of an off-center single dopant in a spherical core/shell quantum dot

NASA Astrophysics Data System (ADS)

Feddi, E.; Talbi, A.; Mora-Ramos, M. E.; El Haouari, M.; Dujardin, F.; Duque, C. A.

2017-11-01

Using the effective mass approximation and a variational procedure, we have investigated the nonlinear optical absorption coefficient and the relative refractive index changes associated to a single dopant confined in core/shell quantum dots considering the influences of the core/shell dimensions, externally applied magnetic field, and dielectric mismatch. The results show that the optical absorption coefficient and the coefficients of relative refractive index change depend strongly on the core/shell sizes and they are blue shifted when the spatial confinement increases so this effect is magnified by higher structural dimensions. Additionally, it is obtained that both studied optical properties are sensitive to the dielectric environment in such a way that their amplitudes are very affected by the local field corrections.

LaF3 core/shell nanoparticles for subcutaneous heating and thermal sensing in the second biological-window

NASA Astrophysics Data System (ADS)

Ximendes, Erving Clayton; Rocha, Uéslen; Kumar, Kagola Upendra; Jacinto, Carlos; Jaque, Daniel

2016-06-01

We report on Ytterbium and Neodymium codoped LaF3 core/shell nanoparticles capable of simultaneous heating and thermal sensing under single beam infrared laser excitation. Efficient light-to-heat conversion is produced at the Neodymium highly doped shell due to non-radiative de-excitations. Thermal sensing is provided by the temperature dependent Nd3+ → Yb3+ energy transfer processes taking place at the core/shell interface. The potential application of these core/shell multifunctional nanoparticles for controlled photothermal subcutaneous treatments is also demonstrated.

Single resonance monolithic Fabry-Perot filters formed by volume Bragg gratings and multilayer dielectric mirrors

NASA Astrophysics Data System (ADS)

Lumeau, Julien; Koc, Cihan; Mokhun, Oleksiy; Smirnov, Vadim; Lequime, Michel; Glebov, Leonid B.

2012-02-01

High efficiency reflecting volume Bragg gratings (VBGs) recorded in PTR glass plates have shown un-preceded performances that make them very good candidates for narrowband spectral filtering with sub-nanometer spectral widths. However, decreasing the bandwidth to value below 30-50 pm is very challenging as it requires increasing the thickness of the RBG to more than 15-20 mm. To overcome this limitation, we propose a new approach which is a monolithic Fabry-Perot cavity which consists from a reflecting VBG with a multilayer dielectric mirror (MDM) deposited on its surface. A VBG with a grating vector perpendicular to its surface and a MDM produce a Fabry-Perot resonator with a single transmission band inside of the reflection spectrum of the VBG. We present a theoretical description of this new class of filters that allow achieving a single ultra-narrowband resonance associated with several hundred nanometers rejection band. Then we show the methods for designing and fabricating such filter. Finally, we present the steps that we followed in order to fabricate a first prototype for 852 nm and 1062 nm region that demonstrates a 30 pm bandwidth, 90+% transmission at resonance and a good agreement with theoretical simulation.

A coupled-cluster study of photodetachment cross sections of closed-shell anions

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-01

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H-, Li-, Na-, F-, Cl-, and OH-. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

A coupled-cluster study of photodetachment cross sections of closed-shell anions.

PubMed

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-07

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H(-), Li(-), Na(-), F(-), Cl(-), and OH(-). The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

Progress of the Enhanced Hanford Single Shell Tank (SST) Integrity Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Venetz, Theodore J.; Washenfelder, Dennis J.; Boomer, Kayle D.

2015-01-07

To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration. In late 2010, seventeen of these recommendations were used to develop the basis for the M-45-10-1 Changemore » Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement.« less

Multishelled NiO Hollow Microspheres for High-performance Supercapacitors with Ultrahigh Energy Density and Robust Cycle Life

NASA Astrophysics Data System (ADS)

Qi, Xinhong; Zheng, Wenji; Li, Xiangcun; He, Gaohong

2016-09-01

Multishelled NiO hollow microspheres for high-performance supercapacitors have been prepared and the formation mechanism has been investigated. By using resin microspheres to absorb Ni2+ and subsequent proper calcinations, the shell numbers, shell spacing and exterior shell structure were facilely controlled via varying synthetic parameters. Particularly, the exterior shell structure that accurately associated with the ion transfer is finely controlled by forming a single shell or closed exterior double-shells. Among multishelled NiO hollow microspheres, the triple-shelled NiO with an outer single-shelled microspheres show a remarkable capacity of 1280 F g-1 at 1 A g-1, and still keep a high value of 704 F g-1 even at 20 A g-1. The outstanding performances are attributed to its fast ion/electron transfer, high specific surface area and large shell space. The specific capacitance gradually increases to 108% of its initial value after 2500 cycles, demonstrating its high stability. Importantly, the 3S-NiO-HMS//RGO@Fe3O4 asymmetric supercapacitor shows an ultrahigh energy density of 51.0 Wh kg-1 at a power density of 800 W kg-1, and 78.8% capacitance retention after 10,000 cycles. Furthermore, multishelled NiO can be transferred into multishelled Ni microspheres with high-efficient H2 generation rate of 598.5 mL H2 min-1 g-1Ni for catalytic hydrolysis of NH3BH3 (AB).

A deep-sea agglutinated foraminifer tube constructed with planktonic foraminifer shells of a single species

NASA Astrophysics Data System (ADS)

Pearson, Paul N.; Expedition 363 Shipboard Scientific Party, IODP

2018-01-01

Agglutinated foraminifera are marine protists that show apparently complex behaviour in constructing their shells, involving selecting suitable sedimentary grains from their environment, manipulating them in three dimensions, and cementing them precisely into position. Here we illustrate a striking and previously undescribed example of complex organisation in fragments of a tube-like foraminifer (questionably assigned to Rhabdammina) from 1466 m water depth on the northwest Australian margin. The tube is constructed from well-cemented siliciclastic grains which form a matrix into which hundreds of planktonic foraminifer shells are regularly spaced in apparently helical bands. These shells are of a single species, Turborotalita clarkei, which has been selected to the exclusion of all other bioclasts. The majority of shells are set horizontally in the matrix with the umbilical side upward. This mode of construction, as is the case with other agglutinated tests, seems to require either an extraordinarily selective trial-and-error process at the site of cementation or an active sensory and decision-making system within the cell.

Quantum transport through single and multilayer icosahedral fullerenes

NASA Astrophysics Data System (ADS)

Lovey, Daniel A.; Romero, Rodolfo H.

2013-10-01

We use a tight-binding Hamiltonian and Green functions methods to calculate the quantum transmission through single-wall fullerenes and bilayered and trilayered onions of icosahedral symmetry attached to metallic leads. The electronic structure of the onion-like fullerenes takes into account the curvature and finite size of the fullerenes layers as well as the strength of the intershell interactions depending on to the number of interacting atom pairs belonging to adjacent shells. Misalignment of the symmetry axes of the concentric iscosahedral shells produces breaking of the level degeneracies of the individual shells, giving rise some narrow quasi-continuum bands instead of the localized discrete peaks of the individual fullerenes. As a result, the transmission function for non symmetrical onions is rapidly varying functions of the Fermi energy. Furthermore, we found that most of the features of the transmission through the onions are due to the electronic structure of the outer shell with additional Fano-like antiresonances arising from coupling with or between the inner shells.

MSTAR: an absolute metrology sensor with sub-micron accuracy for space-based applications

NASA Technical Reports Server (NTRS)

Peters, Robert D.; Lay, Oliver P.; Dubovitsky, Serge; Burger, Johan P.; Jeganathan, Muthu

2004-01-01

The MSTAR sensor is a new system for measuring absolute distance, capable of resolving the integer cycle ambiguity of standard interferometers, and making it possible to measure distance with subnanometer accuracy.

Complex biomembrane mimetics on the sub-nanometer scale

DOE PAGES

Heberle, Frederick A.; Pabst, Georg

2017-07-17

Biomimetic lipid vesicles are indispensable tools for gaining insight into the biophysics of cell physiology on the molecular level. The level of complexity of these model systems has steadily increased, and now spans from domain forming lipid mixtures to asymmetric lipid bilayers. We review recent progress in the development and application of elastic neutron and X-ray scattering techniques for studying these systems in situ and under physiologically relevant conditions on the nanometer to sub-nanometer length scales. Particularly we focus on: (i) structural details of coexisting liquid-ordered and liquid-disordered domains, including their thickness and lipid packing mismatch as a function ofmore » a size transition from nanoscopic to macroscopic domains; (ii) membrane-mediated protein partitioning into lipid domains; (iii) the role of the aqueous medium in tuning interactions between membranes and domains; and (iv) leaflet specific structure in asymmetric bilayers and passive lipid flip-flop.« less

Complex biomembrane mimetics on the sub-nanometer scale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heberle, Frederick A.; Pabst, Georg

Biomimetic lipid vesicles are indispensable tools for gaining insight into the biophysics of cell physiology on the molecular level. The level of complexity of these model systems has steadily increased, and now spans from domain forming lipid mixtures to asymmetric lipid bilayers. We review recent progress in the development and application of elastic neutron and X-ray scattering techniques for studying these systems in situ and under physiologically relevant conditions on the nanometer to sub-nanometer length scales. Particularly we focus on: (i) structural details of coexisting liquid-ordered and liquid-disordered domains, including their thickness and lipid packing mismatch as a function ofmore » a size transition from nanoscopic to macroscopic domains; (ii) membrane-mediated protein partitioning into lipid domains; (iii) the role of the aqueous medium in tuning interactions between membranes and domains; and (iv) leaflet specific structure in asymmetric bilayers and passive lipid flip-flop.« less

Differential optical shadow sensor for sub-nanometer displacement measurement and its application to drag-free satellites.

PubMed

Zoellner, Andreas; Tan, Si; Saraf, Shailendhar; Alfauwaz, Abdul; DeBra, Dan; Buchman, Sasha; Lipa, John A

2017-10-16

We present a method for 3D sub-nanometer displacement measurement using a set of differential optical shadow sensors. It is based on using pairs of collimated beams on opposite sides of an object that are partially blocked by it. Applied to a sphere, our 3-axis sensor module consists of 8 parallel beam-detector sets for redundancy. The sphere blocks half of each beam's power in the nominal centered position, and any displacement can be measured by the differential optical power changes amongst the pairs of detectors. We have experimentally demonstrated a displacement sensitivity of 0.87nm/Hz at 1 Hz and 0.39nm/Hz at 10 Hz. We describe the application of the module to the inertial sensor of a drag-free satellite, which can potentially be used for navigation, geodesy and fundamental science experiments as well as ground based applications.

High-Speed Scanning Interferometer Using CMOS Image Sensor and FPGA Based on Multifrequency Phase-Tracking Detection

NASA Technical Reports Server (NTRS)

Ohara, Tetsuo

2012-01-01

A sub-aperture stitching optical interferometer can provide a cost-effective solution for an in situ metrology tool for large optics; however, the currently available technologies are not suitable for high-speed and real-time continuous scan. NanoWave s SPPE (Scanning Probe Position Encoder) has been proven to exhibit excellent stability and sub-nanometer precision with a large dynamic range. This same technology can transform many optical interferometers into real-time subnanometer precision tools with only minor modification. The proposed field-programmable gate array (FPGA) signal processing concept, coupled with a new-generation, high-speed, mega-pixel CMOS (complementary metal-oxide semiconductor) image sensor, enables high speed (>1 m/s) and real-time continuous surface profiling that is insensitive to variation of pixel sensitivity and/or optical transmission/reflection. This is especially useful for large optics surface profiling.

Effect of Electric Field Gradient on Sub-nanometer Spatial Resolution of Tip-enhanced Raman Spectroscopy

PubMed Central

Meng, Lingyan; Yang, Zhilin; Chen, Jianing; Sun, Mengtao

2015-01-01

Tip-enhanced Raman spectroscopy (TERS) with sub-nanometer spatial resolution has been recently demonstrated experimentally. However, the physical mechanism underlying is still under discussion. Here we theoretically investigate the electric field gradient of a coupled tip-substrate system. Our calculations suggest that the ultra-high spatial resolution of TERS can be partially attributed to the electric field gradient effect owning to its tighter spatial confinement and sensitivity to the infrared (IR)-active of molecules. Particularly, in the case of TERS of flat-lying H2TBPP molecules,we find the electric field gradient enhancement is the dominating factor for the high spatial resolution, which qualitatively coincides with previous experimental report. Our theoretical study offers a new paradigm for understanding the mechanisms of the ultra-high spatial resolution demonstrated in tip-enhanced spectroscopy which is of importance but neglected. PMID:25784161

Helium Ion Microscopy (HIM) for the imaging of biological samples at sub-nanometer resolution

NASA Astrophysics Data System (ADS)

Joens, Matthew S.; Huynh, Chuong; Kasuboski, James M.; Ferranti, David; Sigal, Yury J.; Zeitvogel, Fabian; Obst, Martin; Burkhardt, Claus J.; Curran, Kevin P.; Chalasani, Sreekanth H.; Stern, Lewis A.; Goetze, Bernhard; Fitzpatrick, James A. J.

2013-12-01

Scanning Electron Microscopy (SEM) has long been the standard in imaging the sub-micrometer surface ultrastructure of both hard and soft materials. In the case of biological samples, it has provided great insights into their physical architecture. However, three of the fundamental challenges in the SEM imaging of soft materials are that of limited imaging resolution at high magnification, charging caused by the insulating properties of most biological samples and the loss of subtle surface features by heavy metal coating. These challenges have recently been overcome with the development of the Helium Ion Microscope (HIM), which boasts advances in charge reduction, minimized sample damage, high surface contrast without the need for metal coating, increased depth of field, and 5 angstrom imaging resolution. We demonstrate the advantages of HIM for imaging biological surfaces as well as compare and contrast the effects of sample preparation techniques and their consequences on sub-nanometer ultrastructure.

Helium Ion Microscopy (HIM) for the imaging of biological samples at sub-nanometer resolution.

PubMed

Joens, Matthew S; Huynh, Chuong; Kasuboski, James M; Ferranti, David; Sigal, Yury J; Zeitvogel, Fabian; Obst, Martin; Burkhardt, Claus J; Curran, Kevin P; Chalasani, Sreekanth H; Stern, Lewis A; Goetze, Bernhard; Fitzpatrick, James A J

2013-12-17

Scanning Electron Microscopy (SEM) has long been the standard in imaging the sub-micrometer surface ultrastructure of both hard and soft materials. In the case of biological samples, it has provided great insights into their physical architecture. However, three of the fundamental challenges in the SEM imaging of soft materials are that of limited imaging resolution at high magnification, charging caused by the insulating properties of most biological samples and the loss of subtle surface features by heavy metal coating. These challenges have recently been overcome with the development of the Helium Ion Microscope (HIM), which boasts advances in charge reduction, minimized sample damage, high surface contrast without the need for metal coating, increased depth of field, and 5 angstrom imaging resolution. We demonstrate the advantages of HIM for imaging biological surfaces as well as compare and contrast the effects of sample preparation techniques and their consequences on sub-nanometer ultrastructure.

Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Negreiros, Fabio R.; Halder, Avik; Yin, Chunrong

A combined experimental and theoretical investigation of Ag-Pt sub-nanometer clusters as heterogeneous catalysts in the CO -> CO2 reaction (COox) is presented. Ag9Pt2 and Ag9Pt3 clusters are size-selected in the gas phase, deposited on an ultrathin amorphous alumina support, and tested as catalysts experimentally under realistic conditions and by first-principles simulations at realistic coverage. Insitu GISAXS/TPRx demonstrates that the clusters do not sinter or deactivate even after prolonged exposure to reactants at high temperature, and present comparable, extremely high COox catalytic efficiency. Such high activity and stability are ascribed to a synergic role of Ag and Pt in ultranano-aggregates, inmore » which Pt anchors the clusters to the support and binds and activates two CO molecules, while Ag binds and activates O-2, and Ag/Pt surface proximity disfavors poisoning by CO or oxidized species.« less

Ion selectivity of graphene nanopores

DOE PAGES

Rollings, Ryan C.; Kuan, Aaron T.; Golovchenko, Jene A.

2016-04-22

As population growth continues to outpace development of water infrastructure in many countries, desalination (the removal of salts from seawater) at high energy efficiency will likely become a vital source of fresh water. Due to its atomic thinness combined with its mechanical strength, porous graphene may be particularly well-suited for electrodialysis desalination, in which ions are removed under an electric field via ion-selective pores. Here, we show that single graphene nanopores preferentially permit the passage of K + cations over Cl - anions with selectivity ratios of over 100 and conduct monovalent cations up to 5 times more rapidly thanmore » divalent cations. Furthermore, the observed K +/Cl - selectivity persists in pores even as large as about 20 nm in diameter, suggesting that high throughput, highly selective graphene electrodialysis membranes can be fabricated without the need for subnanometer control over pore size.« less

Prize for Industrial Applications of Physics Talk: Low energy spread Ion source for focused ion beam systems-Search for the holy grail

NASA Astrophysics Data System (ADS)

Ward, Bill

2011-03-01

In this talk I will cover my personal experiences as a serial entrepreneur and founder of a succession of focused ion beam companies (1). Ion Beam Technology, which developed a 200kv (FIB) direct ion implanter (2). Micrion, where the FIB found a market in circuit edit and mask repair, which eventually merged with FEI corporation. and (3). ALIS Corporation which develop the Orion system, the first commercially successful sub-nanometer helium ion microscope, that was ultimately acquired by Carl Zeiss corporation. I will share this adventure beginning with my experiences in the early days of ion beam implantation and e-beam lithography which lead up to the final breakthrough understanding of the mechanisms that govern the successful creation and operation of a single atom ion source.

Effects of cluster-shell competition and BCS-like pairing in 12C

NASA Astrophysics Data System (ADS)

Matsuno, H.; Itagaki, N.

2017-12-01

The antisymmetrized quasi-cluster model (AQCM) was proposed to describe α-cluster and jj-coupling shell models on the same footing. In this model, the cluster-shell transition is characterized by two parameters, R representing the distance between α clusters and Λ describing the breaking of α clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α-cluster model wave function. Not only the closure configurations of the major shells but also the subclosure configurations of the jj-coupling shell model can be described starting with the α-cluster model wave functions; however, the particle-hole excitations of single particles have not been fully established yet. In this study we show that the framework of AQCM can be extended even to the states with the character of single-particle excitations. For ^{12}C, two-particle-two-hole (2p2h) excitations from the subclosure configuration of 0p_{3/2} corresponding to a BCS-like pairing are described, and these shell model states are coupled with the three α-cluster model wave functions. The correlation energy from the optimal configuration can be estimated not only in the cluster part but also in the shell model part. We try to pave the way to establish a generalized description of the nuclear structure.

High performance of SDC and GDC core shell type composite electrolytes using methane as a fuel for low temperature SOFC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Irshad, Muneeb; Siraj, Khurram, E-mail: razahussaini786@gmail.com, E-mail: khurram.uet@gmail.com; Javed, Fayyaz

Nanocomposites Samarium doped Ceria (SDC), Gadolinium doped Ceria (GDC), core shell SDC amorphous Na{sub 2}CO{sub 3} (SDCC) and GDC amorphous Na{sub 2}CO{sub 3} (GDCC) were synthesized using co-precipitation method and then compared to obtain better solid oxide electrolytes materials for low temperature Solid Oxide Fuel Cell (SOFCs). The comparison is done in terms of structure, crystallanity, thermal stability, conductivity and cell performance. In present work, XRD analysis confirmed proper doping of Sm and Gd in both single phase (SDC, GDC) and dual phase core shell (SDCC, GDCC) electrolyte materials. EDX analysis validated the presence of Sm and Gd in bothmore » single and dual phase electrolyte materials; also confirming the presence of amorphous Na{sub 2}CO{sub 3} in SDCC and GDCC. From TGA analysis a steep weight loss is observed in case of SDCC and GDCC when temperature rises above 725 °C while SDC and GDC do not show any loss. The ionic conductivity and cell performance of single phase SDC and GDC nanocomposite were compared with core shell GDC/amorphous Na{sub 2}CO{sub 3} and SDC/ amorphous Na{sub 2}CO{sub 3} nanocomposites using methane fuel. It is observed that dual phase core shell electrolytes materials (SDCC, GDCC) show better performance in low temperature range than their corresponding single phase electrolyte materials (SDC, GDC) with methane fuel.« less

Evaluation of Hanford Single-Shell Waste Tanks Suspected of Water Intrusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feero, Amie J.; Washenfelder, Dennis J.; Johnson, Jeremy M.

2013-11-14

Intrusions evaluations for twelve single-shell tanks were completed in 2013. The evaluations consisted of remote visual inspections, data analysis, and calculations of estimated intrusion rates. The observation of an intrusion or the preponderance of evidence confirmed that six of the twelve tanks evaluated had intrusions. These tanks were tanks 241-A-103, BX-101, BX-103, BX-110, BY-102, and SX-106.

Single-Molecule Microscopy and Force Spectroscopy of Membrane Proteins

NASA Astrophysics Data System (ADS)

Engel, Andreas; Janovjak, Harald; Fotiadis, Dimtrios; Kedrov, Alexej; Cisneros, David; Müller, Daniel J.

Single-molecule atomic force microscopy (AFM) provides novel ways to characterize the structure-function relationship of native membrane proteins. High-resolution AFM topographs allow observing the structure of single proteins at sub-nanometer resolution as well as their conformational changes, oligomeric state, molecular dynamics and assembly. We will review these feasibilities illustrating examples of membrane proteins in native and reconstituted membranes. Classification of individual topographs of single proteins allows understanding the principles of motions of their extrinsic domains, to learn about their local structural flexibilities and to find the entropy minima of certain conformations. Combined with the visualization of functionally related conformational changes these insights allow understanding why certain flexibilities are required for the protein to function and how structurally flexible regions allow certain conformational changes. Complementary to AFM imaging, single-molecule force spectroscopy (SMFS) experiments detect molecular interactions established within and between membrane proteins. The sensitivity of this method makes it possible to measure interactions that stabilize secondary structures such as transmembrane α-helices, polypeptide loops and segments within. Changes in temperature or protein-protein assembly do not change the locations of stable structural segments, but influence their stability established by collective molecular interactions. Such changes alter the probability of proteins to choose a certain unfolding pathway. Recent examples have elucidated unfolding and refolding pathways of membrane proteins as well as their energy landscapes.

Origin and diversity of testate amoebae shell composition: Example of Bullinularia indica living in Sphagnum capillifolium.

PubMed

Delaine, Maxence; Bernard, Nadine; Gilbert, Daniel; Recourt, Philippe; Armynot du Châtelet, Eric

2017-06-01

Testate amoebae are free-living shelled protists that build a wide range of shells with various sizes, shapes, and compositions. Recent studies showed that xenosomic testate amoebae shells could be indicators of atmospheric particulate matter (PM) deposition. However, no study has yet been conducted to assess the intra-specific mineral, organic, and biologic grain diversity of a single xenosomic species in a natural undisturbed environment. This study aims at providing new information about grain selection to develop the potential use of xenosomic testate amoebae shells as bioindicators of the multiple-origin mineral/organic diversity of their proximal environment. To fulfil these objectives, we analysed the shell content of 38 Bullinularia indica individuals, a single xenosomic testate amoeba species living in Sphagnum capillifolium, by scanning electron microscope (SEM) coupled with X-ray spectroscopy. The shells exhibited high diversities of mineral, organic, and biomineral grains, which confirms their capability to recycle xenosomes. Mineral grain diversity and size of B. indica matched those of the atmospheric natural mineral PM deposited in the peatbog. Calculation of grain size sorting revealed a discrete selection of grains agglutinated by B. indica. These results are a first step towards understanding the mechanisms of particle selection by xenosomic testate amoebae in natural conditions. Copyright © 2017 Elsevier GmbH. All rights reserved.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.

PubMed

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

2017-04-28

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N 6 ) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

NASA Astrophysics Data System (ADS)

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank

2017-04-01

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N6) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

Double-label immunofluorescence method for simultaneous detection of adenovirus and herpes simplex virus from the eye.

PubMed

Walpita, P; Darougar, S

1989-07-01

The development and application of a double-label immunofluorescence method which has the potential to screen for single or dual infections from any site, in single shell vial cultures, is described. In this study, a total of 1,141 ocular specimens were inoculated in shell vials, centrifuged at 15,000 X g for 1 h, incubated at 37 degrees C for 48 h, and fixed in methanol at room temperature for 15 min. The virus inclusions were detected by staining with a double-label indirect immunofluorescence procedure using mixtures of appropriate first antibodies, followed by fluorescein- and rhodamine-conjugated second antibodies. Each specimen was also inoculated in parallel by the conventional virus isolation method. The sensitivity and specificity of the double-label shell vial procedure were comparable to those with the conventional method, and the former test took only 48 h to complete. The test offers a rapid and simple single-vial procedure which allows for individual or simultaneous detection of multiple pathogens. It results in savings in time and cost over the conventional virus isolation method and other shell vial procedures.

The fractal dimension of cell membrane correlates with its capacitance: A new fractal single-shell model

PubMed Central

Wang, Xujing; Becker, Frederick F.; Gascoyne, Peter R. C.

2010-01-01

The scale-invariant property of the cytoplasmic membrane of biological cells is examined by applying the Minkowski–Bouligand method to digitized scanning electron microscopy images of the cell surface. The membrane is found to exhibit fractal behavior, and the derived fractal dimension gives a good description of its morphological complexity. Furthermore, we found that this fractal dimension correlates well with the specific membrane dielectric capacitance derived from the electrorotation measurements. Based on these findings, we propose a new fractal single-shell model to describe the dielectrics of mammalian cells, and compare it with the conventional single-shell model (SSM). We found that while both models fit with experimental data well, the new model is able to eliminate the discrepancy between the measured dielectric property of cells and that predicted by the SSM. PMID:21198103

Neutrons measure phase behavior in pores at Angstrom size

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bardoel, Agatha A; Melnichenko, Yuri B

Researchers have measured the phase behavior of green house gases in pores at the Angstrom-level, using small angle neutron scattering (SANS) at the Oak Ridge National Laboratory's High Flux Isotope Reactor. Yuri Melnichenko, an instrument scientist on the General Purpose Small Angle Neutron Scattering (GP SANS) Diffractometer at ORNL's High Flux Isotope Reactor, his postdoctoral associate Lilin He and collaborators Nidia Gallego and Cristian Contescu from the Material Sciences Division (ORNL) were engaged in the work. They were studying nanoporous carbons to assess their attractiveness as storage media for hydrogen, with a view to potential use for on-board hydrogen storagemore » for transportation applications. Nanoporous carbons can also serve as electrode material for supercapacitors and batteries. The researchers successfully determined that the most efficiently condensing pore size in a carbon nanoporous material for hydrogen storage is less than one nanometer. In a paper recently published by the Journal of the American Chemical Society, the collaborators used small angle neutron scattering to study how hydrogen condenses in small pores at ambient temperature. They discovered that the surface-molecule interactions create internal pressures in pores that may exceed the external gas pressure by a factor of up to 50. 'This is an exciting result,' Melnichenko said, 'as you achieve extreme densification in pores 'for free', i.e. without spending any energy. These results can be used to guide the development of new carbon adsorbents tailored to maximize hydrogen storage capacities.' Another important factor that defines the adsorption capacity of sub-nanometer pores is their shape. In order to get accurate structural information and maximize sorption capacity, it is important that pores are small and of approximately uniform size. In collaboration with Drexel University's Yury Gogotsi who supplied the samples, Melnichenko and his collaborators used the GP SANS instrument to study how the size and shape of pores in sub-nanometer porous carbons varies, depending on the manufacturing conditions. While small angle X-ray scattering (SAXS) can do the job too, Melnichenko says, the SANS method broke new ground in analyzing the shape and behavior of pores at subnanometer size, when subjected to varying synthesis temperature. 'We found that these very small pores are in fact spherical, and that when we change the synthesis conditions, they become elongated, even 'slit-like', and all of this on a subnanometer scale,' Melnichenko said.« less

Role of N-methyl-2-pyrrolidone for preparation of Fe3O4@SiO2 controlled the shell thickness

NASA Astrophysics Data System (ADS)

Wee, Sung-Bok; Oh, Hyeon-Cheol; Kim, Tae-Gyun; An, Gye-Seok; Choi, Sung-Churl

2017-04-01

We developed a simple and novel approach for the synthesis of Fe3O4@SiO2 nanoparticles with controlled shell thickness, and studied the mechanism. The introduction of N-methyl-2-pyrrolidone (NMP) led to trapping of monomer nuclei in single shell and controlled the shell thickness. Fe3O4@SiO2 controlled the shell thickness, showing a high magnetization value (64.47 emu/g). Our results reveal the role and change in the chemical structure of NMP during the core-shell synthesis process. NMP decomposed to 4-aminobutanoic acid in alkaline condition and decreased the hydrolysis rate of the silica coating process.

Engineering report single-shell tank farms interim measures to limit infiltration through the vadose zone

DOE Office of Scientific and Technical Information (OSTI.GOV)

HAASS, C.C.

1999-10-14

Identifies, evaluates and recommends interim measures for reducing or eliminating water sources and preferential pathways within the vadose zone of the single-shell tank farms. Features studied: surface water infiltration and leaking water lines that provide recharge moisture, and wells that could provide pathways for contaminant migration. An extensive data base, maps, recommended mitigations, and rough order of magnitude costs are included.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior formore » strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.« less

Multishelled NiO Hollow Microspheres for High-performance Supercapacitors with Ultrahigh Energy Density and Robust Cycle Life

PubMed Central

Qi, Xinhong; Zheng, Wenji; Li, Xiangcun; He, Gaohong

2016-01-01

Multishelled NiO hollow microspheres for high-performance supercapacitors have been prepared and the formation mechanism has been investigated. By using resin microspheres to absorb Ni2+ and subsequent proper calcinations, the shell numbers, shell spacing and exterior shell structure were facilely controlled via varying synthetic parameters. Particularly, the exterior shell structure that accurately associated with the ion transfer is finely controlled by forming a single shell or closed exterior double-shells. Among multishelled NiO hollow microspheres, the triple-shelled NiO with an outer single-shelled microspheres show a remarkable capacity of 1280 F g−1 at 1 A g−1, and still keep a high value of 704 F g−1 even at 20 A g−1. The outstanding performances are attributed to its fast ion/electron transfer, high specific surface area and large shell space. The specific capacitance gradually increases to 108% of its initial value after 2500 cycles, demonstrating its high stability. Importantly, the 3S-NiO-HMS//RGO@Fe3O4 asymmetric supercapacitor shows an ultrahigh energy density of 51.0 Wh kg−1 at a power density of 800 W kg−1, and 78.8% capacitance retention after 10,000 cycles. Furthermore, multishelled NiO can be transferred into multishelled Ni microspheres with high-efficient H2 generation rate of 598.5 mL H2 min−1 g−1Ni for catalytic hydrolysis of NH3BH3 (AB). PMID:27616420

Three-Point Bending Fracture Behavior of Single Oriented Crossed-Lamellar Structure in Scapharca broughtonii Shell

PubMed Central

Ji, Hong-Mei; Zhang, Wen-Qian; Wang, Xu; Li, Xiao-Wu

2015-01-01

The three-point bending strength and fracture behavior of single oriented crossed-lamellar structure in Scapharca broughtonii shell were investigated. The samples for bending tests were prepared with two different orientations perpendicular and parallel to the radial ribs of the shell, which corresponds to the tiled and stacked directions of the first-order lamellae, respectively. The bending strength in the tiled direction is approximately 60% higher than that in the stacked direction, primarily because the regularly staggered arrangement of the second-order lamellae in the tiled direction can effectively hinder the crack propagation, whereas the cracks can easily propagate along the interfaces between lamellae in the stacked direction. PMID:28793557

Enceladus's south polar thermal anomaly in light of weak thermal convection

NASA Astrophysics Data System (ADS)

Besserer, Jonathan; Golabek, Gregor J.; Rozel, Antoine; Tackley, Paul J.

2014-05-01

The south polar thermal anomaly of Enceladus, contrasting with older and colder northern regions, suggests an asymmetrical heat transfer in the satellite's ice shell. Most of the current models that explain such a distribution prescribe an a priori asymmetry by mean of a mechanical or topographical anomaly in or below the south polar ice shell. We present here a series of simulations with a 2D-spherical convection model to investigate the possibility of self-consistently generating a localized mechanical anomaly in the ice shell. We focus on the non-Newtonian character of ice rheology, and on the stability of a single-plume (i.e. localized convection) and low-degree convection regimes. We show that the non-Newtonian rheology favors a localized (tidally heated) convection surrounded by a conductive ice mantle, even with a global, liquid water ocean at the base of the ice shell. We find that the single-plume state is very unlikely to remain stable if the rheology is Newtonian. The proposed thermal regime for Enceladus's ice shell is therefore weak, single-plume thermal convection focused at the south pole (e.g., remnant of a formerly more vigorous convection). Such weak-to-sub-critical regimes may be important for icy satellites, as recently pointed out by Solomatov (2012, PEPI). We will discuss the effects of ice plasticity on heat focusing in Enceladus's South Polar Terrain, together with the possibility of an ice shell a factor ~2 thinner than previously thought (Hemingway et al., AGU 2013; Stevenson et al., AGU 2013).

Structural instability of shell-like assemblies of a keplerate-type polyoxometalate induced by ionic strength.

PubMed

Veen, Sandra J; Kegel, Willem K

2009-11-19

We demonstrate a new structural instability of shell-like assemblies of polyoxometalates. Besides the colloidal instability, that is, the formation of aggregates that consist of many single layered POM-shells, these systems also display an instability on a structural scale within the shell-like assemblies. This instability occurs at significantly lower ionic strength than the colloidal stability limit and only becomes evident after a relatively long time. For the polyoxometalate, abbreviated as {Mo(72)Fe(30)}, it is shown that the structural stability limit of POM-shells lies between a NaCl concentration of 1.00 and 5.00 mM in aqueous solution.

Fast-Response Single-Nanowire Photodetector Based on ZnO/WS2 Core/Shell Heterostructures.

PubMed

Butanovs, Edgars; Vlassov, Sergei; Kuzmin, Alexei; Piskunov, Sergei; Butikova, Jelena; Polyakov, Boris

2018-04-25

The surface plays an exceptionally important role in nanoscale materials, exerting a strong influence on their properties. Consequently, even a very thin coating can greatly improve the optoelectronic properties of nanostructures by modifying the light absorption and spatial distribution of charge carriers. To use these advantages, 1D/1D heterostructures of ZnO/WS 2 core/shell nanowires with a-few-layers-thick WS 2 shell were fabricated. These heterostructures were thoroughly characterized by scanning and transmission electron microscopy, X-ray diffraction, and Raman spectroscopy. Then, a single-nanowire photoresistive device was assembled by mechanically positioning ZnO/WS 2 core/shell nanowires onto gold electrodes inside a scanning electron microscope. The results show that a few layers of WS 2 significantly enhance the photosensitivity in the short wavelength range and drastically (almost 2 orders of magnitude) improve the photoresponse time of pure ZnO nanowires. The fast response time of ZnO/WS 2 core/shell nanowire was explained by electrons and holes sinking from ZnO nanowire into WS 2 shell, which serves as a charge carrier channel in the ZnO/WS 2 heterostructure. First-principles calculations suggest that the interface layer i-WS 2 , bridging ZnO nanowire surface and WS 2 shell, might play a role of energy barrier, preventing the backward diffusion of charge carriers into ZnO nanowire.

The Dynamic Response and Vibration of Functionally Graded Carbon Nanotube-Reinforced Composite (FG-CNTRC) Truncated Conical Shells Resting on Elastic Foundations

PubMed Central

Nguyen Dinh, Duc; Nguyen, Pham Dinh

2017-01-01

Based on the classical shell theory, the linear dynamic response of functionally graded carbon nanotube-reinforced composite (FG-CNTRC) truncated conical shells resting on elastic foundations subjected to dynamic loads is presented. The truncated conical shells are reinforced by single-walled carbon nanotubes (SWCNTs) that vary according to the linear functions of the shell thickness. The motion equations are solved by the Galerkin method and the fourth-order Runge–Kutta method. In numerical results, the influences of geometrical parameters, elastic foundations, natural frequency parameters, and nanotube volume fraction of FG-CNTRC truncated conical shells are investigated. The proposed results are validated by comparing them with those of other authors. PMID:29057821

Linguine sign at MR imaging: does it represent the collapsed silicone implant shell?

PubMed

Gorczyca, D P; DeBruhl, N D; Mund, D F; Bassett, L W

1994-05-01

One intact and one ruptured single-lumen implant were surgically placed in a rabbit. Magnetic resonance (MR) imaging was performed before and after surgical removal, and the ruptured implant was imaged after removal of the implant shell. Multiple curvilinear hypointense lines (linguine sign) were present in the MR images of the ruptured implant and of the implant shell alone immersed in saline solution but not in the image of the free silicone. The collapsed implant shell in a ruptured silicone implant does cause the linguine sign.

Application of atomic force microscopy to microbial surfaces: from reconstituted cell surface layers to living cells.

PubMed

Dufrêne, Y F

2001-02-01

The application of atomic force microscopy (AFM) to probe the ultrastructure and physical properties of microbial cell surfaces is reviewed. The unique capabilities of AFM can be summarized as follows: imaging surface topography with (sub)nanometer lateral resolution; examining biological specimens under physiological conditions; measuring local properties and interaction forces. AFM is being used increasingly for: (i) visualizing the surface ultrastructure of microbial cell surface layers, including bacterial S-layers, purple membranes, porin OmpF crystals and fungal rodlet layers; (ii) monitoring conformational changes of individual membrane proteins; (iii) examining the morphology of bacterial biofilms, (iv) revealing the nanoscale structure of living microbial cells, including fungi, yeasts and bacteria, (v) mapping interaction forces at microbial surfaces, such as van der Waals and electrostatic forces, solvation forces, and steric/bridging forces; and (vi) probing the local mechanical properties of cell surface layers and of single cells.

Metal adatoms generated by the co-play of melamine assembly and subsequent CO adsorption.

PubMed

Wang, Li; Chen, Qiwei; Shi, Hong; Liu, Huihui; Ren, Xinguo; Wang, Bing; Wu, Kai; Shao, Xiang

2016-01-28

Molecular self-assembly films are expected to tailor the surface process by the periodic nanostructures and add-on functional groups. In this work, a molecular network of melamine with featured pores of subnanometer size is prepared on the Au(111) surface, and is found to be able to trap the gold adatoms and concomitant single vacancies generated under the impingement of CO molecules at room temperature. DFT calculations suggest that the strong CO-Au adatom interaction as well as the high adhesion of the Au adatom inside the melamine pore could well be the driving force behind such process. This study not only sheds light onto the interactions between gasses and the metal surface that is covered by molecular self-assembly films, but also provides a novel route to manipulate the monoatomic surface species which is of catalytic interest.

The structure of human tripeptidyl peptidase II as determined by a hybrid approach.

PubMed

Schönegge, Anne-Marie; Villa, Elizabeth; Förster, Friedrich; Hegerl, Reiner; Peters, Jürgen; Baumeister, Wolfgang; Rockel, Beate

2012-04-04

Tripeptidyl-peptidase II (TPPII) is a high molecular mass (∼5 MDa) serine protease, which is thought to act downstream of the 26S proteasome, cleaving peptides released by the latter. Here, the structure of human TPPII (HsTPPII) has been determined to subnanometer resolution by cryoelectron microscopy and single-particle analysis. The complex is built from two strands forming a quasihelical structure harboring a complex system of inner cavities. HsTPPII particles exhibit some polymorphism resulting in complexes consisting of nine or of eight dimers per strand. To obtain deeper insights into the architecture and function of HsTPPII, we have created a pseudoatomic structure of the HsTPPII spindle using a comparative model of HsTPPII dimers and molecular dynamics flexible fitting. Analyses of the resulting hybrid structure of the HsTPPII holocomplex provide new insights into the mechanism of maturation and activation. Copyright © 2012 Elsevier Ltd. All rights reserved.

Tunneling Plasmonics in Bilayer Graphene.

PubMed

Fei, Z; Iwinski, E G; Ni, G X; Zhang, L M; Bao, W; Rodin, A S; Lee, Y; Wagner, M; Liu, M K; Dai, S; Goldflam, M D; Thiemens, M; Keilmann, F; Lau, C N; Castro-Neto, A H; Fogler, M M; Basov, D N

2015-08-12

We report experimental signatures of plasmonic effects due to electron tunneling between adjacent graphene layers. At subnanometer separation, such layers can form either a strongly coupled bilayer graphene with a Bernal stacking or a weakly coupled double-layer graphene with a random stacking order. Effects due to interlayer tunneling dominate in the former case but are negligible in the latter. We found through infrared nanoimaging that bilayer graphene supports plasmons with a higher degree of confinement compared to single- and double-layer graphene, a direct consequence of interlayer tunneling. Moreover, we were able to shut off plasmons in bilayer graphene through gating within a wide voltage range. Theoretical modeling indicates that such a plasmon-off region is directly linked to a gapped insulating state of bilayer graphene, yet another implication of interlayer tunneling. Our work uncovers essential plasmonic properties in bilayer graphene and suggests a possibility to achieve novel plasmonic functionalities in graphene few-layers.

Relaxometry imaging of superparamagnetic magnetite nanoparticles at ambient conditions

NASA Astrophysics Data System (ADS)

Finkler, Amit; Schmid-Lorch, Dominik; Häberle, Thomas; Reinhard, Friedemann; Zappe, Andrea; Slota, Michael; Bogani, Lapo; Wrachtrup, Jörg

We present a novel technique to image superparamagnetic iron oxide nanoparticles via their fluctuating magnetic fields. The detection is based on the nitrogen-vacancy (NV) color center in diamond, which allows optically detected magnetic resonance (ODMR) measurements on its electron spin structure. In combination with an atomic-force-microscope, this atomic-sized color center maps ambient magnetic fields in a wide frequency range from DC up to several GHz, while retaining a high spatial resolution in the sub-nanometer range. We demonstrate imaging of single 10 nm sized magnetite nanoparticles using this spin noise detection technique. By fitting simulations (Ornstein-Uhlenbeck process) to the data, we are able to infer additional information on such a particle and its dynamics, like the attempt frequency and the anisotropy constant. This is of high interest to the proposed application of magnetite nanoparticles as an alternative MRI contrast agent or to the field of particle-aided tumor hyperthermia.

Radar attenuation in Europa's ice shell: obstacles and opportunities for constraining shell thickness and thermal structure

NASA Astrophysics Data System (ADS)

Kalousova, Klara; Schroeder, Dustin M.; Soderlund, Krista M.; Sotin, Christophe

2016-10-01

With its strikingly young surface and possibly recent endogenic activity, Europa is one of the most exciting bodies within our Solar System and a primary target for spacecraft exploration. Future missions to Europa are expected to carry ice penetrating radar instruments which are powerful tools to investigate the subsurface thermophysical structure of its ice shell.Several authors have addressed the 'penetration depth' of radar sounders at icy moons, however, the concept and calculation of a single value penetration depth is a potentially misleading simplification since it ignores the thermal and attenuation structure complexity of a realistic ice shell. Here we move beyond the concept of a single penetration depth by exploring the variation in two-way radar attenuation for a variety of potential thermal structures of Europa's ice shell as well as for a low loss and high loss temperature-dependent attenuation model. The possibility to detect brines is also investigated.Our results indicate that: (i) for all ice shell thicknesses investigated (5-30 km), a nominal satellite-borne radar sounder will penetrate between 15% and 100% of the total thickness, (ii) the maximum penetration depth strongly varies laterally with the deepest penetration possible through the cold downwellings, (iii) the direct detection of the ice/ocean interface might be possible for shells of up to 15 km if the radar signal travels through the cold downwelling, (iv) even if the ice/ocean interface is not detected, the penetration through most of the shell could constrain the deep shell structure through the loss of signal, and (v) for all plausible ice shells the two-way attenuation to the eutectic point is ≤30 dB which shows a robust potential for longitudinal investigation of the ice shell's shallow structure.Part of this work has been performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract to NASA. K.K. acknowledges support by the Grant Agency of the Czech Republic through project 15-14263Y.

Single- and double- lumen silicone breast implant integrity: prospective evaluation of MR and US criteria.

PubMed

Berg, W A; Caskey, C I; Hamper, U M; Kuhlman, J E; Anderson, N D; Chang, B W; Sheth, S; Zerhouni, E A

1995-10-01

To evaluate the accuracy of magnetic resonance (MR) and ultrasound (US) criteria for breast implant integrity. One hundred twenty-two single-lumen silicone breast implants and 22 bilumen implants were evaluated with surface coil MR imaging and US and surgically removed. MR criteria for implant failure were a collapsed implant shell ("linguine sign"), foci of silicone outside the shell ("noose sign"), and extracapsular gel, US criteria were collapsed shell, low-level echoes within the gel, and "snowstorm" echoes of extracapsular silicone. Among single-lumen implants, MR imaging depicted 39 of 40 ruptures, 14 of 28 with minimal leakage; 49 of 54 intact implants were correctly interpreted. US depicted 26 of 40 ruptured implants, four of 28 with minimal leakage, and 30 of 54 intact implants. Among bilumen implants, MR imaging depicted four of five implants with rupture of both lumina and nine of 10 as intact; US depicted one rupture and helped identify two of 10 as intact. Mammography accurately depicted the status of 29 of 30 bilumen implants with MR imaging correlation. MR imaging depicts implant integrity more accurately than US; neither method reliably depicts minimal leakage with shell collapse. Mammography is useful in screening bilumen implant integrity.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Müller, Alfred; Bernhardt, Dietrich; Borovik, Alexander

Single, double, and triple photoionization of Ne + ions by single photons have been investigated at the synchrotron radiation source PETRA III in Hamburg, Germany. Absolute cross-sections were measured by employing the photon-ion merged-beams technique. Photon energies were between about 840 and 930 eV, covering the range from the lowest-energy resonances associated with the excitation of one single K-shell electron up to double excitations involving one K- and one L-shell electron, well beyond the K-shell ionization threshold. Also, photoionization of neutral Ne was investigated just below the K edge. The chosen photon energy bandwidths were between 32 and 500 meV,more » facilitating the determination of natural line widths. The uncertainty of the energy scale is estimated to be 0.2 eV. For comparison with existing theoretical calculations, astrophysically relevant photoabsorption cross-sections were inferred by summing the measured partial ionization channels. Discussion of the observed resonances in the different final ionization channels reveals the presence of complex Auger-decay mechanisms. The ejection of three electrons from the lowest K-shell-excited Ne + (1s2s 2p 6 2S 1/2) level, for example, requires cooperative interaction of at least four electrons.« less

Heteroepitaxial growth of Pt and Au thin films on MgO single crystals by bias-assisted sputtering

DOE PAGES

Tolstova, Yulia; Omelchenko, Stefan T.; Shing, Amanda M.; ...

2016-03-17

The crystallographic orientation of a metal affects its surface energy and structure, and has profound implications for surface chemical reactions and interface engineering, which are important in areas ranging from optoelectronic device fabrication to catalysis. However, it can be very difficult and expensive to manufacture, orient, and cut single crystal metals along different crystallographic orientations, especially in the case of precious metals. One approach is to grow thin metal films epitaxially on dielectric substrates. In this work, we report on growth of Pt and Au films on MgO single crystal substrates of (100) and (110) surface orientation for use asmore » epitaxial templates for thin film photovoltaic devices. We develop bias-assisted sputtering for deposition of oriented Pt and Au films with sub-nanometer roughness. We show that biasing the substrate decreases the substrate temperature necessary to achieve epitaxial orientation, with temperature reduction from 600 to 350 °C for Au, and from 750 to 550 °C for Pt, without use of transition metal seed layers. Additionally, this temperature can be further reduced by reducing the growth rate. Biased deposition with varying substrate bias power and working pressure also enables control of the film morphology and surface roughness.« less

Designing single- and multiple-shell sampling schemes for diffusion MRI using spherical code.

PubMed

Cheng, Jian; Shen, Dinggang; Yap, Pew-Thian

2014-01-01

In diffusion MRI (dMRI), determining an appropriate sampling scheme is crucial for acquiring the maximal amount of information for data reconstruction and analysis using the minimal amount of time. For single-shell acquisition, uniform sampling without directional preference is usually favored. To achieve this, a commonly used approach is the Electrostatic Energy Minimization (EEM) method introduced in dMRI by Jones et al. However, the electrostatic energy formulation in EEM is not directly related to the goal of optimal sampling-scheme design, i.e., achieving large angular separation between sampling points. A mathematically more natural approach is to consider the Spherical Code (SC) formulation, which aims to achieve uniform sampling by maximizing the minimal angular difference between sampling points on the unit sphere. Although SC is well studied in the mathematical literature, its current formulation is limited to a single shell and is not applicable to multiple shells. Moreover, SC, or more precisely continuous SC (CSC), currently can only be applied on the continuous unit sphere and hence cannot be used in situations where one or several subsets of sampling points need to be determined from an existing sampling scheme. In this case, discrete SC (DSC) is required. In this paper, we propose novel DSC and CSC methods for designing uniform single-/multi-shell sampling schemes. The DSC and CSC formulations are solved respectively by Mixed Integer Linear Programming (MILP) and a gradient descent approach. A fast greedy incremental solution is also provided for both DSC and CSC. To our knowledge, this is the first work to use SC formulation for designing sampling schemes in dMRI. Experimental results indicate that our methods obtain larger angular separation and better rotational invariance than the generalized EEM (gEEM) method currently used in the Human Connectome Project (HCP).

Progress toward an aberration-corrected low energy electron microscope for DNA sequencing and surface analysis.

PubMed

Mankos, Marian; Shadman, Khashayar; N'diaye, Alpha T; Schmid, Andreas K; Persson, Henrik H J; Davis, Ronald W

2012-11-01

Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel imaging technique aimed at high resolution imaging of macromolecules, nanoparticles, and surfaces. MAD-LEEM combines three innovative electron-optical concepts in a single tool: a monochromator, a mirror aberration corrector, and dual electron beam illumination. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. The aberration corrector is needed to achieve subnanometer resolution at landing energies of a few hundred electronvolts. The dual flood illumination approach eliminates charging effects generated when a conventional, single-beam LEEM is used to image insulating specimens. The low landing energy of electrons in the range of 0 to a few hundred electronvolts is also critical for avoiding radiation damage, as high energy electrons with kilo-electron-volt kinetic energies cause irreversible damage to many specimens, in particular biological molecules. The performance of the key electron-optical components of MAD-LEEM, the aberration corrector combined with the objective lens and a magnetic beam separator, was simulated. Initial results indicate that an electrostatic electron mirror has negative spherical and chromatic aberration coefficients that can be tuned over a large parameter range. The negative aberrations generated by the electron mirror can be used to compensate the aberrations of the LEEM objective lens for a range of electron energies and provide a path to achieving subnanometer spatial resolution. First experimental results on characterizing DNA molecules immobilized on Au substrates in a LEEM are presented. Images obtained in a spin-polarized LEEM demonstrate that high contrast is achievable at low electron energies in the range of 1-10 eV and show that small changes in landing energy have a strong impact on the achievable contrast. The MAD-LEEM approach promises to significantly improve the performance of a LEEM for a wide range of applications in the biosciences, material sciences, and nanotechnology where nanometer scale resolution and analytical capabilities are required. In particular, the microscope has the potential of delivering images of unlabeled DNA strands with nucleotide-specific contrast. This simplifies specimen preparation and significantly eases the computational complexity needed to assemble the DNA sequence from individual reads.

Progress toward an aberration-corrected low energy electron microscope for DNA sequencing and surface analysis

PubMed Central

Mankos, Marian; Shadman, Khashayar; N'Diaye, Alpha T.; Schmid, Andreas K.; Persson, Henrik H. J.; Davis, Ronald W.

2012-01-01

Monochromatic, aberration-corrected, dual-beam low energy electron microscopy (MAD-LEEM) is a novel imaging technique aimed at high resolution imaging of macromolecules, nanoparticles, and surfaces. MAD-LEEM combines three innovative electron–optical concepts in a single tool: a monochromator, a mirror aberration corrector, and dual electron beam illumination. The monochromator reduces the energy spread of the illuminating electron beam, which significantly improves spectroscopic and spatial resolution. The aberration corrector is needed to achieve subnanometer resolution at landing energies of a few hundred electronvolts. The dual flood illumination approach eliminates charging effects generated when a conventional, single-beam LEEM is used to image insulating specimens. The low landing energy of electrons in the range of 0 to a few hundred electronvolts is also critical for avoiding radiation damage, as high energy electrons with kilo-electron-volt kinetic energies cause irreversible damage to many specimens, in particular biological molecules. The performance of the key electron–optical components of MAD-LEEM, the aberration corrector combined with the objective lens and a magnetic beam separator, was simulated. Initial results indicate that an electrostatic electron mirror has negative spherical and chromatic aberration coefficients that can be tuned over a large parameter range. The negative aberrations generated by the electron mirror can be used to compensate the aberrations of the LEEM objective lens for a range of electron energies and provide a path to achieving subnanometer spatial resolution. First experimental results on characterizing DNA molecules immobilized on Au substrates in a LEEM are presented. Images obtained in a spin-polarized LEEM demonstrate that high contrast is achievable at low electron energies in the range of 1–10 eV and show that small changes in landing energy have a strong impact on the achievable contrast. The MAD-LEEM approach promises to significantly improve the performance of a LEEM for a wide range of applications in the biosciences, material sciences, and nanotechnology where nanometer scale resolution and analytical capabilities are required. In particular, the microscope has the potential of delivering images of unlabeled DNA strands with nucleotide-specific contrast. This simplifies specimen preparation and significantly eases the computational complexity needed to assemble the DNA sequence from individual reads. PMID:23847748

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ford, A.L.; Reading, J.F.; Becker, R.L.

Theoretical methods used previously for H/sup +/, He/sup 2 +/, and C/sup 6 +/ collisions with neutral argon atoms have been applied to collisions of H/sup +/, He/sup 2 +/, and Li/sup 3 +/ projectiles with neon, and to collisions of H/sup +/ with carbon targets. The energy range covered by the calculations is 0.4 to 4.0 MeV/amu for the neon target, and 0.2 to 2.0 MeV/amu for carbon. We calculate single-electron amplitudes for target K-shell ionization and target K- and L-shell, to projectile K-shell, charge transfer. These single-electron amplitudes are used, in an independent-particle model that allows for multielectronmore » processes, to compute K-shell vacancy production cross sections sigma/sup IPM//sub V/K, and cross sections sigma/sup IPM//sub C/,VK for producing a charge-transfer state of the projectile in the coincidence with a K-shell vacancy in the target. These cross sections are in reasonable agreement with the recent experiments of Rodbro et al. at Aarhus. In particular, the calculated, as well as the experimental, sigma/sub C/,VK scale with projectile nuclear charge Z/sub p/ less strongly than the Z/sup 5//sub p/ of the Oppenheimer-Brinkman-Kramers (OBK) approximation. For He/sup 2 +/ and Li/sup 3 +/ projectiles at collision energies below where experimental data are available, our calculated multielectron corrections to the single-electron approximation for sigma/sub C/,VK are large.« less

Glass shell manufacturing in space

NASA Technical Reports Server (NTRS)

Downs, R. L.; Ebner, M. A.; Nolen, R. L., Jr.

1981-01-01

Highly-uniform, hollow glass spheres (shells), which are used for inertial confinement fusion targets, were formed from metal-organic gel powder feedstock in a vertical furnace. As a result of the rapid pyrolysis caused by the furnace, the gel is transformed to a shell in five distinct stages: (a) surface closure of the porous gel; (b) generation of a closed-cell foam structure in the gel; (c) spheridization of the gel and further expansion of the foam; (d) coalescence of the closed-cell foam to a single-void shell; and (e) fining of the glass shell. The heat transfer from the furnace to the falling gel particle was modeled to determine the effective heating rate of the gel. The model predicts the temperature history for a particle as a function of mass, dimensions, specific heat, and absorptance as well as furnace temperature profile and thermal conductivity of the furnace gas. A model was developed that predicts the gravity-induced degradation of shell concentricity in falling molten shells as a function of shell characteristics and time.

PMMA/PS coaxial electrospinning: core-shell fiber morphology as a function of material parameters

NASA Astrophysics Data System (ADS)

Rahmani, Shahrzad; Arefazar, Ahmad; Latifi, Masoud

2017-03-01

Core-shell fibers of polymethyl methacrylate (PMMA) and polystyrene (PS) have been successfully electrospun by coaxial electrospinning. To evaluate the influence of the solvent on the final fiber morphology, four types of organic solvents were used in the shell solution while the core solvent was preserved. Morphological observations with scanning electron microscopy, transmission electron microscopy and optical microscopy revealed that both core and shell solvent properties were involved in the final fiber morphology. To explain this involvement, alongside a discussion of the Bagley solubility graph of PS and PMMA, a novel criterion based on solvent physical properties was introduced. A theoretical model based on the momentum conservation principle was developed and applied for describing the dependence of the core and shell diameters to their solvent combinations. Different concentrations of core and shell were also investigated in the coaxial electrospinning of PMMA/PS. The core-shell fiber morphologies with different core and shell concentrations were compared with their single electrospun fibers.

Visualization of Bacterial Microcompartment Facet Assembly Using High-Speed Atomic Force Microscopy

DOE PAGES

Sutter, Markus; Faulkner, Matthew; Aussignargues, Clément; ...

2015-11-30

Bacterial microcompartments (BMCs) are proteinaceous organelles widespread among bacterial phyla. They compartmentalize enzymes within a selectively permeable shell and play important roles in CO 2 fixation, pathogenesis, and microbial ecology. Here, we combine X-ray crystallography and high-speed atomic force microscopy to characterize, at molecular resolution, the structure and dynamics of BMC shell facet assembly. Our results show that preformed hexamers assemble into uniformly oriented shell layers, a single hexamer thick. We also observe the dynamic process of shell facet assembly. Shell hexamers can dissociate from and incorporate into assembled sheets, indicating a flexible intermolecular interaction. Furthermore, we demonstrate that themore » self-assembly and dynamics of shell proteins are governed by specific contacts at the interfaces of shell proteins. Our study provides novel insights into the formation, interactions, and dynamics of BMC shell facets, which are essential for the design and engineering of self-assembled biological nanoreactors and scaffolds based on BMC architectures.« less

Solar-Light-Driven Renewable Butanol Separation by Core-Shell Ag@ZIF-8 Nanowires.

PubMed

Liu, Xu; He, Liangcan; Zheng, Jianzhong; Guo, Jun; Bi, Feng; Ma, Xiang; Zhao, Kun; Liu, Yaling; Song, Rui; Tang, Zhiyong

2015-06-03

Core-shell Ag@ZIF-8 nanowires, where single Ag nanowires are coated with uniform zeolitic-imidazolate-framework-8 (ZIF-8) shells, successfully realize renewable adsorptive separation of low concentrations of butanol from an aqueous medium under solar light irradiation by taking advantage of the exceptional adsorption capability of the ZIF-8 shells toward butanol and the unique plasmonic photothermal effect of the Ag nanowire cores. Impressively, the high separation efficiency is maintained as almost unchanged, even after 10 adsorption/desorption cycles. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Review of high convergence implosion experiments with single and double shell targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delamater, N. D.; Watt, R. G.; Varnum, W. S.

2002-01-01

Experiments have been been performed in recent years at the Omega laser studying double shell capsules as an a1 teinative, 11011 cryogenic, path towards ignition at NTF. Double shell capsules designed to mitigate the Au M-band radiation asymmetries, were experimentally found to perform well in both spherical and cylindrical hohlraums, achieving near 1-D (-90 %) clean calculated yield at convergence comparable to that required for NIF ignition. Near-term plans include directly driven double shell experiments at Omega, which eliminates Au M-band radiation as a yield degradation m ec h an i s in.

Real-Time Intracellular Measurements of ROS and RNS in Living Cells with Single Core-Shell Nanowire Electrodes.

PubMed

Zhang, Xin-Wei; Qiu, Quan-Fa; Jiang, Hong; Zhang, Fu-Li; Liu, Yan-Lin; Amatore, Christian; Huang, Wei-Hua

2017-10-09

Nanoelectrodes allow precise and quantitative measurements of important biological processes at the single living-cell level in real time. Cylindrical nanowire electrodes (NWEs) required for intracellular measurements create a great challenge for achieving excellent electrochemical and mechanical performances. Herein, we present a facile and robust solution to this problem based on a unique SiC-core-shell design to produce cylindrical NWEs with superior mechanical toughness provided by the SiC nano-core and an excellent electrochemical performance provided by the ultrathin carbon shell that can be used as such or platinized. The use of such NWEs for biological applications is illustrated by the first quantitative measurements of ROS/RNS in individual phagolysosomes of living macrophages. As the shell material can be varied to meet any specific detection purpose, this work opens up new opportunities to monitor quantitatively biological functions occurring inside cells and their organelles. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

An efficient finite element with layerwise mechanics for smart piezoelectric composite and sandwich shallow shells

NASA Astrophysics Data System (ADS)

Yasin, M. Yaqoob; Kapuria, S.

2014-01-01

In this work, we present a new efficient four-node finite element for shallow multilayered piezoelectric shells, considering layerwise mechanics and electromechanical coupling. The laminate mechanics is based on the zigzag theory that has only seven kinematic degrees of freedom per node. The normal deformation of the piezoelectric layers under the electric field is accounted for without introducing any additional deflection variables. A consistent quadratic variation of the electric potential across the piezoelectric layers with the provision of satisfying the equipotential condition of electroded surfaces is adopted. The performance of the new element is demonstrated for the static response under mechanical and electric potential loads, and for free vibration response of smart shells under different boundary conditions. The predictions are found to be very close to the three dimensional piezoelasticity solutions for hybrid shells made of not only single-material composite substrates, but also sandwich substrates with a soft core for which the equivalent single layer (ESL) theories perform very badly.

Production and decay of K -shell hollow krypton in collisions with 52-197-MeV/u bare xenon ions

NASA Astrophysics Data System (ADS)

Shao, Caojie; Yu, Deyang; Cai, Xiaohong; Chen, Xi; Ma, Kun; Evslin, Jarah; Xue, Yingli; Wang, Wei; Kozhedub, Yury S.; Lu, Rongchun; Song, Zhangyong; Zhang, Mingwu; Liu, Junliang; Yang, Bian; Guo, Yipan; Zhang, Jianming; Ruan, Fangfang; Wu, Yehong; Zhang, Yuezhao; Dong, Chenzhong; Chen, Ximeng; Yang, Zhihu

2017-07-01

X-ray spectra of K -shell hollow krypton atoms produced in single collisions with 52-197-MeV/u X e54 + ions are measured in a heavy-ion storage ring equipped with an internal gas-jet target. Energy shifts of the K α1,2 s , K α1,2 h ,s , and K β1,3 s transitions are obtained. Thus the average number of the spectator L vacancies presented during the x-ray emission is deduced. From the relative intensities of the K α1,2 s and K α1,2 h ,s transitions, the ratio of K -shell hollow krypton to singly K -shell ionized atoms is determined to be 14 %-24 % . In the considered collisions, the K vacancies are mainly created by the direct ionization which cannot be calculated within the perturbation descriptions. The experimental results are compared with a relativistic coupled-channel calculation performed within the independent particle approximation.

Growth of multi-component alloy films with controlled graded chemical composition on sub-nanometer scale

DOEpatents

Bajt, Sasa; Vernon, Stephen P.

2005-03-15

The chemical composition of thin films is modulated during their growth. A computer code has been developed to design specific processes for producing a desired chemical composition for various deposition geometries. Good agreement between theoretical and experimental results was achieved.

Implosion Dynamics and Mix in Double-Shell ICF Capsule Designs

NASA Astrophysics Data System (ADS)

Gunderson, Mark; Daughton, William; Simakov, Andrei; Wilson, Douglas; Watt, Robert; Delamater, Norman; Montgomery, David

2015-11-01

From an implosion dynamics perspective, double-shell ICF capsule designs have several advantages over the single-shell NIF ICF capsule point design. Double shell designs do not require precise shock sequencing, do not rely on hot spot ignition, have lower peak implosion speed requirements, and have lower convergence ratio requirements. However, there are still hurdles that must be overcome. The timing of the two main shocks in these designs is important in achieving sufficient compression of the DT fuel. Instability of the inner gold shell due to preheat from the hohlraum environment can disrupt the implosion of the inner pill. Mix, in addition to quenching burn in the DT fuel, also decreases the transfer of energy between the beryllium ablator and the inner gold shell during collision thus decreasing the implosion speed of the inner shell along with compression of the DT fuel. Herein, we will discuss practical implications of these effects on double-shell design we carry out in preparation for the NIF double-shell campaign. Work performed under the auspices of DOE by LANL under contract DE-AC52-06NA25396.

Bipolar resistive switching of single gold-in-Ga2O3 nanowire.

PubMed

Hsu, Chia-Wei; Chou, Li-Jen

2012-08-08

We have fabricated single nanowire chips on gold-in-Ga(2)O(3) core-shell nanowires using the electron-beam lithography techniques and realized bipolar resistive switching characteristics having invariable set and reset voltages. We attribute the unique property of invariance to the built-in conduction path of gold core. This invariance allows us to fabricate many resistive switching cells with the same operating voltage by simple depositing repetitive metal electrodes along a single nanowire. Other characteristics of these core-shell resistive switching nanowires include comparable driving electric field with other thin film and nanowire devices and a remarkable on/off ratio more than 3 orders of magnitude at a low driving voltage of 2 V. A smaller but still impressive on/off ratio of 10 can be obtained at an even lower bias of 0.2 V. These characteristics of gold-in-Ga(2)O(3) core-shell nanowires make fabrication of future high-density resistive memory devices possible.

Single Domain SmCo5@Co Exchange-coupled Magnets Prepared from Core/shell Sm[Co(CN)6]·4H2O@GO Particles: A Novel Chemical Approach

PubMed Central

Yang, Ce; Jia, Lihui; Wang, Shouguo; Gao, Chen; Shi, Dawei; Hou, Yanglong; Gao, Song

2013-01-01

SmCo5 based magnets with smaller size and larger maximum energy product have been long desired in various fields such as renewable energy technology, electronic industry and aerospace science. However, conventional relatively rough synthetic strategies will lead to either diminished magnetic properties or irregular morphology, which hindered their wide applications. In this article, we present a facile chemical approach to prepare 200 nm single domain SmCo5@Co core/shell magnets with coercivity of 20.7 kOe and saturation magnetization of 82 emu/g. We found that the incorporation of GO sheets is responsible for the generation of the unique structure. The single domain SmCo5 core contributes to the large coercivity of the magnets and the exchange-coupled Co shell enhances the magnetization. This method can be further utilized in the synthesis other Sm-Co based exchange-coupled magnets. PMID:24356309

Dependence of weak interaction rates on the nuclear composition during stellar core collapse

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

2017-02-01

We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

A shell approach for fibrous reinforcement forming simulations

NASA Astrophysics Data System (ADS)

Liang, B.; Colmars, J.; Boisse, P.

2018-05-01

Because of the slippage between fibers, the basic assumptions of classical plate and shell theories are not verified by fiber reinforcement during a forming. However, simulations of reinforcement forming use shell finite elements when wrinkles development is important. A shell formulation is proposed for the forming simulations of continuous fiber reinforcements. The large tensile stiffness leads to the quasi inextensibility in the fiber directions. The fiber bending stiffness determines the curvature of the reinforcement. The calculation of tensile and bending virtual works are based on the precise geometry of the single fiber. Simulations and experiments are compared for different reinforcements. It is shown that the proposed fibrous shell approach not only correctly simulates the deflections but also the rotations of the through thickness material normals.

Photoionization of Ne Atoms and Ne + Ions Near the K Edge: PrecisionSpectroscopy and Absolute Cross-sections

DOE PAGES

Müller, Alfred; Bernhardt, Dietrich; Borovik, Alexander; ...

2017-02-17

Single, double, and triple photoionization of Ne + ions by single photons have been investigated at the synchrotron radiation source PETRA III in Hamburg, Germany. Absolute cross-sections were measured by employing the photon-ion merged-beams technique. Photon energies were between about 840 and 930 eV, covering the range from the lowest-energy resonances associated with the excitation of one single K-shell electron up to double excitations involving one K- and one L-shell electron, well beyond the K-shell ionization threshold. Also, photoionization of neutral Ne was investigated just below the K edge. The chosen photon energy bandwidths were between 32 and 500 meV,more » facilitating the determination of natural line widths. The uncertainty of the energy scale is estimated to be 0.2 eV. For comparison with existing theoretical calculations, astrophysically relevant photoabsorption cross-sections were inferred by summing the measured partial ionization channels. Discussion of the observed resonances in the different final ionization channels reveals the presence of complex Auger-decay mechanisms. The ejection of three electrons from the lowest K-shell-excited Ne + (1s2s 2p 6 2S 1/2) level, for example, requires cooperative interaction of at least four electrons.« less

Summary of Group Development and Testing for Single Shell Tank Closure at Hanford

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harbour, John, R.

2005-04-28

This report is a summary of the bench-scale and large scale experimental studies performed by Savannah River National Laboratory for CH2M HILL to develop grout design mixes for possible use in producing fill materials as a part of Tank Closure of the Single-Shell Tanks at Hanford. The grout development data provided in this report demonstrates that these design mixes will produce fill materials that are ready for use in Hanford single shell tank closure. The purpose of this report is to assess the ability of the proposed grout specifications to meet the current requirements for successful single shell tank closuremore » which will include the contracting of services for construction and operation of a grout batch plant. The research and field experience gained by SRNL in the closure of Tanks 17F and 20F at the Savannah River Site was leveraged into the grout development efforts for Hanford. It is concluded that the three Hanford grout design mixes provide fill materials that meet the current requirements for successful placement. This conclusion is based on the completion of recommended testing using Hanford area materials by the operators of the grout batch plant. This report summarizes the regulatory drivers and the requirements for grout mixes as tank fill material. It is these requirements for both fresh and cured grout properties that drove the development of the grout formulations for the stabilization, structural and capping layers.« less

Deriving the Distribution of Conjunctions.

ERIC Educational Resources Information Center

Zoerner, Ed

1994-01-01

This paper proposes an explanation for the limited possibilities of realized conjunctions in multitermed coordinations. It argues that conjunction "&" heads a fully articulated phrase (&P), which can iterate &P shells, similar to "V" in Larson's (1988) VP-shell hypothesis. This structure enables a single & to unify any number of conjuncts, and…

Periodicity and Some Graphical Insights on the Tendency toward Empty, Half-full, and Full Subshells.

ERIC Educational Resources Information Center

Rich, Ronald L.; Suter, Robert W.

1988-01-01

Investigates ground state electron configurations for some common elements using graphical methods. Bases observed tendencies on following ideas: "occupancy of differing shells, occupancy of differing subshells within a given shell, double occupancy vs. single occupancy of an orbital, and quantum-mechanical exchange." (ML)

Atomistic tight-binding theory of excitonic splitting energies in CdX(X = Se, S and Te)/ZnS core/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak; Pinsook, Udomsilp

2017-01-01

Using the atomistic tight-binding theory (TB) and a configuration interaction description (CI), we numerically compute the excitonic splitting of CdX(X = Se, S and Te)/ZnS core/shell nanocrystals with the objective to explain how types of the core materials and growth shell thickness can provide the detailed manipulation of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting, beneficial for the active application of quantum information. To analyze the splitting of the excitonic states, the optical band gaps, ground-state wave function overlaps and atomistic electron-hole interactions tend to be numerically demonstrated. Based on the atomistic computations, the single-particle and excitonic gaps are mainly reduced with the increasing ZnS shell thickness owing to the quantum confinement. In the range of the higher to lower energies, the order of the single-particle gaps is CdSe/ZnS, CdS/ZnS and CdTe/ZnS core/shell nanocrystals, while one of the excitonic gaps is CdS/ZnS, CdSe/ZnS and CdTe/ZnS core/shell nanocrystals because of the atomistic electron-hole interaction. The strongest electron-hole interactions are mainly observed in CdSe/ZnS core/shell nanocrystals. In addition, the computational results underline that the energies of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting are generally reduced with the increasing ZnS growth shell thickness as described by the trend of the electron-hole exchange interaction. The high-to-low splitting of the excitonic states is demonstrated in CdSe/ZnS, CdTe/ZnS and CdS/ZnS core/shell nanocrystals because of the fashion in the electron-hole exchange interaction and overlaps of the electron-hole wave functions. As the resulting calculations, it is expected that CdS/ZnS core/shell nanocrystals are the best candidates to be the source of entangled photons. Finally, the comprehensive information on the excitonic splitting can enable the use of suitable core/shell nanocrystals for the entangled photons in the application of quantum information.

Rationally Designed Graphene-Nanotube 3D Architectures with a Seamless Nodal Junction for Efficient Energy Conversion and Storage

DTIC Science & Technology

2015-09-04

aluminum wire into an anodized aluminum oxide ( AAO ) shell (step 1, Fig. 1, A and B). The thickness of the resulting AAO shell can be...regulated by changing the anodizing time. Thus, a prepared wire with aluminum core and AAO shell ( AAO wire) was then used as a template for a single-step...showing the synthesis and microstructures of a 3D graphene-RACNT fiber. (A) Aluminum wire. (B) Surface anodized aluminum wire ( AAO wire). (C)

Bandgap Engineering of InP QDs Through Shell Thickness and Composition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dennis, Allison M.; Mangum, Benjamin D.; Piryatinski, Andrei

2012-06-21

Fields as diverse as biological imaging and telecommunications utilize the unique photophysical and electronic properties of nanocrystal quantum dots (NQDs). The development of new NQD compositions promises material properties optimized for specific applications, while addressing material toxicity. Indium phosphide (InP) offers a 'green' alternative to the traditional cadmium-based NQDs, but suffers from extreme susceptibility to oxidation. Coating InP cores with more stable shell materials significantly improves nanocrystal resistance to oxidation and photostability. We have investigated several new InP-based core-shell compositions, correlating our results with theoretical predictions of their optical and electronic properties. Specifically, we can tailor the InP core-shell QDsmore » to a type-I, quasi-type-II, or type-II bandgap structure with emission wavelengths ranging from 500-1300 nm depending on the shell material used (ZnS, ZnSe, CdS, or CdSe) and the thickness of the shell. Single molecule microscopy assessments of photobleaching and blinking are used to correlate NQD properties with shell thickness.« less

Modeling the gain of inner-shell X-ray laser transitions in neon, argon, and copper driven by X-ray free electron laser radiation using photo-ionization and photo-excitation processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nilsen, Joseph

2015-12-16

Using an X-ray free electron laser (XFEL) at 960 eV to photo-ionize the 1s electron in neutral neon followed by lasing on the 2p-1s transition in singly-ionized neon, an inner-shell X-ray laser was demonstrated at 849 eV in singly-ionized neon gas several years ago. It took decades to demonstrate this scheme, because it required a very strong X-ray source that could photo-ionize the 1s (K shell) electron in neon on a timescale comparable to the intrinsic Auger lifetime in neon of 2 fs. In this paper, we model the neon inner shell X-ray laser under similar conditions to those usedmore » in the XFEL experiments at the SLAC Linac Coherent Light Source (LCLS), and show how we can improve the efficiency of the neon laser and reduce the drive requirements by tuning the XFEL to the 1s-3p transition in neutral neon in order to create gain on the 2p-1s line in neutral neon. We also show how the XFEL could be used to photo-ionize L-shell electrons to drive gain on n = 3–2 transitions in singly-ionized Ar and Cu plasmas. Furthermore, these bright, coherent, and monochromatic X-ray lasers may prove very useful for doing high-resolution spectroscopy and for studying non-linear process in the X-ray regime.« less

Size-Dependent Biexciton Quantum Yields and Carrier Dynamics of Quasi-Two-Dimensional Core/Shell Nanoplatelets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Xuedan; Diroll, Benjamin T.; Cho, Wooje

Quasi-two-dimensional nanoplatelets (NPLs) possess fundamentally different excitonic properties from zero-dimensional quantum dots. We study lateral size-dependent photon emission statistics and carrier dynamics of individual NPLs using second-order photon correlation (g( 2)(τ)) spectroscopy and photoluminescence (PL) intensity-dependent lifetime analysis. Room-temperature radiative lifetimes of NPLs can be derived from maximum PL intensity periods in PL time traces. It first decreases with NPL lateral size and then stays constant, deviating from the electric dipole approximation. Analysis of the PL time traces further reveals that the single exciton quantum yield in NPLs decreases with NPL lateral size and increases with protecting shell thickness, indicatingmore » the importance of surface passivation on NPL emission quality. Second-order photon correlation (g( 2)(τ)) studies of single NPLs show that the biexciton quantum yield is strongly dependent on the lateral size and single exciton quantum yield of the NPLs. In large NPLs with unity single exciton quantum yield, the corresponding biexciton quantum yield can reach unity. In conclusion, these findings reveal that by careful growth control and core–shell material engineering, NPLs can be of great potential for light amplification and integrated quantum photonic applications.« less

Size-Dependent Biexciton Quantum Yields and Carrier Dynamics of Quasi-Two-Dimensional Core/Shell Nanoplatelets

DOE PAGES

Ma, Xuedan; Diroll, Benjamin T.; Cho, Wooje; ...

2017-08-08

Quasi-two-dimensional nanoplatelets (NPLs) possess fundamentally different excitonic properties from zero-dimensional quantum dots. We study lateral size-dependent photon emission statistics and carrier dynamics of individual NPLs using second-order photon correlation (g( 2)(τ)) spectroscopy and photoluminescence (PL) intensity-dependent lifetime analysis. Room-temperature radiative lifetimes of NPLs can be derived from maximum PL intensity periods in PL time traces. It first decreases with NPL lateral size and then stays constant, deviating from the electric dipole approximation. Analysis of the PL time traces further reveals that the single exciton quantum yield in NPLs decreases with NPL lateral size and increases with protecting shell thickness, indicatingmore » the importance of surface passivation on NPL emission quality. Second-order photon correlation (g( 2)(τ)) studies of single NPLs show that the biexciton quantum yield is strongly dependent on the lateral size and single exciton quantum yield of the NPLs. In large NPLs with unity single exciton quantum yield, the corresponding biexciton quantum yield can reach unity. In conclusion, these findings reveal that by careful growth control and core–shell material engineering, NPLs can be of great potential for light amplification and integrated quantum photonic applications.« less

Application of the Kishimoto-Tamura boson expansion theory to a single-j shell model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C.T.; Pedrocchi, V.G.; Tamura, T.

1985-11-01

The boson expansion theory of Kishimoto and Tamura is applied to a single-j shell model. It is shown that this theory is quite accurate, giving results that agree very closely with those of the exact fermion calculations. The fast convergence of the boson expansion is also demonstrated. A critical discussion is then made of an earlier paper by Arima, in which he stated that the Kishimoto-Tamura theory gives rise to very poor numerical results. The source of the trouble encountered by Arima is unmasked.

Emission Behavior of Fluorescently Labeled Silver Nanoshell: Enhanced Self-Quenching by Metal Nanostructure.

PubMed

Zhang, Jian; Fu, Yi; Lakowicz, Joseph R

2007-02-08

Labeled silica beads with an average diameter of 100 nm were synthesized by incorporating with 20-600 μM Ru(bpy)(3) (2+) complexes. Silver shells were deposited on the beads layer-by-layer with the shell thickness of 5-50 nm. The emission band became narrower and the intensity was enhanced depending on the shell thickness. Self-quenching of the probe was observed at high concentration. Poisson statistics were employed to analyze self-quenching of the fluorophores. The estimated quenching distance was extended from 6 to 16 nm with shell growth from 0 to 50 nm. Moreover, the silver shells were also labeled with Rhodamine 6G. Fluorescence enhancement and reduced lifetime were also observed for silver-silica shell containing R6G. We found that by adjustment of probe concentration and silver shell thickness, a Ru(bpy)(3) (2+)-labeled particle could be 600 times brighter than an isolated Ru(bpy)(3) (2+) molecule. We expect labeled metal core-shell structures can become useful probes for high sensitivity and/or single particle assay.

Resource Letter NSM-1: New insights into the nuclear shell model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dean, David Jarvis; Hamilton, J. H.

2011-01-01

This Resource Letter provides a guide to the literature on the spherical shell model as applied to nuclei. The nuclear shell model describes the structure of nuclei starting with a nuclear core developed by the classical neutron and proton magic numbers N,Z=2,8,20,28,50,82, 126, where gaps occur in the single-particle energies as a shell is filled, and the interactions of valence nucleons that reside beyond that core. Various modern extensions of this model for spherical nuclei are likewise described. Significant extensions of the nuclear shell model include new magic numbers for spherical nuclei and now for deformed nuclei as well. Whenmore » both protons and neutrons have shell gaps at the same spherical or deformed shapes, they can reinforce each other to give added stability to that shape and lead to new magic numbers. The vanishings of the classical spherical shell model energy gaps and magic numbers in new neutron-rich nuclei are described. Spherical and deformed shell gaps are seen to be critical for the existence of elements with Z > 100.« less

Core-shell Au-Pd nanoparticles as cathode catalysts for microbial fuel cell applications

PubMed Central

Yang, Gaixiu; Chen, Dong; Lv, Pengmei; Kong, Xiaoying; Sun, Yongming; Wang, Zhongming; Yuan, Zhenhong; Liu, Hui; Yang, Jun

2016-01-01

Bimetallic nanoparticles with core-shell structures usually display enhanced catalytic properties due to the lattice strain created between the core and shell regions. In this study, we demonstrate the application of bimetallic Au-Pd nanoparticles with an Au core and a thin Pd shell as cathode catalysts in microbial fuel cells, which represent a promising technology for wastewater treatment, while directly generating electrical energy. In specific, in comparison with the hollow structured Pt nanoparticles, a benchmark for the electrocatalysis, the bimetallic core-shell Au-Pd nanoparticles are found to have superior activity and stability for oxygen reduction reaction in a neutral condition due to the strong electronic interaction and lattice strain effect between the Au core and the Pd shell domains. The maximum power density generated in a membraneless single-chamber microbial fuel cell running on wastewater with core-shell Au-Pd as cathode catalysts is ca. 16.0 W m−3 and remains stable over 150 days, clearly illustrating the potential of core-shell nanostructures in the applications of microbial fuel cells. PMID:27734945

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection

NASA Astrophysics Data System (ADS)

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO2@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC3H7)4] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO2 shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO2 coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors.

Estimation of turgor pressure through comparison between single plant cell and pressurized shell mechanics

NASA Astrophysics Data System (ADS)

Durand-Smet, P.; Gauquelin, E.; Chastrette, N.; Boudaoud, A.; Asnacios, A.

2017-10-01

While plant growth is well known to rely on turgor pressure, it is challenging to quantify the contribution of turgor pressure to plant cell rheology. Here we used a custom-made micro-rheometer to quantify the viscoelastic behavior of isolated plant cells while varying their internal turgor pressure. To get insight into how plant cells adapt their internal pressure to the osmolarity of their medium, we compared the mechanical behavior of single plant cells to that of a simple, passive, pressurized shell: a soccer ball. While both systems exhibited the same qualitative behavior, a simple mechanical model allowed us to quantify turgor pressure regulation at the single cell scale.

Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.

2018-03-01

A beam containing a substantial component of both the J(pi) = 5(+), T-1/2 = 162 ns isomeric state of F-18 and its 1(+), 109.77-min ground state is utilized to study members of the ground-state rotational band in F-19 through the neutron transfer reaction (d,p) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13/2(+) band-terminating state. The agreement between shell-model calculations using an interaction constructed within the sd shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

Iridium-decorated palladium-platinum core-shell catalysts for oxygen reduction reaction in proton exchange membrane fuel cell.

PubMed

Wang, Chen-Hao; Hsu, Hsin-Cheng; Wang, Kai-Ching

2014-08-01

Carbon-supported Pt, Pd, Pd-Pt core-shell (Pt(shell)-Pd(core)/C) and Ir-decorated Pd-Pt core-shell (Ir-decorated Pt(shell)-Pd(core)/C) catalysts were synthesized, and their physical properties, electrochemical behaviors, oxygen reduction reaction (ORR) characteristics and proton exchange membrane fuel cell (PEMFC) performances were investigated herein. From the XRD patterns and TEM images, Ir-decorated Pt(shell)-Pd(core)/C has been confirmed that Pt was deposited on the Pd nanoparticle which had the core-shell structure. Ir-decorated Pt(shell)-Pd(core)/C has more positive OH reduction peak than Pt/C, which is beneficial to weaken the binding energy of Pt-OH during the ORR. Thus, Ir-decorated Pt(shell)-Pd(core)/C has higher ORR activity than Pt/C. The maximum power density of H2-O2 PEMFC using Ir-decorated Pt(shell)-Pd(core)/C is 792.2 mW cm(-2) at 70°C, which is 24% higher than that using Pt/C. The single-cell accelerated degradation test of PEMFC using Ir-decorated Pt(shell)-Pd(core)/C shows good durability by the potential cycling of 40,000 cycles. This study concludes that Ir-decorated Pt(shell)-Pd(core)/C has the low Pt content, but it can facilitate the low-cost and high-efficient PEMFC. Copyright © 2013 Elsevier Inc. All rights reserved.

Ocean acidification alters the material properties of Mytilus edulis shells

PubMed Central

Fitzer, Susan C.; Zhu, Wenzhong; Tanner, K. Elizabeth; Phoenix, Vernon R.; Kamenos, Nicholas A.; Cusack, Maggie

2015-01-01

Ocean acidification (OA) and the resultant changing carbonate saturation states is threatening the formation of calcium carbonate shells and exoskeletons of marine organisms. The production of biominerals in such organisms relies on the availability of carbonate and the ability of the organism to biomineralize in changing environments. To understand how biomineralizers will respond to OA the common blue mussel, Mytilus edulis, was cultured at projected levels of pCO2 (380, 550, 750, 1000 µatm) and increased temperatures (ambient, ambient plus 2°C). Nanoindentation (a single mussel shell) and microhardness testing were used to assess the material properties of the shells. Young's modulus (E), hardness (H) and toughness (KIC) were measured in mussel shells grown in multiple stressor conditions. OA caused mussels to produce shell calcite that is stiffer (higher modulus of elasticity) and harder than shells grown in control conditions. The outer shell (calcite) is more brittle in OA conditions while the inner shell (aragonite) is softer and less stiff in shells grown under OA conditions. Combining increasing ocean pCO2 and temperatures as projected for future global ocean appears to reduce the impact of increasing pCO2 on the material properties of the mussel shell. OA may cause changes in shell material properties that could prove problematic under predation scenarios for the mussels; however, this may be partially mitigated by increasing temperature. PMID:25540244

Coupled mixed-field laminate theory and finite element for smart piezoelectric composite shell structures

NASA Technical Reports Server (NTRS)

Saravanos, Dimitris A.

1996-01-01

Mechanics for the analysis of laminated composite shells with piezoelectric actuators and sensors are presented. A new mixed-field laminate theory for piezoelectric shells is formulated in curvilinear coordinates which combines single-layer assumptions for the displacements and a layerwise representation for the electric potential. The resultant coupled governing equations for curvilinear piezoelectric laminates are described. Structural mechanics are subsequently developed and an 8-node finite-element is formulated for the static and dynamic analysis of adaptive composite structures of general laminations containing piezoelectric layers. Evaluations of the method and comparisons with reported results are presented for laminated piezoelectric-composite plates, a closed cylindrical shell with a continuous piezoceramic layer and a laminated composite semi-circular cantilever shell with discrete cylindrical piezoelectric actuators and/or sensors.

Polar wander of an ice shell on Europa

NASA Technical Reports Server (NTRS)

Ojakangas, Gregory W.; Stevenson, David J.

1989-01-01

The present consideration of a hypothesized ice shell around Europa, which is decoupled from the silicate core by a liquid water layer and possesses a spatially varying thermal equilibrium thickness profile, proceeds through the development of equations for variations in the inertia tensor of a body when second-harmonic-degree topography is added to the crustal base. Attention is given to a realistic model in which the shell and ocean are assumed to undergo reorientations as a single entity independently of the core, but subject to viscous dissipation within the shell. Shell friction is in this case noted to preclude polar wander, unless a low conductivity regolith increases the near-surface temperature by a few tens of degrees C; the ice beneath the regolith would then behave viscously on the time-scale of polar wander.

Ignition of deuterium-trtium fuel targets

DOEpatents

Musinski, Donald L.; Mruzek, Michael T.

1991-01-01

A method of igniting a deuterium-tritium ICF fuel target to obtain fuel burn in which the fuel target initially includes a hollow spherical shell having a frozen layer of DT material at substantially uniform thickness and cryogenic temperature around the interior surface of the shell. The target is permitted to free-fall through a target chamber having walls heated by successive target ignitions, so that the target is uniformly heated during free-fall to at least partially melt the frozen fuel layer and form a liquid single-phase layer or a mixed liquid/solid bi-phase layer of substantially uniform thickness around the interior shell surface. The falling target is then illuminated from exteriorly of the chamber while the fuel layer is at substantially uniformly single or bi-phase so as to ignite the fuel layer and release energy therefrom.

Ignition of deuterium-tritium fuel targets

DOEpatents

Musinski, D.L.; Mruzek, M.T.

1991-08-27

Disclosed is a method of igniting a deuterium-tritium ICF fuel target to obtain fuel burn in which the fuel target initially includes a hollow spherical shell having a frozen layer of DT material at substantially uniform thickness and cryogenic temperature around the interior surface of the shell. The target is permitted to free-fall through a target chamber having walls heated by successive target ignitions, so that the target is uniformly heated during free-fall to at least partially melt the frozen fuel layer and form a liquid single-phase layer or a mixed liquid/solid bi-phase layer of substantially uniform thickness around the interior shell surface. The falling target is then illuminated from exteriorly of the chamber while the fuel layer is at substantially uniformly single or bi-phase so as to ignite the fuel layer and release energy therefrom. 5 figures.

Off-shell single-top production at NLO matched to parton showers

DOE PAGES

Frederix, R.; Frixione, S.; Papanastasiou, A. S.; ...

2016-06-06

We study the hadroproduction of a Wb pair in association with a light jet, focusing on the dominant t-channel contribution and including exactly at the matrix-element level all non-resonant and off-shell effects induced by the finite top-quark width. Our simulations are accurate to the next-to-leading order in QCD, and are matched to the Herwig6 and Pythia8 parton showers through the MC@NLO method. We present phenomenological results relevant to the 8 TeV LHC, and carry out a thorough comparison to the case of on-shell t-channel single-top production. Furthermore, we formulate our approach so that it can be applied to the generalmore » case of matrix elements that feature coloured intermediate resonances and are matched to parton showers.« less

The Effects of Geometric and Loading Imperfections on the Response and Lower-Bound Buckling Load of a Compression-Loaded Cylindrical Shell

NASA Technical Reports Server (NTRS)

Kriegesmann, Benedikt; Hilburger, Mark W.; Rolfes, Raimund

2012-01-01

Results from a numerical study of the buckling response of a thin-walled compressionloaded isotropic circular cylindrical shell with initial geometric and loading imperfections are used to determine a lower bound buckling load estimate suitable for preliminary design. The lower bound prediction techniques presented herein include an imperfection caused by a lateral perturbation load, an imperfection in the shape of a single stress-free dimple (similar to the lateral pertubation imperfection), and a distributed load imperfection that induces a nonuniform load in the shell. The ABAQUS finite element code is used for the analyses. Responses of the cylinders for selected imperfection amplitudes and imperfection types are considered, and the effect of each imperfection is compared to the response of a geometrically perfect cylinder. The results indicate that compression-loaded shells subjected to a lateral perturbation load or a single dimple imperfection, and a nonuniform load imperfection, exhibit similar buckling behavior and lower bound trends and the predicted lower bounds are much less conservative than the corresponding design recommendation NASA SP-8007 for the design of buckling-critical shells. In addition, the lateral perturbation technique and the distributed load imperfection produce response characteristics that are physically meaningful and can be validated via laboratory testing.

Magnetic carbon nanostructures: microwave energy-assisted pyrolysis vs. conventional pyrolysis.

PubMed

Zhu, Jiahua; Pallavkar, Sameer; Chen, Minjiao; Yerra, Narendranath; Luo, Zhiping; Colorado, Henry A; Lin, Hongfei; Haldolaarachchige, Neel; Khasanov, Airat; Ho, Thomas C; Young, David P; Wei, Suying; Guo, Zhanhu

2013-01-11

Magnetic carbon nanostructures from microwave assisted- and conventional-pyrolysis processes are compared. Unlike graphitized carbon shells from conventional heating, different carbon shell morphologies including nanotubes, nanoflakes and amorphous carbon were observed. Crystalline iron and cementite were observed in the magnetic core, different from a single cementite phase from the conventional process.

The role of radiative de-excitation in the neutralization process of highly charged ions interacting with a single layer of graphene

NASA Astrophysics Data System (ADS)

Schwestka, J.; Wilhelm, R. A.; Gruber, E.; Heller, R.; Kozubek, R.; Schleberger, M.; Facsko, S.; Aumayr, F.

2018-05-01

X-ray emission of slow (<1 a.u.) highly charged Argon and Xenon ions is measured for transmission through a freestanding single layer of graphene. To discriminate against X-ray emission originating from the graphene's support grid a coincidence technique is used. X-ray emission of 75 keV Ar17+ and Ar18+ ions with either one or two K-shell vacancies is recorded. Using a windowless Bruker XFlash detector allows us to measure additionally Ar KLL and KLM Auger electrons and determine the branching ratio of radiative vs. non-radiative decay of Ar K-shell holes. Furthermore, X-ray spectra for 100 keV Xe22+-Xe35+ ions are compared, showing a broad M-line peak for all cases, where M-shell vacancies are present. All these peaks are accompanied by emission lines at still higher energies indicating the presence of a hollow atom during X-ray decay. We report a linear shift of the main M-line peak to higher energies for increasing incident charge state, i.e. increasing number of M-shell holes.

Effectively-truncated large-scale shell-model calculations and nuclei around 100Sn

NASA Astrophysics Data System (ADS)

Gargano, A.; Coraggio, L.; Itaco, N.

2017-09-01

This paper presents a short overview of a procedure we have recently introduced, dubbed the double-step truncation method, which is aimed to reduce the computational complexity of large-scale shell-model calculations. Within this procedure, one starts with a realistic shell-model Hamiltonian defined in a large model space, and then, by analyzing the effective single particle energies of this Hamiltonian as a function of the number of valence protons and/or neutrons, reduced model spaces are identified containing only the single-particle orbitals relevant to the description of the spectroscopic properties of a certain class of nuclei. As a final step, new effective shell-model Hamiltonians defined within the reduced model spaces are derived by way of a unitary transformation of the original large-scale Hamiltonian. A detailed account of this transformation is given and the merit of the double-step truncation method is illustrated by discussing few selected results for 96Mo, described as four protons and four neutrons outside 88Sr. Some new preliminary results for light odd-tin isotopes from A = 101 to 107 are also reported.

Increase in capacitance by subnanometer pores in carbon

DOE PAGES

Jackel, Nicolas; Simon, Patrice; Gogotsi, Yury G.; ...

2016-11-21

Electrical double-layer capacitors (EDLCs, also known as supercapacitors or ultracapacitors) store energy by electrosorption of ions at the electrode/electrolyte interface. In addition, to achieve a high-energy storage capacity, electrodes with a high surface area and well-developed pore structure in the range from several Angstroms to several tens of nanometers are required.

Structural Performance of Advanced Composite Tow-Steered Shells With Cutouts

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Turpin, Jason D.; Stanford, Bret K.; Martin, Robert A.

2014-01-01

The structural performance of two advanced composite tow-steered shells with cutouts, manufactured using an automated fiber placement system, is assessed using both experimental and analytical methods. The shells' fiber orientation angles vary continuously around their circumference from +/-10 degrees on the crown and keel, to +/-45 degrees on the sides. The raised surface features on one shell result from application of all 24 tows during each fiber placement system pass, while the second shell uses the system's tow drop/add capability to achieve a more uniform wall thickness. These unstiffened shells were previously tested in axial compression and buckled elastically. A single cutout, scaled to represent a passenger door on a commercial aircraft, is then machined into one side of each shell. The prebuckling axial stiffnesses and bifurcation buckling loads of the shells with cutouts are also computed using linear finite element structural analyses for initial comparisons with test data. When retested, large deflections were observed around the cutouts, but the shells carried an average of 92 percent of the axial stiffness, and 86 percent of the buckling loads, of the shells without cutouts. These relatively small reductions in performance demonstrate the potential for using tow steering to mitigate the adverse effects of typical design features on the overall structural performance.

Charge and spin control of ultrafast electron and hole dynamics in single CdSe/ZnSe quantum dots

NASA Astrophysics Data System (ADS)

Hinz, C.; Gumbsheimer, P.; Traum, C.; Holtkemper, M.; Bauer, B.; Haase, J.; Mahapatra, S.; Frey, A.; Brunner, K.; Reiter, D. E.; Kuhn, T.; Seletskiy, D. V.; Leitenstorfer, A.

2018-01-01

We study the dynamics of photoexcited electrons and holes in single negatively charged CdSe/ZnSe quantum dots with two-color femtosecond pump-probe spectroscopy. An initial characterization of the energy level structure is performed at low temperatures and magnetic fields of up to 5 T. Emission and absorption resonances are assigned to specific transitions between few-fermion states by a theoretical model based on a configuration interaction approach. To analyze the dynamics of individual charge carriers, we initialize the quantum system into excited trion states with defined energy and spin. Subsequently, the time-dependent occupation of the trion ground state is monitored by spectrally resolved differential transmission measurements. We observe subpicosecond dynamics for a hole excited to the D shell. The energy dependence of this D -to-S shell intraband transition is investigated in quantum dots of varying size. Excitation of an electron-hole pair in the respective p shells leads to the formation of singlet and triplet spin configurations. Relaxation of the p -shell singlet is observed to occur on a time scale of a few picoseconds. Pumping of p -shell triplet transitions opens up two pathways with distinctly different scattering times. These processes are shown to be governed by the mixing of singlet and triplet states due to exchange interactions enabling simultaneous electron and hole spin flips. To isolate the relaxation channels, we align the spin of the residual electron by a magnetic field and employ laser pulses of defined helicity. This step provides ultrafast preparation of a fully inverted trion ground state of the quantum dot with near unity probability, enabling deterministic addition of a single photon to the probe pulse. Therefore our experiments represent a significant step towards using single quantum emitters with well-controled inversion to manipulate the photon statistics of ultrafast light pulses.

High resolution thickness measurements of ultrathin Si:P monolayers using weak localization

NASA Astrophysics Data System (ADS)

Hagmann, Joseph A.; Wang, Xiqiao; Namboodiri, Pradeep; Wyrick, Jonathan; Murray, Roy; Stewart, M. D.; Silver, Richard M.; Richter, Curt A.

2018-01-01

The key building blocks for the fabrication of devices based on the deterministic placement of dopants in silicon using scanning tunneling microscopy (STM) hydrogen lithography are the formation of well-defined dopant delta-layers and the overgrowth of high quality crystalline Si. To develop these capabilities, it is of critical importance to quantify dopant movement in the sub-nanometer regime. To this end, we investigate Si:P delta-layer samples produced by fully exposing a Si surface to PH3 prior to Si encapsulation with dramatically different levels of dopant confinement. We examine the effect of delta layer confinement on the weak localization signal in parallel and perpendicular magnetic fields and extract the delta-layer thickness from fits to the Hikami-Larkin-Nagaoka equation. We find good agreement with secondary ion mass spectroscopy measurements and demonstrate the applicability of this method in the sub-nanometer thickness regime. Our analysis serves as detailed instruction for the determination of the conducting layer thickness of a Si:P delta-layer by means of a high-throughput, nondestructive electrical transport measurement.

Scanning transmission electron microscopy and its application to the study of nanoparticles and nanoparticle systems.

PubMed

Liu, Jingyue

2005-06-01

Scanning transmission electron microscopy (STEM) techniques can provide imaging, diffraction and spectroscopic information, either simultaneously or in a serial manner, of the specimen with an atomic or a sub-nanometer spatial resolution. High-resolution STEM imaging, when combined with nanodiffraction, atomic resolution electron energy-loss spectroscopy and nanometer resolution X-ray energy dispersive spectroscopy techniques, is critical to the fundamental studies of importance to nanoscience and nanotechnology. The availability of sub-nanometer or sub-angstrom electron probes in a STEM instrument, due to the use of a field emission gun and aberration correctors, ensures the greatest capabilities for studies of sizes, shapes, defects, crystal and surface structures, and compositions and electronic states of nanometer-size regions of thin films, nanoparticles and nanoparticle systems. The various imaging, diffraction and spectroscopy modes available in a dedicated STEM or a field emission TEM/STEM instrument are reviewed and the application of these techniques to the study of nanoparticles and nanostructured catalysts is used as an example to illustrate the critical role of the various STEM techniques in nanotechnology and nanoscience research.

Porosity control in nanoporous carbide-derived carbon by oxidation in air and carbon dioxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osswald, S.; Portet, C.; Gogotsi, Y., E-mail: gogotsi@drexel.ed

2009-07-15

Carbide-derived carbons (CDC) allow a precise control over the pore size through the selection of the carbide precursor and varying of the synthesis conditions. However, their pore volume is limited by the carbide stoichiometry. While activation of carbons derived from various organic precursors has been widely studied, this process may similarly be able to increase the pore volume and specific surface area of CDC. Oxidation of carbide-derived carbon in air and CO{sub 2} at different temperatures and times allows for significant increase in pore volume and specific surface area as well as control over average pore size with subnanometer accuracy.more » The effect of activation and associated changes in the pore volume and surface area on the hydrogen uptake are also discussed. - Graphical abstract: Carbide-derived carbons (CDC) provide great potential for sorption of toxicants and gas storage applications. Activation of CDC in air and CO{sub 2} at different temperatures and times is applied in order to maximize pore volume and specific surface area, and control the average pore size with subnanometer accuracy.« less

Optical fiber bundle displacement sensor using an ac-modulated light source with subnanometer resolution and low thermal drift

NASA Astrophysics Data System (ADS)

Shimamoto, Atsushi; Tanaka, Kohichi

1995-09-01

An optical fiber bundle displacement sensor with subnanometer order resolution and low thermal drift is proposed. The setup is based on a carrier amplifier system and involves techniques to eliminate fluctuation in the light power of the source. The achieved noise level of the sensor was 0.03 nm/ \\radical Hz \\end-radical . The stability was estimated by comparing the outputs of two different sensors from the same target for 4 ks (67 min). The relative displacements between the fiber bundle ends of the two sensors and the target surface varied in the area of 400 nm depending on the ambient temperature variation at 2 deg C. However, the difference in output between the two sensor systems is within 2 nm for more than 1 hour of measurement. It is expected that it would be reduced to within the area of 0.1 nm if the ambient temperature were controlled to within +/-0.1 deg C. It is concluded that the stability of the sensors is sufficiently good to be used with nanotechnological instruments.

Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface

PubMed Central

Thersleff, Thomas; Muto, Shunsuke; Werwiński, Mirosław; Spiegelberg, Jakob; Kvashnin, Yaroslav; Hjӧrvarsson, Björgvin; Eriksson, Olle; Rusz, Ján; Leifer, Klaus

2017-01-01

While the performance of magnetic tunnel junctions based on metal/oxide interfaces is determined by hybridization, charge transfer, and magnetic properties at the interface, there are currently only limited experimental techniques with sufficient spatial resolution to directly observe these effects simultaneously in real-space. In this letter, we demonstrate an experimental method based on Electron Magnetic Circular Dichroism (EMCD) that will allow researchers to simultaneously map magnetic transitions and valency in real-space over interfacial cross-sections with sub-nanometer spatial resolution. We apply this method to an Fe/MgO bilayer system, observing a significant enhancement in the orbital to spin moment ratio that is strongly localized to the interfacial region. Through the use of first-principles calculations, multivariate statistical analysis, and Electron Energy-Loss Spectroscopy (EELS), we explore the extent to which this enhancement can be attributed to emergent magnetism due to structural confinement at the interface. We conclude that this method has the potential to directly visualize spin and orbital moments at buried interfaces in magnetic systems with unprecedented spatial resolution. PMID:28338011

Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface

NASA Astrophysics Data System (ADS)

Thersleff, Thomas; Muto, Shunsuke; Werwiński, Mirosław; Spiegelberg, Jakob; Kvashnin, Yaroslav; Hjӧrvarsson, Björgvin; Eriksson, Olle; Rusz, Ján; Leifer, Klaus

2017-03-01

While the performance of magnetic tunnel junctions based on metal/oxide interfaces is determined by hybridization, charge transfer, and magnetic properties at the interface, there are currently only limited experimental techniques with sufficient spatial resolution to directly observe these effects simultaneously in real-space. In this letter, we demonstrate an experimental method based on Electron Magnetic Circular Dichroism (EMCD) that will allow researchers to simultaneously map magnetic transitions and valency in real-space over interfacial cross-sections with sub-nanometer spatial resolution. We apply this method to an Fe/MgO bilayer system, observing a significant enhancement in the orbital to spin moment ratio that is strongly localized to the interfacial region. Through the use of first-principles calculations, multivariate statistical analysis, and Electron Energy-Loss Spectroscopy (EELS), we explore the extent to which this enhancement can be attributed to emergent magnetism due to structural confinement at the interface. We conclude that this method has the potential to directly visualize spin and orbital moments at buried interfaces in magnetic systems with unprecedented spatial resolution.

Direct Observation of Interfacial Dzyaloshinskii-Moriya Interaction from Asymmetric Spin-wave Propagation in W/CoFeB/SiO2 Heterostructures Down to Sub-nanometer CoFeB Thickness

PubMed Central

Chaurasiya, Avinash Kumar; Banerjee, Chandrima; Pan, Santanu; Sahoo, Sourav; Choudhury, Samiran; Sinha, Jaivardhan; Barman, Anjan

2016-01-01

Interfacial Dzyaloshinskii-Moriya interaction (IDMI) is important for its roles in stabilizing the skyrmionic lattice as well as soliton-like domain wall motion leading towards new generation spintronic devices. However, achievement and detection of IDMI is often hindered by various spurious effects. Here, we demonstrate the occurrence of IDMI originating primarily from W/CoFeB interface in technologically important W/CoFeB/SiO2 heterostructures using Brillouin light scattering technique. Due to the presence of IDMI, we observe asymmetry in the peak frequency and linewidth of the spin-wave spectra in the Damon-Eshbach (DE) geometry at finite k wave-vectors. The DMI constant is found to scale as the inverse of CoFeB thickness, over the whole studied thickness range, confirming the presence of IDMI in our system without any extrinsic effects. Importantly, the W/CoFeB interface shows no degradation down to sub-nanometer CoFeB thickness, which would be useful for devices that aim to use pronounced interface effects. PMID:27586260

Shell-Dependent Photoluminescence Studies Provide Mechanistic Insights into the Off-Grey-On Transitions of Blinking Quantum Dots.

PubMed

Gao, Feng; Bajwa, Pooja; Nguyen, Anh; Heyes, Colin D

2017-03-28

The majority of quantum dot (QD) blinking studies have used a model of switching between two distinct fluorescence intensity levels, "on" and "off". However, a distinct intermediate intensity level has been identified in some recent reports, a so-called "grey" or "dim" state, which has brought this binary model into question. While this grey state has been proposed to result from the formation of a trion, it is still unclear under which conditions it is present in a QD. By performing shell-dependent blinking studies on CdSe QDs, we report that the populations of the grey state and the on state are strongly dependent on both the shell material and its thickness. We found that adding a ZnS shell did not result in a significant population of the grey state. Using ZnSe as the shell material resulted in a slightly higher population of the grey state, although it was still poorly resolved. However, adding a CdS shell resulted in the population of a grey state, which depended strongly on its thickness up to 5 ML. Interestingly, while the frequency of transitions to and from the grey state showed a very strong dependence on CdS shell thickness, the brightness of and the dwell time in the grey state did not. Moreover, we found that the grey state acts as an on-pathway intermediate state between on and off states, with the thickness of the shell determining the transition probability between them. We also identified two types of blinking behavior in QDs, one that showed long-lived but lower intensity on states and another that showed short-lived but brighter on states that also depended on the shell thickness. Intensity-resolved single QD fluorescence lifetime analysis was used to identify the relationship between the various exciton decay pathways and the resulting intensity levels. We used this data to propose a model in which multiple on, grey, and off states exist whose equilibrium populations vary with time that give rise to the various intensity levels of single QDs and which depends on shell composition and thickness.

Probing conformational dynamics by photoinduced electron transfer

NASA Astrophysics Data System (ADS)

Neuweiler, Hannes; Herten, Dirk P.; Marme, N.; Knemeyer, J. P.; Piestert, Oliver; Tinnefeld, Philip; Sauer, Marcus

2004-07-01

We demonstrate how photoinduced electron transfer (PET) reactions can be successfully applied to monitor conformational dynamics in individual biopolymers. Single-pair fluorescence resonance energy transfer (FRET) experiments are ideally suited to study conformational dynamics occurring on the nanometer scale, e.g. during protein folding or unfolding. In contrast, conformational dynamics with functional significance, for example occurring in enzymes at work, often appear on much smaller spatial scales of up to several Angströms. Our results demonstrate that selective PET-reactions between fluorophores and amino acids or DNA nucleotides represent a versatile tool to measure small-scale conformational dynamics in biopolymers on a wide range of time scales, extending from nanoseconds to seconds, at the single-molecule level under equilibrium conditions. That is, the monitoring of conformational dynamics of biopolymers with temporal resolutions comparable to those within reach using new techniques of molecular dynamic simulations. We present data about structural changes of single biomolecules like DNA hairpins and peptides by using quenching electron transfer reactions between guanosine or tryptophan residues in close proximity to fluorescent dyes. Furthermore, we demonstrate that the strong distance dependence of charge separation reactions on the sub-nanometer scale can be used to develop conformationally flexible PET-biosensors. These sensors enable the detection of specific target molecules in the sub-picomolar range and allow one to follow their molecular binding dynamics with temporal resolution.

High-temperature stability of the hydrate shell of a Na+ cation in a flat nanopore with hydrophobic walls

NASA Astrophysics Data System (ADS)

Shevkunov, S. V.

2017-11-01

The effect of elevated temperature has on the hydrate shell of a singly charged sodium cation inside a flat nanopore with smooth walls is studied using the Monte Carlo method. The free energy and the entropy of vapor molecule attachment are calculated by means of a bicanonical statistical ensemble using a detailed model of interactions. The nanopore has a stabilizing effect on the hydrate shell with respect to fluctuations and a destabilizing effect with respect to complete evaporation. At the boiling point of water, behavior is observed that is qualitatively similar to behavior at room temperature, but with a substantial shift in the vapor pressure and shell size.

Multishell Au/Ag/SiO 2 nanorods with tunable optical properties as single particle orientation and rotational tracking probes

DOE PAGES

Chen, Kuangcai; Lin, Chia -Cheng; Vela, Javier; ...

2015-04-07

In this study, three-layer core–shell plasmonic nanorods (Au/Ag/SiO 2–NRs), consisting of a gold nanorod core, a thin silver shell, and a thin silica layer, were synthesized and used as optical imaging probes under a differential interference contrast microscope for single particle orientation and rotational tracking. The localized surface plasmon resonance modes were enhanced upon the addition of the silver shell, and the anisotropic optical properties of gold nanorods were maintained. The silica coating enables surface functionalization with silane coupling agents and provides enhanced stability and biocompatibility. Taking advantage of the longitudinal LSPR enhancement, the orientation and rotational information of themore » hybrid nanorods on synthetic lipid bilayers and on live cell membranes were obtained with millisecond temporal resolution using a scientific complementary metal-oxide-semiconductor camera. The results demonstrate that the as-synthesized hybrid nanorods are promising imaging probes with improved sensitivity and good biocompatibility for single plasmonic particle tracking experiments in biological systems.« less

Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

DOE PAGES

Li, Xuanxuan; Spence, John C. H.; Hogue, Brenda G.; ...

2017-09-22

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherentmore » diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.« less

Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xuanxuan; Spence, John C. H.; Hogue, Brenda G.

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherentmore » diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.« less

Single-fabrication-step Ge nanosphere/SiO2/SiGe heterostructures: a key enabler for realizing Ge MOS devices

NASA Astrophysics Data System (ADS)

Liao, P. H.; Peng, K. P.; Lin, H. C.; George, T.; Li, P. W.

2018-05-01

We report channel and strain engineering of self-organized, gate-stacking heterostructures comprising Ge-nanosphere gate/SiO2/SiGe-channels. An exquisitely-controlled dynamic balance between the concentrations of oxygen, Si, and Ge interstitials was effectively exploited to simultaneously create these heterostructures in a single oxidation step. Process-controlled tunability of the channel length (5–95 nm diameters for the Ge-nanospheres), gate oxide thickness (2.5–4.8 nm), as well as crystal orientation, chemical composition and strain engineering of the SiGe-channel was achieved. Single-crystalline (100) Si1‑x Ge x shells with Ge content as high as x = 0.85 and with a compressive strain of 3%, as well as (110) Si1‑x Ge x shells with Ge content of x = 0.35 and corresponding compressive strain of 1.5% were achieved. For each crystal orientation, our high Ge-content, highly-stressed SiGe shells feature a high degree of crystallinity and thus, provide a core ‘building block’ required for the fabrication of Ge-based MOS devices.

Single-fabrication-step Ge nanosphere/SiO2/SiGe heterostructures: a key enabler for realizing Ge MOS devices.

PubMed

Liao, P H; Peng, K P; Lin, H C; George, T; Li, P W

2018-05-18

We report channel and strain engineering of self-organized, gate-stacking heterostructures comprising Ge-nanosphere gate/SiO 2 /SiGe-channels. An exquisitely-controlled dynamic balance between the concentrations of oxygen, Si, and Ge interstitials was effectively exploited to simultaneously create these heterostructures in a single oxidation step. Process-controlled tunability of the channel length (5-95 nm diameters for the Ge-nanospheres), gate oxide thickness (2.5-4.8 nm), as well as crystal orientation, chemical composition and strain engineering of the SiGe-channel was achieved. Single-crystalline (100) Si 1-x Ge x shells with Ge content as high as x = 0.85 and with a compressive strain of 3%, as well as (110) Si 1-x Ge x shells with Ge content of x = 0.35 and corresponding compressive strain of 1.5% were achieved. For each crystal orientation, our high Ge-content, highly-stressed SiGe shells feature a high degree of crystallinity and thus, provide a core 'building block' required for the fabrication of Ge-based MOS devices.

In vivo magnetic resonance and fluorescence dual imaging of tumor sites by using dye-doped silica-coated iron oxide nanoparticles

NASA Astrophysics Data System (ADS)

Jang, Haeyun; Lee, Chaedong; Nam, Gi-Eun; Quan, Bo; Choi, Hyuck Jae; Yoo, Jung Sun; Piao, Yuanzhe

2016-02-01

The difficulty in delineating tumor is a major obstacle for better outcomes in cancer treatment of patients. The use of single-imaging modality is often limited by inadequate sensitivity and resolution. Here, we present the synthesis and the use of monodisperse iron oxide nanoparticles coated with fluorescent silica nano-shells for fluorescence and magnetic resonance dual imaging of tumor. The as-synthesized core-shell nanoparticles were designed to improve the accuracy of diagnosis via simultaneous tumor imaging with dual imaging modalities by a single injection of contrast agent. The iron oxide nanocrystals ( 11 nm) were coated with Rhodamine B isothiocyanate-doped silica shells via reverse microemulsion method. Then, the core-shell nanoparticles ( 54 nm) were analyzed to confirm their size distribution by transmission electron microscopy and dynamic laser scattering. Photoluminescence spectroscopy was used to characterize the fluorescent property of the dye-doped silica shell-coated nanoparticles. The cellular compatibility of the as-prepared nanoparticles was confirmed by a trypan blue dye exclusion assay and the potential as a dual-imaging contrast agent was verified by in vivo fluorescence and magnetic resonance imaging. The experimental results show that the uniform-sized core-shell nanoparticles are highly water dispersible and the cellular toxicity of the nanoparticles is negligible. In vivo fluorescence imaging demonstrates the capability of the developed nanoparticles to selectively target tumors by the enhanced permeability and retention effects and ex vivo tissue analysis was corroborated this. Through in vitro phantom test, the core/shell nanoparticles showed a T2 relaxation time comparable to Feridex® with smaller size, indicating that the as-made nanoparticles are suitable for imaging tumor. This new dual-modality-nanoparticle approach has promised for enabling more accurate tumor imaging.

Tailored Core Shell Cathode Powders for Solid Oxide Fuel Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swartz, Scott

2015-03-23

In this Phase I SBIR project, a “core-shell” composite cathode approach was evaluated for improving SOFC performance and reducing degradation of lanthanum strontium cobalt ferrite (LSCF) cathode materials, following previous successful demonstrations of infiltration approaches for achieving the same goals. The intent was to establish core-shell cathode powders that enabled high performance to be obtained with “drop-in” process capability for SOFC manufacturing (i.e., rather than adding an infiltration step to the SOFC manufacturing process). Milling, precipitation and hetero-coagulation methods were evaluated for making core-shell composite cathode powders comprised of coarse LSCF “core” particles and nanoscale “shell” particles of lanthanum strontiummore » manganite (LSM) or praseodymium strontium manganite (PSM). Precipitation and hetero-coagulation methods were successful for obtaining the targeted core-shell morphology, although perfect coverage of the LSCF core particles by the LSM and PSM particles was not obtained. Electrochemical characterization of core-shell cathode powders and conventional (baseline) cathode powders was performed via electrochemical impedance spectroscopy (EIS) half-cell measurements and single-cell SOFC testing. Reliable EIS testing methods were established, which enabled comparative area-specific resistance measurements to be obtained. A single-cell SOFC testing approach also was established that enabled cathode resistance to be separated from overall cell resistance, and for cathode degradation to be separated from overall cell degradation. The results of these EIS and SOFC tests conclusively determined that the core-shell cathode powders resulted in significant lowering of performance, compared to the baseline cathodes. Based on the results of this project, it was concluded that the core-shell cathode approach did not warrant further investigation.« less

The effect of the morphology of supported subnanometer Pt clusters on the first and key step of CO 2 photoreduction [Morphology effect of supported subnanometer Pt clusters on first and key step of CO 2 photoreduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Chi -Ta; Wood, Brandon C.; Bhethanabotla, Venkat R.

2015-09-04

In this study, using density functional theory calculations, we investigate the influence of size-dependent cluster morphology on the synergistic catalytic properties of anatase TiO 2(101) surfaces decorated with subnanometer Pt clusters. Focusing on the formation of the key precursor in the CO 2 photoreduction reaction (bent CO 2 –), we find that flatter (2D-like) Pt clusters that “wet” the TiO 2 surface offer significantly less benefit than 3D-like Pt clusters. We attribute the differences to three factors. First, the 3D clusters provide a greater number of accessible Pt–TiO 2 interfacial sites with geometries that can aid CO 2 bond bendingmore » and charge transfer processes. Second, binding competition among each Pt–CO 2 bonding interaction mitigates maximum orbital overlaps, leading to insufficient CO 2 binding. Third and also most interestingly, the 3D clusters tend to possess higher structural fluxionality than the flatter clusters, which is shown to correlate positively with CO2 binding strength. The preferred morphology adopted by the clusters depends on several factors, including the cluster size and the presence of oxygen vacancies on the TiO 2 surface; this suggests a strategy for optimizing the synergistic effect between Pt clusters and TiO 2 surfaces for CO 2 photocatalysis. Clusters of ~6–8 atoms should provide the largest benefit, since they retain the desired 3D morphology, yet are small enough to exhibit high structural fluxionality. Electronic structure analysis provides additional insight into the electronic motivations for the enhanced binding of CO 2 on TiO 2-supported 3D Pt clusters, as well as suppressed binding on flattened, 2D-like clusters.« less

Reaction Mechanism for Direct Propylene Epoxidation by Alumina-Supported Silver Aggregates. The Role of the Particle / Support Interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Lei; Yin, Chunrong; Mehmood, Faisal

2013-11-21

Sub-nanometer Ag aggregates on alumina supports have been found to be active toward direct propylene epoxidation to propylene oxide by molecular oxygen at low temperatures, with a negligible amount of carbon dioxide formation (Science 328, p. 224, 2010). In this work, we computationally and experimentally investigate the origin of the high reactivity of the sub-nanometer Ag aggregates. Computationally, we study O 2 dissociation and propylene epoxidation on unsupported Ag 19 and Ag 20 clusters, as well as alumina-supported Ag 19. The O 2 dissociation and propylene epoxidation apparent barriers at the interface between the Ag aggregate and the alumina supportmore » are calculated to be 0.2 and 0.2~0.4 eV, respectively. These barriers are somewhat lower than those on sites away from the interface. The mechanism at the interface is similar to what was previously found for the silver trimer on alumina and can account for the high activity observed for the direct oxidation of propylene on the Ag aggregates. The barriers for oxygen dissociation on these model systems both at the interface and on the surfaces are small compared to crystalline surfaces, indicating that availability of oxygen will not be a rate limiting step for the aggregates, as in the case of the crystalline surfaces. Experimentally, we investigate Ultrananocrystalline Diamond (UNCD)-supported silver aggregates under reactive conditions of propylene partial oxidation. The UNCD-supported Ag clusters are found to be not measurably active toward propylene oxidation, in contrast to the alumina supported Ag clusters. This suggests that the lack of metal-oxide interfacial sites of the Ag-UNCD catalyst, limits the epoxidation catalytic activity. This combined computational and experimental study shows the importance of the metal-oxide interface as well as the non-crystalline nature of the alumina-supported sub-nanometer Ag aggregate catalysts for propylene epoxidation.« less

Subwavelength core/shell cylindrical nanostructures for novel plasmonic and metamaterial devices

NASA Astrophysics Data System (ADS)

Kim, Kyoung-Ho; No, You-Shin

2017-12-01

In this review, we introduce novel plasmonic and metamaterial devices based on one-dimensional subwavelength nanostructures with cylindrical symmetry. Individual single devices with semiconductor/metal core/shell or dielectric/metal core/multi-shell structures experience strong light-matter interaction and yield unique optical properties with a variety of functions, e.g., invisibility cloaking, super-scattering/super-absorption, enhanced luminescence and nonlinear optical activities, and deep subwavelength-scale optical waveguiding. We describe the rational design of core/shell cylindrical nanostructures and the proper choice of appropriate constituent materials, which allow the efficient manipulation of electromagnetic waves and help to overcome the limitations of conventional homogeneous nanostructures. The recent developments of bottom-up synthesis combined with the top-down fabrication technologies for the practical applications and the experimental realizations of 1D subwavelength core/shell nanostructure devices are briefly discussed.

High throughput chemical munitions treatment system

DOEpatents

Haroldsen, Brent L [Manteca, CA; Stofleth, Jerome H [Albuquerque, NM; Didlake, Jr., John E.; Wu, Benjamin C-P [San Ramon, CA

2011-11-01

A new High-Throughput Explosive Destruction System is disclosed. The new system is comprised of two side-by-side detonation containment vessels each comprising first and second halves that feed into a single agent treatment vessel. Both detonation containment vessels further comprise a surrounding ventilation facility. Moreover, the detonation containment vessels are designed to separate into two half-shells, wherein one shell can be moved axially away from the fixed, second half for ease of access and loading. The vessels are closed by means of a surrounding, clam-shell type locking seal mechanisms.

Ocean acidification alters the material properties of Mytilus edulis shells.

PubMed

Fitzer, Susan C; Zhu, Wenzhong; Tanner, K Elizabeth; Phoenix, Vernon R; Kamenos, Nicholas A; Cusack, Maggie

2015-02-06

Ocean acidification (OA) and the resultant changing carbonate saturation states is threatening the formation of calcium carbonate shells and exoskeletons of marine organisms. The production of biominerals in such organisms relies on the availability of carbonate and the ability of the organism to biomineralize in changing environments. To understand how biomineralizers will respond to OA the common blue mussel, Mytilus edulis, was cultured at projected levels of pCO2 (380, 550, 750, 1000 µatm) and increased temperatures (ambient, ambient plus 2°C). Nanoindentation (a single mussel shell) and microhardness testing were used to assess the material properties of the shells. Young's modulus (E), hardness (H) and toughness (KIC) were measured in mussel shells grown in multiple stressor conditions. OA caused mussels to produce shell calcite that is stiffer (higher modulus of elasticity) and harder than shells grown in control conditions. The outer shell (calcite) is more brittle in OA conditions while the inner shell (aragonite) is softer and less stiff in shells grown under OA conditions. Combining increasing ocean pCO2 and temperatures as projected for future global ocean appears to reduce the impact of increasing pCO2 on the material properties of the mussel shell. OA may cause changes in shell material properties that could prove problematic under predation scenarios for the mussels; however, this may be partially mitigated by increasing temperature. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Soft chemical synthesis of silicon nanosheets and their applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakano, Hideyuki; Ikuno, Takashi

2016-12-15

Two-dimensional silicon nanomaterials are expected to show different properties from those of bulk silicon materials by virtue of surface functionalization and quantum size effects. Since facile fabrication processes of large area silicon nanosheets (SiNSs) are required for practical applications, a development of soft chemical synthesis route without using conventional vacuum processes is a challenging issue. We have recently succeeded to prepare SiNSs with sub-nanometer thicknesses by exfoliating layered silicon compounds, and they are found to be composed of crystalline single-atom-thick silicon layers. In this review, we present the synthesis and modification methods of SiNSs. These SiNSs have atomically flat andmore » smooth surfaces due to dense coverage of organic moieties, and they are easily self-assembled in a concentrated state to form a regularly stacked structure. We have also characterized the electron transport properties and the electronic structures of SiNSs. Finally, the potential applications of these SiNSs and organic modified SiNSs are also reviewed.« less

SERS-Active Nanoinjector for Intracellular Spectroscopy

NASA Astrophysics Data System (ADS)

Vitol, Elina; Orynbayeva, Zulfiya; Bouchard, Michael; Azizkhan-Clifford, Jane; Friedman, Gary; Gogotsi, Yury

2009-03-01

We developed a multifunctional nanopipette which allows simultaneous cell injection and intacellular surface-enhanced Raman spectroscopy (SERS) analysis. SERS spectra contain the characteristic frequencies of molecular bond vibrations. This is a unique method for studying cell biochemistry and physiology on a single organelle level. Unlike the fluorescence spectroscopy, it does not require any specific staining. The principle of SERS is based on very large electromagnetic field enhancement localized around a nano-rough metallic surface. Gold colloids are widely used SERS substrates. Previously, the colloidal nanoparticles were introduced into a cell by the mechanism of endocytosis. The disadvantage of this method is the uncontrollable aggregation and distribution of gold nanoparticles inside a cell which causes a significant uncertainty in the origin of the acquired data. At the same time, the nanoparticle uptake is irreversible. We present a SERS-active nanoinjector, coated with gold nanoparticles, which enables selective signal acquisition from any point-of-interest inside a cell. The nanoinjector provides a highly localized SERS signal with sub-nanometer resolution in real time.

Proximity effect on hydrodynamic interaction between a sphere and a plane measured by force feedback microscopy at different frequencies

NASA Astrophysics Data System (ADS)

Carpentier, Simon; Rodrigues, Mario S.; Charlaix, Elisabeth; Chevrier, Joël

2015-07-01

In this article, we measure the viscous damping G″, and the associated stiffness G', of a liquid flow in sphere-plane geometry over a large frequency range. In this regime, the lubrication approximation is expected to dominate. We first measure the static force applied to the tip. This is made possible thanks to a force feedback method. Adding a sub-nanometer oscillation of the tip, we obtain the dynamic part of the interaction with solely the knowledge of the lever properties in the experimental context using a linear transformation of the amplitude and phase change. Using a Force Feedback Microscope (FFM), we are then able to measure simultaneously the static force, the stiffness, and the dissipative part of the interaction in a broad frequency range using a single AFM probe. Similar measurements have been performed by the Surface Force Apparatus (SFA) with a probe radius hundred times bigger. In this context, the FFM can be called nano-SFA.

A PDMS microfiber Mach-Zehnder interferometer and determination of nanometer displacements

NASA Astrophysics Data System (ADS)

Martincek, Ivan; Kacik, Daniel

2018-01-01

A polydimethylsiloxane (PDMS) microfiber Mach-Zehnder interferometer (MZI), integrated between single-mode optical fibers (SMFs), is proposed and demonstrated experimentally. One arm of the interferometer consists of a microfiber of diameter 7 μm and length 270 μm; the second is an air arm. Due to the good elastic properties of PDMS microfiber, the length of the air arm of MZI can be changed by changing the distance between SMFs. The change in length of the air arm results in a change in the transmission characteristics of the MZI; thus, the relative displacement can be measured in the range 10-250 nm. By measuring the peak-to-peak amplitude of the difference in transmission powers (in dB), the smallest displacement by prepared MZI was determined as being on the order of a few nm for a ratio of intensities of 0.135. For a higher ratio of intensities of transmission functions, the smallest displacement could be determined on the order of subnanometers.

Helium Ion Beam Microscopy for Copper Grain Identification in BEOL Structures

NASA Astrophysics Data System (ADS)

van den Boom, Ruud J. J.; Parvaneh, Hamed; Voci, Dave; Huynh, Chuong; Stern, Lewis; Dunn, Kathleen A.; Lifshin, Eric

2009-09-01

Grain size determination in advanced metallization structures requires a technique with resolution ˜2 nm, with a high signal-to-noise ratio and high orientation-dependant contrast for unambiguous identification of grain boundaries. Ideally, such a technique would also be capable of high-throughput and rapid time-to-knowledge. The Helium Ion Microscope (HIM) offers one possibility for achieving these aims in a single platform. This article compares the performance of the HIM with Focused Ion Beam, Scanning Electron and Transmission Electron Microscopes, in terms of achievable image resolution and contrast, using plan-view and cross-sectional imaging of electroplated samples. Although the HIM is capable of sub-nanometer beam diameter, the low signal-to-noise ratio in the images necessitates signal averaging, which degrades the measured image resolution to 6-8 nm. Strategies for improving S/N are discussed in light of the trade-off between beam current and probe size, accelerating voltage, and dwell time.

Functional Annotation of Ion Channel Structures by Molecular Simulation.

PubMed

Trick, Jemma L; Chelvaniththilan, Sivapalan; Klesse, Gianni; Aryal, Prafulla; Wallace, E Jayne; Tucker, Stephen J; Sansom, Mark S P

2016-12-06

Ion channels play key roles in cell membranes, and recent advances are yielding an increasing number of structures. However, their functional relevance is often unclear and better tools are required for their functional annotation. In sub-nanometer pores such as ion channels, hydrophobic gating has been shown to promote dewetting to produce a functionally closed (i.e., non-conductive) state. Using the serotonin receptor (5-HT 3 R) structure as an example, we demonstrate the use of molecular dynamics to aid the functional annotation of channel structures via simulation of the behavior of water within the pore. Three increasingly complex simulation analyses are described: water equilibrium densities; single-ion free-energy profiles; and computational electrophysiology. All three approaches correctly predict the 5-HT 3 R crystal structure to represent a functionally closed (i.e., non-conductive) state. We also illustrate the application of water equilibrium density simulations to annotate different conformational states of a glycine receptor. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Contact-free calibration of an asymmetric multi-layer interferometer for the surface force balance

NASA Astrophysics Data System (ADS)

Balabajew, Marco; van Engers, Christian D.; Perkin, Susan

2017-12-01

The Surface Force Balance (SFB, also known as Surface Force Apparatus, SFA) has provided important insights into many phenomena within the field of colloid and interface science. The technique relies on using white light interferometry to measure the distance between surfaces with sub-nanometer resolution. Up until now, the determination of the distance between the surfaces required a so-called "contact calibration," an invasive procedure during which the surfaces are brought into mechanical contact. This requirement for a contact calibration limits the range of experimental systems that can be investigated with SFB, for example, it precludes experiments with substrates that would be irreversibly modified or damaged by mechanical contact. Here we present a non-invasive method to measure absolute distances without performing a contact calibration. The method can be used for both "symmetric" and "asymmetric" systems. We foresee many applications for this general approach including, most immediately, experiments using single layer graphene electrodes in the SFB which may be damaged when brought into mechanical contact.

Helium isotope enrichment by resonant tunneling through nanoporous graphene bilayers.

PubMed

Mandrà, Salvatore; Schrier, Joshua; Ceotto, Michele

2014-08-21

Graphene is impermeable to gases, but introducing subnanometer pores can allow for selective gas separation. Because graphene is only one atom thick, tunneling can play an important role, especially for low-mass gases such as helium, and this has been proposed as a means of separating (3)He from (4)He. In this paper, we consider the possibility of utilizing resonant tunneling of helium isotopes through nanoporous graphene bilayers. Using a model potential fit to previously reported DFT potential energy surfaces, we calculate the thermal rate constant as a function of interlayer separation using a recently described time-independent method for arbitrary multibarrier potentials. Resonant transmission allows for the total flux rate of (3)He to remain the same as the best-known single-barrier pores but doubles the selectivity with respect to (4)He when the optimal interlayer spacing of 4.6 Å is used. The high flux rate and selectivity are robust against variations of the interlayer spacing and asymmetries in the potential that may occur in experiment.

Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

NASA Astrophysics Data System (ADS)

Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.; Ayangeakaa, A. D.; Back, B. B.; Bottoni, S.; Carpenter, M. P.; Chen, J.; Deibel, C. M.; Hood, A. A.; Hoffman, C. R.; Janssens, R. V. F.; Jiang, C. L.; Kay, B. P.; Kuvin, S. A.; Lauer, A.; Schiffer, J. P.; Sethi, J.; Talwar, R.; Wiedenhöver, I.; Winkelbauer, J.; Zhu, S.

2018-03-01

A beam containing a substantial component of both the Jπ=5+ , T1 /2=162 ns isomeric state of F 18 and its 1+, 109.77-min ground state is utilized to study members of the ground-state rotational band in F 19 through the neutron transfer reaction (d ,p ) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13 /2+ band-terminating state. The agreement between shell-model calculations using an interaction constructed within the s d shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

Computer-Aided Thermohydraulic Design of TEMA Type E Shell and Tube Heat Exchangers for Use in Low Pressure, Liquid-to-Liquid, Single Phase Applications.

DTIC Science & Technology

1985-04-01

and Standards .. ... ....... ....... 9 A. General . ... .. .. ... ..... .. .. ... 9 B. ASME Boiler and Pressure Vessel Code .. .. ......9 C. Foreign...several different sources. B. American Society of Mechanial Engineers (ASME) Boiler and Pressure Vessel Code A shell and tube heat exchanger is indeed a

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Kuangcai; Lin, Chia -Cheng; Vela, Javier

In this study, three-layer core–shell plasmonic nanorods (Au/Ag/SiO 2–NRs), consisting of a gold nanorod core, a thin silver shell, and a thin silica layer, were synthesized and used as optical imaging probes under a differential interference contrast microscope for single particle orientation and rotational tracking. The localized surface plasmon resonance modes were enhanced upon the addition of the silver shell, and the anisotropic optical properties of gold nanorods were maintained. The silica coating enables surface functionalization with silane coupling agents and provides enhanced stability and biocompatibility. Taking advantage of the longitudinal LSPR enhancement, the orientation and rotational information of themore » hybrid nanorods on synthetic lipid bilayers and on live cell membranes were obtained with millisecond temporal resolution using a scientific complementary metal-oxide-semiconductor camera. The results demonstrate that the as-synthesized hybrid nanorods are promising imaging probes with improved sensitivity and good biocompatibility for single plasmonic particle tracking experiments in biological systems.« less

Fully localized post-buckling states of cylindrical shells under axial compression

NASA Astrophysics Data System (ADS)

Kreilos, Tobias; Schneider, Tobias M.

2017-09-01

We compute nonlinear force equilibrium solutions for a clamped thin cylindrical shell under axial compression. The equilibrium solutions are dynamically unstable and located on the stability boundary of the unbuckled state. A fully localized single dimple deformation is identified as the edge state-the attractor for the dynamics restricted to the stability boundary. Under variation of the axial load, the single dimple undergoes homoclinic snaking in the azimuthal direction, creating states with multiple dimples arranged around the central circumference. Once the circumference is completely filled with a ring of dimples, snaking in the axial direction leads to further growth of the dimple pattern. These fully nonlinear solutions embedded in the stability boundary of the unbuckled state constitute critical shape deformations. The solutions may thus be a step towards explaining when the buckling and subsequent collapse of an axially loaded cylinder shell is triggered.

X-ray absorption spectroscopy of aluminum z-pinch plasma with tungsten backlighter planar wire array source.

PubMed

Osborne, G C; Kantsyrev, V L; Safronova, A S; Esaulov, A A; Weller, M E; Shrestha, I; Shlyaptseva, V V; Ouart, N D

2012-10-01

Absorption features from K-shell aluminum z-pinch plasmas have recently been studied on Zebra, the 1.7 MA pulse power generator at the Nevada Terawatt Facility. In particular, tungsten plasma has been used as a semi-backlighter source in the generation of aluminum K-shell absorption spectra by placing a single Al wire at or near the end of a single planar W array. All spectroscopic experimental results were recorded using a time-integrated, spatially resolved convex potassium hydrogen phthalate (KAP) crystal spectrometer. Other diagnostics used to study these plasmas included x-ray detectors, optical imaging, laser shadowgraphy, and time-gated and time-integrated x-ray pinhole imagers. Through comparisons with previous publications, Al K-shell absorption lines are shown to be from much lower electron temperature (∼10-40 eV) plasmas than emission spectra (∼350-500 eV).

Development and Deployment of the Extended Reach Sluicing System (ERSS) for Retrieval of Hanford Single Shell Tank Waste. Draft

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bauer, Roger E.; Figley, Reed R.; Innes, A. G.

2013-11-11

A history of the evolution and the design development of Extended Reach Sluicer System (ERSS) is presented. Several challenges are described that had to be overcome to create a machine that went beyond the capabilities of prior generation sluicers to mobilize waste in Single Shell Tanks for pumping into Double Shell Tank receiver tanks. Off-the-shelf technology and traditional hydraulic fluid power systems were combined with the custom-engineered components to create the additional functionality of the ERSS, while still enabling it to fit within very tight entry envelope into the SST. Problems and challenges inevitably were encountered and overcome in waysmore » that enhance the state of the art of fluid power applications in such constrained environments. Future enhancements to the ERSS design are explored for retrieval of tanks with different dimensions and internal obstacles.« less

Mapping carrier diffusion in single silicon core-shell nanowires with ultrafast optical microscopy.

PubMed

Seo, M A; Yoo, J; Dayeh, S A; Picraux, S T; Taylor, A J; Prasankumar, R P

2012-12-12

Recent success in the fabrication of axial and radial core-shell heterostructures, composed of one or more layers with different properties, on semiconductor nanowires (NWs) has enabled greater control of NW-based device operation for various applications. (1-3) However, further progress toward significant performance enhancements in a given application is hindered by the limited knowledge of carrier dynamics in these structures. In particular, the strong influence of interfaces between different layers in NWs on transport makes it especially important to understand carrier dynamics in these quasi-one-dimensional systems. Here, we use ultrafast optical microscopy (4) to directly examine carrier relaxation and diffusion in single silicon core-only and Si/SiO(2) core-shell NWs with high temporal and spatial resolution in a noncontact manner. This enables us to reveal strong coherent phonon oscillations and experimentally map electron and hole diffusion currents in individual semiconductor NWs for the first time.

Gaps in nuclear spectra as traces of seniority changes in systems of both neutrons and protons

NASA Astrophysics Data System (ADS)

Zamick, Larry

2016-03-01

There has been a great deal of attention given to the low-lying energy spectrum in a nucleus because of the abundance of experimental data. Likewise, perhaps to a lesser extent but still significant, the high end for a given configuration has been examined. Here, using single j shell calculations as a guide, we examine the middle part of the spectrum resulting from single j shell calculations. Seniority arguments are used to partially explain the midshell behaviors even though in general seniority is not a good quantum number for mixed systems of neutrons and protons.

Single-Enzyme Nanoparticles Armored by a Nanometer-Scale Organic/Inorganic Network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jungbae; Grate, Jay W.

2003-09-01

We have developed armored single-enzyme nanoparticles (SENs), which dramatically stabilize a protease (a-chymotrypsin, CT) by surrounding each enzyme molecule with a porous composite organic/inorganic shell of less than a few nanometers thick. The armored enzymes show no decrease in CT activity at 30C for four days while free CT activity is rapidly reduced by orders of magnitude. The armored shell around CT is sufficiently thin and porous that it does not place any serious mass-transfer limitation on substrates. This unique approach will have a great impact in using enzymes in various fields.

A facile single-step synthesis of ternary multicore magneto-plasmonic nanoparticles.

PubMed

Benelmekki, Maria; Bohra, Murtaza; Kim, Jeong-Hwan; Diaz, Rosa E; Vernieres, Jerome; Grammatikopoulos, Panagiotis; Sowwan, Mukhles

2014-04-07

We report a facile single-step synthesis of ternary hybrid nanoparticles (NPs) composed of multiple dumbbell-like iron-silver (FeAg) cores encapsulated by a silicon (Si) shell using a versatile co-sputter gas-condensation technique. In comparison to previously reported binary magneto-plasmonic NPs, the advantage conferred by a Si shell is to bind the multiple magneto-plasmonic (FeAg) cores together and prevent them from aggregation at the same time. Further, we demonstrate that the size of the NPs and number of cores in each NP can be modulated over a wide range by tuning the experimental parameters.

Construction of self-supported porous TiO2/NiO core/shell nanorod arrays for electrochemical capacitor application

NASA Astrophysics Data System (ADS)

Wu, J. B.; Guo, R. Q.; Huang, X. H.; Lin, Y.

2013-12-01

High-quality metal oxides hetero-structured nanoarrays have been receiving great attention in electrochemical energy storage application. Self-supported TiO2/NiO core/shell nanorod arrays are prepared on carbon cloth via the combination of hydrothermal synthesis and electro-deposition methods. The obtained core/shell nanorods consist of nanorod core and interconnected nanoflake shell, as well as hierarchical porosity. As cathode materials for pseudo-capacitors, the TiO2/NiO core/shell nanorod arrays display impressive electrochemical performances with both high capacitance of 611 F g-1 at 2 A g-1, and pretty good cycling stability with a retention of 89% after 5000 cycles. Besides, as compared to the single NiO nanoflake arrays on carbon cloth, the TiO2/NiO core/shell nanorod arrays exhibit much better electrochemical properties with higher capacitance, better electrochemical activity and cycling life. This enhanced performance is mainly due to the core/shell nanorods architecture offering fast ion/electron transfer and sufficient contact between active materials and electrolyte.

Refined hierarchical kinematics quasi-3D Ritz models for free vibration analysis of doubly curved FGM shells and sandwich shells with FGM core

NASA Astrophysics Data System (ADS)

Fazzolari, Fiorenzo A.; Carrera, Erasmo

2014-02-01

In this paper, the Ritz minimum energy method, based on the use of the Principle of Virtual Displacements (PVD), is combined with refined Equivalent Single Layer (ESL) and Zig Zag (ZZ) shell models hierarchically generated by exploiting the use of Carrera's Unified Formulation (CUF), in order to engender the Hierarchical Trigonometric Ritz Formulation (HTRF). The HTRF is then employed to carry out the free vibration analysis of doubly curved shallow and deep functionally graded material (FGM) shells. The PVD is further used in conjunction with the Gauss theorem to derive the governing differential equations and related natural boundary conditions. Donnell-Mushtari's shallow shell-type equations are given as a particular case. Doubly curved FGM shells and doubly curved sandwich shells made up of isotropic face sheets and FGM core are investigated. The proposed shell models are widely assessed by comparison with the literature results. Two benchmarks are provided and the effects of significant parameters such as stacking sequence, boundary conditions, length-to-thickness ratio, radius-to-length ratio and volume fraction index on the circular frequency parameters and modal displacements are discussed.

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection.

PubMed

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO(2)@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC(3)H(7))(4)] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO(2) shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO(2) coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors. © The Royal Society of Chemistry 2011

Photoelectrodes based on 2D opals assembled from Cu-delafossite double-shelled microspheres for an enhanced photoelectrochemical response.

PubMed

Oh, Yunjung; Yang, Wooseok; Tan, Jeiwan; Lee, Hyungsoo; Park, Jaemin; Moon, Jooho

2018-02-22

Although a unique light-harvesting property was recently demonstrated in a photocathode based on 2-dimensional (2D) opals of CuFeO 2 -shelled SiO 2 microspheres, the performance of a monolayer of ultra-thin CuFeO 2 -shelled microspheres is limited by ineffective charge separation. Herein, we propose an innovative design rule, in which an inner CuFeO 2 /outer CuAlO 2 double-shelled heterojunction is formed on each partially etched microsphere to obtain a hexagonally assembled 2D opal photoelectrode. Our Cu-delafossite double-shelled photocathode shows a dramatically improved charge separation capability, with a 9-fold increase in the photocurrent compared to that of the single-shelled counterpart. Electrochemical impedance spectroscopy clearly confirms the reduced charge transport/transfer resistance associated with the Cu-delafossite double-shelled photocathode, while surface photovoltage spectra reveal enhanced polarization of the photogenerated carrier, indicating improved charge separation capability with the aid of the heterojunction. Our finding sheds light on the importance of heterojunction interfaces in achieving optimal charge separation in opal architectures as well as the inner-shell/electrolyte interface to expedite charge separation/transport.

Development of magnetic luminescent core/shell nanocomplex particles with fluorescence using Rhodamine 6G

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Hee Uk; Song, Yoon Seok; Park, Chulhwan

2012-12-15

Graphical abstract: Display Omitted Highlights: ► A simple method was developed to synthesize Co-B/SiO{sub 2}/dye/SiO{sub 2} composite particles. ► The magnetic particle shows that highly luminescent and core/shell particles are formed. ► Such core/shell particles can be easily suspended in water. ► The magnetic particles could detect fluorescence for the application of biosensor. -- Abstract: A simple and reproducible method was developed to synthesize a novel class of Co-B/SiO{sub 2}/dye/SiO{sub 2} composite core/shell particles. Using a single cobalt core, Rhodamine 6G of organic dye molecules was entrapped in a silica shell, resulting in core/shell particles of ∼200 nm diameter. Analysesmore » using a variety of techniques such as transmission electron microscopy, X-ray photoelectron spectroscopy, vibration sample magnetometry, confocal laser scanning microscopy, and fluorescence intensity demonstrated that dye molecules were trapped inside the core/shell particles. A photoluminescence investigation showed that highly luminescent and photostable core/shell particles were formed. Such core/shell particles can be easily suspended in water. The synthesized magnetic particles could be used to detect fluorescence on glass substrate arrays for bioassay and biosensor applications.« less

A Mixed Multi-Field Finite Element Formulation for Thermopiezoelectric Composite Shells

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun; Saravanos, Dimitris A.

1999-01-01

Analytical formulations are presented which account for the coupled mechanical, electrical, and thermal response of piezoelectric composite shell structures. A new mixed multi-field laminate theory is developed which combines "single layer" assumptions for the displacements along with layerwise fields for the electric potential and temperature. This laminate theory is formulated using curvilinear coordinates and is based on the principles of linear thermopiezoelectricity. The mechanics have the inherent capability to explicitly model both the active and sensory responses of piezoelectric composite shells in thermal environment. Finite element equations are derived and implemented for an eight-noded shell element. Numerical studies are conducted to investigate both the sensory and active responses of piezoelectric composite shell structures subjected to thermal loads. Results for a cantilevered plate with an attached piezoelectric layer are com- pared with corresponding results from a commercial finite element code and a previously developed program. Additional studies are conducted on a cylindrical shell with an attached piezoelectric layer to demonstrate capabilities to achieve thermal shape control on curved piezoelectric structures.

Microcapsules with a pH responsive polymer: influence of the encapsulated oil on the capsule morphology.

PubMed

Wagdare, Nagesh A; Marcelis, Antonius T M; Boom, Remko M; van Rijn, Cees J M

2011-11-01

Microcapsules were prepared by microsieve membrane cross flow emulsification of Eudragit FS 30D/dichloromethane/edible oil mixtures in water, and subsequent phase separation induced by extraction of the dichloromethane through an aqueous phase. For long-chain triglycerides and jojoba oil, core-shell particles were obtained with the oil as core, surrounded by a shell of Eudragit. Medium chain triglyceride (MCT oil) was encapsulated as relatively small droplets in the Eudragit matrix. The morphology of the formed capsules was investigated with optical and SEM microscopy. Extraction of the oil from the core-shell capsules with hexane resulted in hollow Eudragit capsules with porous shells. It was shown that the differences are related to the compatibility of the oils with the shell-forming Eudragit. An oil with poor compatibility yields microcapsules with a dense Eudragit shell on a single oil droplet as the core; oils having better compatibility yield porous Eudragit spheres with several oil droplets trapped inside. Copyright © 2011 Elsevier B.V. All rights reserved.

Thermal annealing dynamics of carbon-coated LiFePO4 nanoparticles studied by in-situ analysis

NASA Astrophysics Data System (ADS)

Krumeich, Frank; Waser, Oliver; Pratsinis, Sotiris E.

2016-10-01

The thermal behavior of core-shell carbon-coated lithium iron phosphate (LiFePO4-C) nanoparticles made by flame spray pyrolysis (FSP) during annealing was investigated by in-situ transmission electron microscopy (TEM), in-situ X-ray powder diffraction (XRD) as well as ex-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Crystallization of the initially glassy LiFePO4-C nanoparticles starts at quite low temperatures (T=400 °C), forming single crystals inside the confinement of the carbon shell. Upon increasing the temperature to T≥700 °C, LiFePO4 starts to diffuse through the carbon shell resulting in cavities inside the mostly intact carbon shell. By increasing the temperature further to T≥800 °C, the initial core-shell morphology converts into open carbon shells (flakes and cenospheres) and bulky LiFePO4 particles (diameter in the range 300-400 nm), in agreement with ex-situ experiments.

Slow-Injection Growth of Seeded CdSe/CdS Nanorods with Unity Fluorescence Quantum Yield and Complete Shell to Core Energy Transfer.

PubMed

Coropceanu, Igor; Rossinelli, Aurelio; Caram, Justin R; Freyria, Francesca S; Bawendi, Moungi G

2016-03-22

A two-step process has been developed for growing the shell of CdSe/CdS core/shell nanorods. The method combines an established fast-injection-based step to create the initial elongated shell with a second slow-injection growth that allows for a systematic variation of the shell thickness while maintaining a high degree of monodispersity at the batch level and enhancing the uniformity at the single-nanorod level. The second growth step resulted in nanorods exhibiting a fluorescence quantum yield up to 100% as well as effectively complete energy transfer from the shell to the core. This improvement suggests that the second step is associated with a strong suppression of the nonradiative channels operating both before and after the thermalization of the exciton. This hypothesis is supported by the suppression of a defect band, ubiquitous to CdSe-based nanocrystals after the second growth.

Elucidation of Two Giants: Challenges to Thick-shell Synthesis in CdSe/ZnSe and ZnSe/CdS Core/Shell Quantum Dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Acharya, Krishna P.; Nguyen, Hue M.; Paulite, Melissa

2015-03-06

Core/thick-shell "giant" quantum dots (gQDs) possessing type II electronic structures exhibit suppressed blinking and diminished nonradiative Auger recombination. Here we investigate CdSe/ZnSe and ZnSe/CdS as potential new gQDs. We show theoretically and experimentally that both can exhibit partial or complete spatial separation of an excited-state electron–hole pair (i.e., type II behavior). However, we reveal that thick-shell growth is challenged by competing processes: alloying and cation exchange. We demonstrate that these can be largely avoided by choice of shelling conditions (e.g., time, temperature, and QD core identity). The resulting CdSe/ZnSe gQDs exhibit unusual single-QD properties, principally emitting from dim gray statesmore » but having high two-exciton (biexciton) emission efficiencies, whereas ZnSe/CdS gQDs show characteristic gQD blinking suppression, though only if shelling is accompanied by partial cation exchange.« less

Double shell planar experiments on OMEGA

NASA Astrophysics Data System (ADS)

Dodd, E. S.; Merritt, E. C.; Palaniyappan, S.; Montgomery, D. S.; Daughton, W. S.; Schmidt, D. W.; Cardenas, T.; Wilson, D. C.; Loomis, E. N.; Batha, S. H.; Ping, Y.; Smalyuk, V. A.; Amendt, P. A.

2017-10-01

The double shell project is aimed at fielding neutron-producing capsules at the National Ignition Facility (NIF), in which an outer low-Z ablator collides with an inner high-Z shell to compress the fuel. However, understanding these targets experimentally can be challenging when compared with conventional single shell targets. Halfraum-driven planar targets at OMEGA are being used to study physics issues important to double shell implosions outside of a convergent geometry. Both VISAR and radiography through a tube have advantages over imaging through the hohlraum and double-shell capsule at NIF. A number physics issues are being studied with this platform that include 1-d and higher dimensional effects such as defect-driven hydrodynamic instabilities from engineering features. Additionally, the use of novel materials with controlled density gradients require study in easily diagnosed 1-d systems. This work ultimately feeds back into the NIF capsule platform through manufacturing tolerances set using data from OMEGA. Supported under the US DOE by the LANS, LLC under contract DE-AC52-06NA25396. LA-UR-17-25386.

Imaging Plasmonic Fields with Atomic Spatiotemporal Resolution

NASA Astrophysics Data System (ADS)

Li, Jianxiong; Saydanzad, Erfan; Thumm, Uwe

2018-06-01

We propose a scheme for the reconstruction of plasmonic near fields at isolated nanoparticles from infrared-streaked extreme-ultraviolet photoemission spectra. Based on quantum-mechanically modeled spectra, we demonstrate and analyze the accurate imaging of the IR-streaking-pulse-induced transient plasmonic fields at the surface of gold nanospheres and nanoshells with subfemtosecond temporal and subnanometer spatial resolution.

Current advances in precious metal core-shell catalyst design.

PubMed

Wang, Xiaohong; He, Beibei; Hu, Zhiyu; Zeng, Zhigang; Han, Sheng

2014-08-01

Precious metal nanoparticles are commonly used as the main active components of various catalysts. Given their high cost, limited quantity, and easy loss of catalytic activity under severe conditions, precious metals should be used in catalysts at low volumes and be protected from damaging environments. Accordingly, reducing the amount of precious metals without compromising their catalytic performance is difficult, particularly under challenging conditions. As multifunctional materials, core-shell nanoparticles are highly important owing to their wide range of applications in chemistry, physics, biology, and environmental areas. Compared with their single-component counterparts and other composites, core-shell nanoparticles offer a new active interface and a potential synergistic effect between the core and shell, making these materials highly attractive in catalytic application. On one hand, when a precious metal is used as the shell material, the catalytic activity can be greatly improved because of the increased surface area and the closed interfacial interaction between the core and the shell. On the other hand, when a precious metal is applied as the core material, the catalytic stability can be remarkably improved because of the protection conferred by the shell material. Therefore, a reasonable design of the core-shell catalyst for target applications must be developed. We summarize the latest advances in the fabrications, properties, and applications of core-shell nanoparticles in this paper. The current research trends of these core-shell catalysts are also highlighted.

Structural Characterization of Advanced Composite Tow-Steered Shells with Large Cutouts

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Turpin, Jason D.; Gardner, Nathaniel W.; Stanford, Bret K.; Martin, Robert A.

2015-01-01

The structural performance of two advanced composite tow-steered shells with large cutouts, manufactured using an automated fiber placement system, is assessed using both experimental and analytical methods. The fiber orientation angles of the shells vary continuously around their circumference from +/- 10 degrees on the crown and keel, to +/- 45 degrees on the sides. The raised surface features on one shell result from application of all 24 tows during each fiber placement system pass, while the second shell uses the tow drop/add capability of the system to achieve a more uniform wall thickness. These unstiffened shells, both without and with small cutouts, were previously tested in axial compression and buckled elastically. In this study, a single unreinforced cutout, scaled to represent a cargo door on a commercial aircraft, is machined into one side of each shell. The prebuckling axial stiffnesses and bifurcation buckling loads of these shells with large cutouts are also computed using linear finite element structural analyses for preliminary comparisons with test data. During testing, large displacements are observed around the large cutouts, but the shells maintain an average of 91 percent of the axial stiffness, and also carry 85 percent of the buckling loads, when compared to the pristine shells without cutouts. These relatively small reductions indicate that there is great potential for using tow steering to mitigate the adverse effects of large cutouts on the overall structural performance.

Chaotic and regular instantons in helical shell models of turbulence

NASA Astrophysics Data System (ADS)

De Pietro, Massimo; Mailybaev, Alexei A.; Biferale, Luca

2017-03-01

Shell models of turbulence have a finite-time blowup in the inviscid limit, i.e., the enstrophy diverges while the single-shell velocities stay finite. The signature of this blowup is represented by self-similar instantonic structures traveling coherently through the inertial range. These solutions might influence the energy transfer and the anomalous scaling properties empirically observed for the forced and viscous models. In this paper we present a study of the instantonic solutions for a set of four shell models of turbulence based on the exact decomposition of the Navier-Stokes equations in helical eigenstates. We find that depending on the helical structure of each model, instantons are chaotic or regular. Some instantonic solutions tend to recover mirror symmetry for scales small enough. Models that have anomalous scaling develop regular nonchaotic instantons. Conversely, models that have nonanomalous scaling in the stationary regime are those that have chaotic instantons. The direction of the energy carried by each single instanton tends to coincide with the direction of the energy cascade in the stationary regime. Finally, we find that whenever the small-scale stationary statistics is intermittent, the instanton is less steep than the dimensional Kolmogorov scaling, independently of whether or not it is chaotic. Our findings further support the idea that instantons might be crucial to describe some aspects of the multiscale anomalous statistics of shell models.

Experimental investigation and micromagnetic simulations of hybrid CoCr2O4/Ni coaxial nanostructures.

PubMed

Li, W J; Wang, C J; Zhang, X M; Irfan, M; Khan, U; Liu, Y W; Han, X F

2018-06-15

Multiphase CoCr 2 O 4 /Ni core-shell nanowires (NWs) have been synthesized within anodic aluminum oxide membranes by the combination of the sol-gel method with electrodeposition techniques. X-ray diffraction and x-ray photoemission spectroscopy results confirmed the formation of a cubic spinel structure of CoCr 2 O 4 shell with space group Fd-3m (227). The morphology and composition of the as-grown NWs were studied by field emission scanning electron microscopy, as well as transmission electron microscopy. The magnetic properties of the CoCr 2 O 4 NT shell and hybrid CoCr 2 O 4 /Ni NWs were measured at low temperature using a physical property measurement system. The temperature dependence of the magnetization curves showed that CoCr 2 O 4 NTs undergo a transition from a paramagnetic state to a ferrimagnetic state at about 90 K and a spiral ordering transition temperature near 22 K. An enhanced coercivity and saturation field were observed for the CoCr 2 O 4 /Ni core-shell NWs compared to the single-phase Ni NWs. Micromagnetic simulation results indicated that there is a strong coupling between the shell and core layers during the magnetization reversal process. The combination of hard CoCr 2 O 4 and soft Ni in a single NW structure may have potential applications in future multifunctional devices.

Experimental investigation and micromagnetic simulations of hybrid CoCr2O4/Ni coaxial nanostructures

NASA Astrophysics Data System (ADS)

Li, W. J.; Wang, C. J.; Zhang, X. M.; Irfan, M.; Khan, U.; Liu, Y. W.; Han, X. F.

2018-06-01

Multiphase CoCr2O4/Ni core–shell nanowires (NWs) have been synthesized within anodic aluminum oxide membranes by the combination of the sol–gel method with electrodeposition techniques. X-ray diffraction and x-ray photoemission spectroscopy results confirmed the formation of a cubic spinel structure of CoCr2O4 shell with space group Fd-3m (227). The morphology and composition of the as-grown NWs were studied by field emission scanning electron microscopy, as well as transmission electron microscopy. The magnetic properties of the CoCr2O4 NT shell and hybrid CoCr2O4/Ni NWs were measured at low temperature using a physical property measurement system. The temperature dependence of the magnetization curves showed that CoCr2O4 NTs undergo a transition from a paramagnetic state to a ferrimagnetic state at about 90 K and a spiral ordering transition temperature near 22 K. An enhanced coercivity and saturation field were observed for the CoCr2O4/Ni core–shell NWs compared to the single-phase Ni NWs. Micromagnetic simulation results indicated that there is a strong coupling between the shell and core layers during the magnetization reversal process. The combination of hard CoCr2O4 and soft Ni in a single NW structure may have potential applications in future multifunctional devices.

Nuclear mass formula with the shell energies obtained by a new method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koura, H.; Tachibana, T.; Yamada, M.

1998-12-21

Nuclear shapes and masses are estimated by a new method. The main feature of this method lies in estimating shell energies of deformed nuclei from spherical shell energies by mixing them with appropriate weights. The spherical shell energies are calculated from single-particle potentials, and, till now, two mass formulas have been constructed from two different sets of potential parameters. The standard deviation of the calculated masses from all the experimental masses of the 1995 Mass Evaluation is about 760 keV. Contrary to the mass formula by Tachibana, Uno, Yamada and Yamada in the 1987-1988 Atomic Mass Predictions, the present formulasmore » can give nuclear shapes and predict on super-heavy elements.« less

Multidimensional Analysis of Direct-Drive Plastic-Shell Implosions on OMEGA

NASA Astrophysics Data System (ADS)

Radha, P. B.

2004-11-01

Direct-drive implosions of plastic shells with the OMEGA laser are used as energy-scaled warm surrogates for ignition cryogenic targets designed for use on the National Ignition Facility. Plastic targets involve varying shell thickness (15 to 33 μm), fill pressures (3 to 15 atm), and shell adiabats. The multidimensional hydrodynamics code DRACO is used to evaluate the effects of capsule-surface roughness and illumination nonuniformities on target performance. These simulations indicate that shell stability during the acceleration phase plays a critical role in determining fusion yields. For shells that are thick enough to survive the Rayleigh--Taylor growth, target yields are significantly reduced by growth of the long (ℓ < 10) and intermediate modes (20 < ℓ < 50) occurring from single-beam laser nonuniformities. The neutron production rate for these thick shells truncates relative to one-dimensional (1-D) predictions. The neutron-rate curves for the thinner shells, however, have significantly lower amplitudes and widths closer to 1-D results, indicating shell breakup during the acceleration phase. The simulation results are consistent with experimental observations. Previously, the stability of plastic-shell implosions had been correlated to a static ``mix-width'' at the boundary of the gas and plastic pusher estimated using a variety of experimental observables and an assumption of spherical symmetry. Results of these 2-D simulations provide a comprehensive understanding of warm-target implosion dynamics without assumptions of spherical symmetry and serve to answer the question of the hydrodynamic surrogacy between these plastic-shell implosions and the cryogenic ignition designs.

Waltzing route toward double-helix formation in cholesteric shells

NASA Astrophysics Data System (ADS)

Darmon, Alexandre; Benzaquen, Michael; Seč, David; Čopar, Simon; Dauchot, Olivier; Lopez-Leon, Teresa

2016-08-01

Liquid crystals, when confined to a spherical shell, offer fascinating possibilities for producing artificial mesoscopic atoms, which could then self-assemble into materials structured at a nanoscale, such as photonic crystals or metamaterials. The spherical curvature of the shell imposes topological constraints in the molecular ordering of the liquid crystal, resulting in the formation of defects. Controlling the number of defects, that is, the shell valency, and their positions, is a key success factor for the realization of those materials. Liquid crystals with helical cholesteric order offer a promising, yet unexplored way of controlling the shell defect configuration. In this paper, we study cholesteric shells with monovalent and bivalent defect configurations. By bringing together experiments and numerical simulations, we show that the defects appearing in these two configurations have a complex inner structure, as recently reported for simulated droplets. Bivalent shells possess two highly structured defects, which are composed of a number of smaller defect rings that pile up through the shell. Monovalent shells have a single radial defect, which is composed of two nonsingular defect lines that wind around each other in a double-helix structure. The stability of the bivalent configuration against the monovalent one is controlled by c = h/p, where h is the shell thickness and p the cholesteric helical pitch. By playing with the shell geometry, we can trigger the transition between the two configurations. This transition involves a fascinating waltz dynamics, where the two defects come closer while turning around each other.

A model study of aggregates composed of spherical soot monomers with an acentric carbon shell

NASA Astrophysics Data System (ADS)

Luo, Jie; Zhang, Yongming; Zhang, Qixing

2018-01-01

Influences of morphology on the optical properties of soot particles have gained increasing attentions. However, studies on the effect of the way primary particles are coated on the optical properties is few. Aimed to understand how the primary particles are coated affect the optical properties of soot particles, the coated soot particle was simulated using the acentric core-shell monomers model (ACM), which was generated by randomly moving the cores of concentric core-shell monomers (CCM) model. Single scattering properties of the CCM model with identical fractal parameters were calculated 50 times at first to evaluate the optical diversities of different realizations of fractal aggregates with identical parameters. The results show that optical diversities of different realizations for fractal aggregates with identical parameters cannot be eliminated by averaging over ten random realizations. To preserve the fractal characteristics, 10 realizations of each model were generated based on the identical 10 parent fractal aggregates, and then the results were averaged over each 10 realizations, respectively. The single scattering properties of all models were calculated using the numerically exact multiple-sphere T-matrix (MSTM) method. It is found that the single scattering properties of randomly coated soot particles calculated using the ACM model are extremely close to those using CCM model and homogeneous aggregate (HA) model using Maxwell-Garnett effective medium theory. Our results are different from previous studies. The reason may be that the differences in previous studies were caused by fractal characteristics but not models. Our findings indicate that how the individual primary particles are coated has little effect on the single scattering properties of soot particles with acentric core-shell monomers. This work provides a suggestion for scattering model simplification and model selection.

Ab initio description of p-shell hypernuclei.

PubMed

Wirth, Roland; Gazda, Daniel; Navrátil, Petr; Calci, Angelo; Langhammer, Joachim; Roth, Robert

2014-11-07

We present the first ab initio calculations for p-shell single-Λ hypernuclei. For the solution of the many-baryon problem, we develop two variants of the no-core shell model with explicit Λ and Σ(+),Σ(0),Σ(-) hyperons including Λ-Σ conversion, optionally supplemented by a similarity renormalization group transformation to accelerate model-space convergence. In addition to state-of-the-art chiral two- and three-nucleon interactions, we use leading-order chiral hyperon-nucleon interactions and a recent meson-exchange hyperon-nucleon interaction. We validate the approach for s-shell hypernuclei and apply it to p-shell hypernuclei, in particular to (Λ)(7)Li, (Λ)(9)Be, and (Λ)(13)C. We show that the chiral hyperon-nucleon interactions provide ground-state and excitation energies that generally agree with experiment within the cutoff dependence. At the same time we demonstrate that hypernuclear spectroscopy provides tight constraints on the hyperon-nucleon interactions.

Electrosprayed core-shell polymer-lipid nanoparticles for active component delivery

NASA Astrophysics Data System (ADS)

Eltayeb, Megdi; Stride, Eleanor; Edirisinghe, Mohan

2013-11-01

A key challenge in the production of multicomponent nanoparticles for healthcare applications is obtaining reproducible monodisperse nanoparticles with the minimum number of preparation steps. This paper focus on the use of electrohydrodynamic (EHD) techniques to produce core-shell polymer-lipid structures with a narrow size distribution in a single step process. These nanoparticles are composed of a hydrophilic core for active component encapsulation and a lipid shell. It was found that core-shell nanoparticles with a tunable size range between 30 and 90 nm and a narrow size distribution could be reproducibly manufactured. The results indicate that the lipid component (stearic acid) stabilizes the nanoparticles against collapse and aggregation and improves entrapment of active components, in this case vanillin, ethylmaltol and maltol. The overall structure of the nanoparticles produced was examined by multiple methods, including transmission electron microscopy and differential scanning calorimetry, to confirm that they were of core-shell form.

Non-parametric representation and prediction of single- and multi-shell diffusion-weighted MRI data using Gaussian processes

PubMed Central

Andersson, Jesper L.R.; Sotiropoulos, Stamatios N.

2015-01-01

Diffusion MRI offers great potential in studying the human brain microstructure and connectivity. However, diffusion images are marred by technical problems, such as image distortions and spurious signal loss. Correcting for these problems is non-trivial and relies on having a mechanism that predicts what to expect. In this paper we describe a novel way to represent and make predictions about diffusion MRI data. It is based on a Gaussian process on one or several spheres similar to the Geostatistical method of “Kriging”. We present a choice of covariance function that allows us to accurately predict the signal even from voxels with complex fibre patterns. For multi-shell data (multiple non-zero b-values) the covariance function extends across the shells which means that data from one shell is used when making predictions for another shell. PMID:26236030

Simulation of angular-resolved RABBITT measurements in noble-gas atoms

NASA Astrophysics Data System (ADS)

Bray, Alexander W.; Naseem, Faiza; Kheifets, Anatoli S.

2018-06-01

We simulate angular-resolved RABBITT (reconstruction of attosecond beating by interference of two-photon transitions) measurements on valence shells of noble-gas atoms (Ne, Ar, Kr, and Xe). Our nonperturbative numerical simulation is based on solution of the time-dependent Schrödinger equation (TDSE) for a target atom driven by an ionizing XUV and dressing IR fields. From these simulations we extract the angular-dependent magnitude and phase of the RABBITT oscillations and deduce the corresponding angular anisotropy β parameter and Wigner time delay τW for the single XUV photon absorption that initiates the RABBITT process. Said β and τW parameters are compared with calculations in the random-phase approximation with exchange (RPAE), which includes intershell correlation. This comparison is used to test various effective potentials employed in the one-electron TDSE. In lighter atoms (Ne and Ar), several effective potentials are found to provide accurate simulations of RABBITT measurements for a wide range of photon energies up to 100 eV above the valence-shell threshold. In heavier atoms (Kr and Xe), the onset of strong correlation with the d shell restricts the validity of the single active electron approximation to several tens of eV above the valence-shell threshold.

Near-K -edge single, double, and triple photoionization of C+ ions

NASA Astrophysics Data System (ADS)

Müller, A.; Borovik, A.; Buhr, T.; Hellhund, J.; Holste, K.; Kilcoyne, A. L. D.; Klumpp, S.; Martins, M.; Ricz, S.; Viefhaus, J.; Schippers, S.

2018-01-01

Single, double, and triple ionization of the C+ ion by a single photon have been investigated in the energy range 286 to 326 eV around the K -shell single-ionization threshold at an unprecedented level of detail. At energy resolutions as low as 12 meV, corresponding to a resolving power of 24 000, natural linewidths of the most prominent resonances could be determined. From the measurement of absolute cross sections, oscillator strengths, Einstein coefficients, multielectron Auger decay rates, and other transition parameters of the main K -shell excitation and decay processes are derived. The cross sections are compared to results of previous theoretical calculations. Mixed levels of agreement are found despite the relatively simple atomic structure of the C+ ion with only five electrons. This paper is a followup to a previous Letter [A. Müller et al., Phys. Rev. Lett. 114, 013002 (2015), 10.1103/PhysRevLett.114.013002].

Sub-nanometer pore formation in single-molecule-thick polyurea molecular-sieving membrane: a computational study.

PubMed

Park, Seongjin; Lansac, Yves; Jang, Yun Hee

2018-06-07

A polymeric network of 1-(4-tritylphenyl)urea (TPU) built via layer-by-layer cross-linking polymerization has been proposed to be an excellent mesh equipped with single-molecule-thick pores (i.e., cyclic poly-TPU rings), which can sieve glucose (∼0.7 nm) out of its mixture with urea for hemodialysis applications. Monte Carlo search for the lowest-energy conformation of various sizes of poly-TPU rings unravels the origin of narrow pore size distribution, which is around the sizes of dimer and trimer rings (0.3-0.8 nm). Flexible rings larger than the dimer and trimer rings, in particular tetramer rings, prefer a twisted conformation in the shape of the infinity symbol (∞, which looks like two dimer rings joined together) locked by a hydrogen bond between diphenylurea linker groups facing each other. Translocation energy profiles across these TPU rings reveal their urea-versus-glucose sieving mechanism: glucose is either too large (to enter dimers and twisted tetramers) or too perfectly fit (to exit trimers), leaving only a dimer-sized free space in the ring, whereas smaller-sized urea and water pass through these effective dimer-sized rings (bare dimers, twisted tetramers, and glucose-filled trimers) without encountering a substantial energy barrier or trap.

High-speed classification of coherent X-ray diffraction patterns on the K computer for high-resolution single biomolecule imaging.

PubMed

Tokuhisa, Atsushi; Arai, Junya; Joti, Yasumasa; Ohno, Yoshiyuki; Kameyama, Toyohisa; Yamamoto, Keiji; Hatanaka, Masayuki; Gerofi, Balazs; Shimada, Akio; Kurokawa, Motoyoshi; Shoji, Fumiyoshi; Okada, Kensuke; Sugimoto, Takashi; Yamaga, Mitsuhiro; Tanaka, Ryotaro; Yokokawa, Mitsuo; Hori, Atsushi; Ishikawa, Yutaka; Hatsui, Takaki; Go, Nobuhiro

2013-11-01

Single-particle coherent X-ray diffraction imaging using an X-ray free-electron laser has the potential to reveal the three-dimensional structure of a biological supra-molecule at sub-nanometer resolution. In order to realise this method, it is necessary to analyze as many as 1 × 10(6) noisy X-ray diffraction patterns, each for an unknown random target orientation. To cope with the severe quantum noise, patterns need to be classified according to their similarities and average similar patterns to improve the signal-to-noise ratio. A high-speed scalable scheme has been developed to carry out classification on the K computer, a 10PFLOPS supercomputer at RIKEN Advanced Institute for Computational Science. It is designed to work on the real-time basis with the experimental diffraction pattern collection at the X-ray free-electron laser facility SACLA so that the result of classification can be feedback for optimizing experimental parameters during the experiment. The present status of our effort developing the system and also a result of application to a set of simulated diffraction patterns is reported. About 1 × 10(6) diffraction patterns were successfully classificatied by running 255 separate 1 h jobs in 385-node mode.

Imaging of radiation damage using complementary field ion microscopy and atom probe tomography.

PubMed

Dagan, Michal; Hanna, Luke R; Xu, Alan; Roberts, Steve G; Smith, George D W; Gault, Baptiste; Edmondson, Philip D; Bagot, Paul A J; Moody, Michael P

2015-12-01

Radiation damage in tungsten and a tungsten-tantalum alloy, both of relevance to nuclear fusion research, has been characterized using a combination of field ion microscopy (FIM) imaging and atom probe tomography (APT). While APT provides 3D analytical imaging with sub-nanometer resolution, FIM is capable of imaging the arrangements of single atoms on a crystal lattice and has the potential to provide insights into radiation induced crystal damage, all the way down to its smallest manifestation--a single vacancy. This paper demonstrates the strength of combining these characterization techniques. In ion implanted tungsten, it was found that atomic scale lattice damage is best imaged using FIM. In certain cases, APT reveals an identifiable imprint in the data via the segregation of solute and impurities and trajectory aberrations. In a W-5at%Ta alloy, a combined APT-FIM study was able to determine the atomic distribution of tantalum inside the tungsten matrix. An indirect method was implemented to identify tantalum atoms inside the tungsten matrix in FIM images. By tracing irregularities in the evaporation sequence of atoms imaged with FIM, this method enables the benefit of FIM's atomic resolution in chemical distinction between the two species. Copyright © 2015 Elsevier B.V. All rights reserved.

High-speed classification of coherent X-ray diffraction patterns on the K computer for high-resolution single biomolecule imaging

PubMed Central

Tokuhisa, Atsushi; Arai, Junya; Joti, Yasumasa; Ohno, Yoshiyuki; Kameyama, Toyohisa; Yamamoto, Keiji; Hatanaka, Masayuki; Gerofi, Balazs; Shimada, Akio; Kurokawa, Motoyoshi; Shoji, Fumiyoshi; Okada, Kensuke; Sugimoto, Takashi; Yamaga, Mitsuhiro; Tanaka, Ryotaro; Yokokawa, Mitsuo; Hori, Atsushi; Ishikawa, Yutaka; Hatsui, Takaki; Go, Nobuhiro

2013-01-01

Single-particle coherent X-ray diffraction imaging using an X-ray free-electron laser has the potential to reveal the three-dimensional structure of a biological supra-molecule at sub-nanometer resolution. In order to realise this method, it is necessary to analyze as many as 1 × 106 noisy X-ray diffraction patterns, each for an unknown random target orientation. To cope with the severe quantum noise, patterns need to be classified according to their similarities and average similar patterns to improve the signal-to-noise ratio. A high-speed scalable scheme has been developed to carry out classification on the K computer, a 10PFLOPS supercomputer at RIKEN Advanced Institute for Computational Science. It is designed to work on the real-time basis with the experimental diffraction pattern collection at the X-ray free-electron laser facility SACLA so that the result of classification can be feedback for optimizing experimental parameters during the experiment. The present status of our effort developing the system and also a result of application to a set of simulated diffraction patterns is reported. About 1 × 106 diffraction patterns were successfully classificatied by running 255 separate 1 h jobs in 385-node mode. PMID:24121336

Lateral Earth Pressure at Rest and Shear Modulus Measurements on Hanford Sludge Simulants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wells, Beric E.; Jenks, Jeromy WJ; Boeringa, Gregory K.

2010-09-30

This report describes the equipment, techniques, and results of lateral earth pressure at rest and shear modulus measurements on kaolin clay as well as two chemical sludge simulants. The testing was performed in support of the problem of hydrogen gas retention and release encountered in the double- shell tanks (DSTs) at the Hanford Site near Richland, Washington. Wastes from single-shell tanks (SSTs) are being transferred to double-shell tanks (DSTs) for safety reasons (some SSTs are leaking or are in danger of leaking), but the available DST space is limited.

Semiclassical Origin of Superdeformed Shell Structure in the Spheroidal Cavity Model

NASA Astrophysics Data System (ADS)

Arita, K.; Sugita, A.; Matsuyanagi, K.

1998-12-01

Classical periodic orbits responsible for emergence of the superdeformed shell structures of single-particle motion in spheroidal cavities are identified and their relative contributions to the shell structures are evaluated. Both prolate and oblate superdeformations (axis ratio approximately 2:1) as well as prolate hyperdeformation (axis ratio approximately 3:1) are investigated. Fourier transforms of quantum spectra clearly show that three-dimensional periodic orbits born out of bifurcations of planar orbits in the equatorial plane become predominant at large prolate deformations, while butterfly-shaped planar orbits bifurcated from linear orbits along the minor axis are important at large oblate deformations.

Nano-Biotechnology in Using Enzymes for Environmental Remediation: Single-Enzyme Nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jungbae; Grate, Jay W.

2005-01-01

We have developed armored single-enzyme nanoparticles (SENs), which dramatically stabilize a protease (a-chymotrypsin, CT) by surrounding each enzyme molecule with a porous composite organic/inorganic shell of less than a few nanometers thick. The armored enzymes show no decrease in CT activity at 30°C for a day while free CT activity is rapidly reduced by orders of magnitude. The armored shell around CT is sufficiently thin and porous that it does not place any serious mass-transfer limitation of substrate. This unique approach will have a great impact in using enzymes in various fields, including environmental remediation.

Electronic state and photoionization cross section of a single dopant in GaN/InGaN core/shell quantum dot under magnetic field and hydrostatic pressure

NASA Astrophysics Data System (ADS)

Aouami, A. El; Feddi, E.; Talbi, A.; Dujardin, F.; Duque, C. A.

2018-06-01

In this study, we have investigated the simultaneous influence of magnetic field combined to the hydrostatic pressure and the geometrical confinement on the behavior of a single dopant confined in GaN/InGaN core/shell quantum dots. Within the scheme of the effective-mass approximation, the eigenvalues equation has solved by using the variational method with one-parameter trial wavefunctions. Variation of the ground state binding energy of the single dopant is determined according to the magnetic field and hydrostatic pressure for several dimensions of the heterostructure. The results show that the binding energy is strongly dependent on the core/shell sizes, the magnetic field, and the hydrostatic pressure. The analysis of the photoionization cross section, corresponding to optical transitions associated to the first donor energy level and the conduction band, shows clearly that the reduction of the dot dimensions and/or the simultaneous influences of applied magnetic field, combined to the hydrostatic pressure strength, cause a shift in resonance peaks towards the higher energies with important variations in the magnitude of the resonant peaks.

Gastropod shell size and architecture influence the applicability of methods used to estimate internal volume.

PubMed

Ragagnin, Marilia Nagata; Gorman, Daniel; McCarthy, Ian Donald; Sant'Anna, Bruno Sampaio; de Castro, Cláudio Campi; Turra, Alexander

2018-01-11

Obtaining accurate and reproducible estimates of internal shell volume is a vital requirement for studies into the ecology of a range of shell-occupying organisms, including hermit crabs. Shell internal volume is usually estimated by filling the shell cavity with water or sand, however, there has been no systematic assessment of the reliability of these methods and moreover no comparison with modern alternatives, e.g., computed tomography (CT). This study undertakes the first assessment of the measurement reproducibility of three contrasting approaches across a spectrum of shell architectures and sizes. While our results suggested a certain level of variability inherent for all methods, we conclude that a single measure using sand/water is likely to be sufficient for the majority of studies. However, care must be taken as precision may decline with increasing shell size and structural complexity. CT provided less variation between repeat measures but volume estimates were consistently lower compared to sand/water and will need methodological improvements before it can be used as an alternative. CT indicated volume may be also underestimated using sand/water due to the presence of air spaces visible in filled shells scanned by CT. Lastly, we encourage authors to clearly describe how volume estimates were obtained.

Broadband absorption and enhanced photothermal conversion property of octopod-like Ag@Ag2S core@shell structures with gradually varying shell thickness.

PubMed

Jiang, Qian; Zeng, Wenxia; Zhang, Canying; Meng, Zhaoguo; Wu, Jiawei; Zhu, Qunzhi; Wu, Daxiong; Zhu, Haitao

2017-12-19

Photothermal conversion materials have promising applications in many fields and therefore they have attracted tremendous attention. However, the multi-functionalization of a single nanostructure to meet the requirements of multiple photothermal applications is still a challenge. The difficulty is that most nanostructures have specific absoprtion band and are not flexible to different demands. In the current work, we reported the synthesis and multi-band photothermal conversion of Ag@Ag 2 S core@shell structures with gradually varying shell thickness. We synthesized the core@shell structures through the sulfidation of Ag nanocubes by taking the advantage of their spatially different reactivity. The resulting core@shell structures show an octopod-like mopgorlogy with a Ag 2 S bulge sitting at each corner of the Ag nanocubes. The thickness of the Ag 2 S shell gradually increases from the central surface towards the corners of the structure. The synthesized core@shell structures show a broad band absorption spectrum from 300 to 1100 nm. Enhanced photothermal conversion effect is observed under the illuminations of 635, 808, and 1064 nm lasers. The results indicate that the octopod-like Ag@Ag 2 S core@shell structures have characteristics of multi-band photothermal conversion. The current work might provide a guidance for the design and synthesis of multifunctional photothermal conversion materials.

On the origin of the extended infrared shell around NGC 6888

NASA Astrophysics Data System (ADS)

Lozinskaya, T. A.; Pravdikova, V. V.; Gosachinskij, I. V.; Trushkin, S. A.

1997-06-01

The results of a program of research on the extended infrared shell around the nebula NGC 6888 and the star WR 136 are presented. We performed H-alpha observations with a Fabry-Perot interferometer mounted at the focus of a 125-cm telescope and radio continuum (2.7 to 31 cm) and 21-cm HI observations with the RATAN-600 radio telescope. A thick expanding shell of neutral hydrogen 120 pc in diameter that immediately surrounds the extended infrared shell was detected. This suggests that the infrared shell is a single structure rather than a projection of physically unrelated objects. The radial velocity of the HI shell is 11 +/- 1 km/s, the expansion velocity is 10 +/- 3 km/s, and the mass of the neutral hydrogen in the shell is 10 exp 4 solar masses. The bright radio features that we detected in the region of the infrared shell all exhibit a flat spectmm typical of thermal emission from optically thin HII regions. The same inference is probably also true for the nebula Simeiz 55. Our observations are consistent with the assumption of Marston that the extended shell was formed by the stellar wind from the precursor of WR 136, but they do not rule out the identification with a very old supernova remnant proposed by Nichols-Bohlin and Fesen.

Boron Nitride-supported Sub-nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schimmenti, Roberto; Cortese, Remedios; Duca, Dario

A periodic, self-consistent planewave DFT study was carried out to explore the potential use of Pd 6 clusters supported on a boron nitride sheet as a catalyst for the selective decomposition of formic acid (HCOOH) to CO 2 and H 2. The competition between formate (HCOO) and carboxyl (COOH) paths on catalytic sites, with different proximities to the support, was studied. Based on energetics alone, the reaction may mainly follow the HCOO route. Slightly lower activation energies were found at the lateral sites of the cluster as compared to top face sites. This is particularly true for the bidentate tomore » monodentate HCOO conversion. Through comparison of results with similar studies on HCOOH decomposition on extended Pd surfaces, it was demonstrated that the existence of undercoordinated sites in the sub-nanometer cluster could play a key role in preferentially stabilizing HCOO over COOH, which is a common CO precursor in this reaction. A hydrogen spillover mechanism was also investigated; migration toward the boron nitride support is not favorable, at least in the early stages of the reaction. However, hydrogen diffusion on the cluster has low barriers compared to those involved in formic acid decomposition.« less

Boron Nitride-supported Sub-nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study

DOE PAGES

Schimmenti, Roberto; Cortese, Remedios; Duca, Dario; ...

2017-04-25

A periodic, self-consistent planewave DFT study was carried out to explore the potential use of Pd 6 clusters supported on a boron nitride sheet as a catalyst for the selective decomposition of formic acid (HCOOH) to CO 2 and H 2. The competition between formate (HCOO) and carboxyl (COOH) paths on catalytic sites, with different proximities to the support, was studied. Based on energetics alone, the reaction may mainly follow the HCOO route. Slightly lower activation energies were found at the lateral sites of the cluster as compared to top face sites. This is particularly true for the bidentate tomore » monodentate HCOO conversion. Through comparison of results with similar studies on HCOOH decomposition on extended Pd surfaces, it was demonstrated that the existence of undercoordinated sites in the sub-nanometer cluster could play a key role in preferentially stabilizing HCOO over COOH, which is a common CO precursor in this reaction. A hydrogen spillover mechanism was also investigated; migration toward the boron nitride support is not favorable, at least in the early stages of the reaction. However, hydrogen diffusion on the cluster has low barriers compared to those involved in formic acid decomposition.« less

Atomically Thin Femtojoule Memristive Device

DOE PAGES

Zhao, Huan; Dong, Zhipeng; Tian, He; ...

2017-10-25

The morphology and dimension of the conductive filament formed in a memristive device are strongly influenced by the thickness of its switching medium layer. Aggressive scaling of this active layer thickness is critical toward reducing the operating current, voltage, and energy consumption in filamentary-type memristors. Previously, the thickness of this filament layer has been limited to above a few nanometers due to processing constraints, making it challenging to further suppress the on-state current and the switching voltage. In this paper, the formation of conductive filaments in a material medium with sub-nanometer thickness formed through the oxidation of atomically thin two-dimensionalmore » boron nitride is studied. The resulting memristive device exhibits sub-nanometer filamentary switching with sub-pA operation current and femtojoule per bit energy consumption. Furthermore, by confining the filament to the atomic scale, current switching characteristics are observed that are distinct from that in thicker medium due to the profoundly different atomic kinetics. The filament morphology in such an aggressively scaled memristive device is also theoretically explored. Finally, these ultralow energy devices are promising for realizing femtojoule and sub-femtojoule electronic computation, which can be attractive for applications in a wide range of electronics systems that desire ultralow power operation.« less

Structural and Magnetic Response in Bimetallic Core/Shell Magnetic Nanoparticles

PubMed Central

Nairan, Adeela; Khan, Usman; Iqbal, Munawar; Khan, Maaz; Javed, Khalid; Riaz, Saira; Naseem, Shahzad; Han, Xiufeng

2016-01-01

Bimagnetic monodisperse CoFe2O4/Fe3O4 core/shell nanoparticles have been prepared by solution evaporation route. To demonstrate preferential coating of iron oxide onto the surface of ferrite nanoparticles X-ray diffraction (XRD), High resolution transmission electron microscope (HR-TEM) and Raman spectroscopy have been performed. XRD analysis using Rietveld refinement technique confirms single phase nanoparticles with average seed size of about 18 nm and thickness of shell is 3 nm, which corroborates with transmission electron microscopy (TEM) analysis. Low temperature magnetic hysteresis loops showed interesting behavior. We have observed large coercivity 15.8 kOe at T = 5 K, whereas maximum saturation magnetization (125 emu/g) is attained at T = 100 K for CoFe2O4/Fe3O4 core/shell nanoparticles. Saturation magnetization decreases due to structural distortions at the surface of shell below 100 K. Zero field cooled (ZFC) and Field cooled (FC) plots show that synthesized nanoparticles are ferromagnetic till room temperature and it has been noticed that core/shell sample possess high blocking temperature than Cobalt Ferrite. Results indicate that presence of iron oxide shell significantly increases magnetic parameters as compared to the simple cobalt ferrite. PMID:28335200

Strain history of ice shells of the Galilean satellites from radar detection of crystal orientation fabric

NASA Astrophysics Data System (ADS)

Barr, Amy C.; Stillman, David E.

2011-03-01

Orbital radar sounding has been suggested as a means of determining the subsurface thermal and physical structure of the outer ice I shells of the Galilean satellites. At radar frequencies, the dielectric permittivity of single- and polycrystalline water ice I is anisotropic. Crystal orientation fabric (COF), which is indicative of strain history, can be unambiguously detected by comparing the received power of dual co-polarization (linear polarization parallel and perpendicular to the orbit) radar data. Regions with crystal orientations dictated by the local strain field (“fabric”) form in terrestrial ice masses where accumulated strain and temperature are high, similar to conditions expected in a convecting outer ice I shell on Europa, Ganymede, or Callisto. We use simulations of solid-state ice shell convection to show that crystal orientation fabric can form in the warm convecting sublayer of the ice shells for plausible grain sizes. Changes in received power from parallel and perpendicular polarizations in the ice shells due to fabric could be detected if multi-polarization data is collected. With proper instrument design, radar sounding could be used to shed light on the strain history of the satellites' ice shells in addition to their present day internal structures.

One-by-one imprinting in two eccentric layers of hollow core-shells: Sequential electroanalysis of anti-HIV drugs.

PubMed

Singh, Kislay; Jaiswal, Swadha; Singh, Richa; Fatma, Sana; Prasad, Bhim Bali

2018-07-15

Double layered one-by-one imprinted hollow core-shells@ pencil graphite electrode was fabricated for sequential sensing of anti-HIV drugs. For this, two eccentric layers were developed on the surface of vinylated silica nanospheres to obtain double layered one-by-one imprinted solid core-shells. This yielded hollow core-shells on treatment with hydrofluoric acid. The modified hollow core-shells (single layered dual imprinted) evolved competitive diffusion of probe/analyte molecules. However, the corresponding double layered one-by-one imprinted hollow core-shells (outer layer imprinted with Zidovudine, and inner layer with Lamivudine) were found relatively better owing to their bilateral diffusions into molecular cavities, without any competition. The entire work is based on differential pulse anodic stripping voltammetry at double layered one-by-one imprinted hollow core-shells. This resulted in indirect detection of electro inactive targets with limits of detection as low as 0.91 and 0.12 (aqueous sample), 0.94 and 0.13 (blood serum), and 0.99 and 0.20 ng mL -1 (pharmaceutics) for lamivudine and zidovudine, respectively in anti-HIV drug combination. Copyright © 2018 Elsevier B.V. All rights reserved.

Kinetic Energy Transfer Process in a Double Shell Leading to Robust Burn

NASA Astrophysics Data System (ADS)

Montgomery, D. S.; Daughton, W. S.; Albright, B. J.; Wilson, D. C.; Loomis, E. N.; Merritt, E. C.; Dodd, E. S.; Kirkpatrick, R. C.; Watt, R. G.; Rosen, M. D.

2017-10-01

A goal of double shell capsule implosions is to impart sufficient internal energy to the D-T fuel at stagnation in order to obtain robust α-heating and burn with low hot spot convergence, C.R. < 10. A simple description of the kinetic energy transfer from the outer shell to the inner shell is found using shock physics and adiabatic compression, and compares well with 1D modeling. An isobaric model for the stagnation phase of the inner shell is used to determine the ideal partition of internal energy in the D-T fuel. Robust burn of the fuel requires, at minimum, that α-heating exceeds the rate of cooling by expansion of the hot spot so that the yield occurs before the hot spot disassembles, which is then used to define a minimum requirement for robust burn. One potential advantage of a double shell capsule compared to single shell capsules is the use of a heavy metal pusher, which may lead to a longer hot spot disassembly time. We present these analytic results and compare them to 1D and 2D radiation-hydrodynamic simulations. Work performed under the auspices of DOE by LANL under contract DE-AC52-06NA25396.

OWL: A code for the two-center shell model with spherical Woods-Saxon potentials

NASA Astrophysics Data System (ADS)

Diaz-Torres, Alexis

2018-03-01

A Fortran-90 code for solving the two-center nuclear shell model problem is presented. The model is based on two spherical Woods-Saxon potentials and the potential separable expansion method. It describes the single-particle motion in low-energy nuclear collisions, and is useful for characterizing a broad range of phenomena from fusion to nuclear molecular structures.

Experimental data on the properties of natural fiber particle reinforced polymer composite material.

PubMed

Chandramohan, D; Presin Kumar, A John

2017-08-01

This paper presents an experimental study on the development of polymer bio-composites. The powdered coconut shell, walnut shells and Rice husk are used as reinforcements with bio epoxy resin to form hybrid composite specimens. The fiber compositions in each specimen are 1:1 while the resin and hardener composition 10:1 respectively. The fabricated composites were tested as per ASTM standards to evaluate mechanical properties such as tensile strength, flexural strength, shear strength and impact strength are evaluated in both with moisture and without moisture. The result of test shows that hybrid composite has far better properties than single fibre glass reinforced composite under mechanical loads. However it is found that the incorporation of walnut shell and coconut shell fibre can improve the properties.

Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals

NASA Astrophysics Data System (ADS)

Hansen, Andreas; Liakos, Dimitrios G.; Neese, Frank

2011-12-01

A production level implementation of the high-spin open-shell (spin unrestricted) single reference coupled pair, quadratic configuration interaction and coupled cluster methods with up to doubly excited determinants in the framework of the local pair natural orbital (LPNO) concept is reported. This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009), 10.1063/1.3086717; F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009), 10.1063/1.3173827]. The internal space is spanned by localized orbitals, while the external space for each electron pair is represented by a truncated PNO expansion. The laborious integral transformation associated with the large number of PNOs becomes feasible through the extensive use of density fitting (resolution of the identity (RI)) techniques. Technical complications arising for the open-shell case and the use of quasi-restricted orbitals for the construction of the reference determinant are discussed in detail. As in the closed-shell case, only three cutoff parameters control the average number of PNOs per electron pair, the size of the significant pair list, and the number of contributing auxiliary basis functions per PNO. The chosen threshold default values ensure robustness and the results of the parent canonical methods are reproduced to high accuracy. Comprehensive numerical tests on absolute and relative energies as well as timings consistently show that the outstanding performance of the LPNO methods carries over to the open-shell case with minor modifications. Finally, hyperfine couplings calculated with the variational LPNO-CEPA/1 method, for which a well-defined expectation value type density exists, indicate the great potential of the LPNO approach for the efficient calculation of molecular properties.

Synthesis and magnetic properties of cobalt-iron/cobalt-ferrite soft/hard magnetic core/shell nanowires

NASA Astrophysics Data System (ADS)

Leandro Londoño-Calderón, César; Moscoso-Londoño, Oscar; Muraca, Diego; Arzuza, Luis; Carvalho, Peterson; Pirota, Kleber Roberto; Knobel, Marcelo; Pampillo, Laura Gabriela; Martínez-García, Ricardo

2017-06-01

A straightforward method for the synthesis of CoFe2.7/CoFe2O4 core/shell nanowires is described. The proposed method starts with a conventional pulsed electrodeposition procedure on alumina nanoporous template. The obtained CoFe2.7 nanowires are released from the template and allowed to oxidize at room conditions over several weeks. The effects of partial oxidation on the structural and magnetic properties were studied by x-ray spectrometry, magnetometry, and scanning and transmission electron microscopy. The results indicate that the final nanowires are composed of 5 nm iron-cobalt alloy nanoparticles. Releasing the nanowires at room conditions promoted surface oxidation of the nanoparticles and created a CoFe2O4 shell spinel-like structure. The shell avoids internal oxidation and promotes the formation of bi-magnetic soft/hard magnetic core/shell nanowires. The magnetic properties of both the initial single-phase CoFe2.7 nanowires and the final core/shell nanowires, reveal that the changes in the properties from the array are due to the oxidation more than effects associated with released processes (disorder and agglomeration).

Synthesis and magnetic properties of cobalt-iron/cobalt-ferrite soft/hard magnetic core/shell nanowires.

PubMed

Londoño-Calderón, César Leandro; Moscoso-Londoño, Oscar; Muraca, Diego; Arzuza, Luis; Carvalho, Peterson; Pirota, Kleber Roberto; Knobel, Marcelo; Pampillo, Laura Gabriela; Martínez-García, Ricardo

2017-06-16

A straightforward method for the synthesis of CoFe 2.7 /CoFe 2 O 4 core/shell nanowires is described. The proposed method starts with a conventional pulsed electrodeposition procedure on alumina nanoporous template. The obtained CoFe 2.7 nanowires are released from the template and allowed to oxidize at room conditions over several weeks. The effects of partial oxidation on the structural and magnetic properties were studied by x-ray spectrometry, magnetometry, and scanning and transmission electron microscopy. The results indicate that the final nanowires are composed of 5 nm iron-cobalt alloy nanoparticles. Releasing the nanowires at room conditions promoted surface oxidation of the nanoparticles and created a CoFe 2 O 4 shell spinel-like structure. The shell avoids internal oxidation and promotes the formation of bi-magnetic soft/hard magnetic core/shell nanowires. The magnetic properties of both the initial single-phase CoFe 2.7 nanowires and the final core/shell nanowires, reveal that the changes in the properties from the array are due to the oxidation more than effects associated with released processes (disorder and agglomeration).

Design, synthesis and applications of core-shell, hollow core, and nanorattle multifunctional nanostructures.

PubMed

El-Toni, Ahmed Mohamed; Habila, Mohamed A; Labis, Joselito Puzon; ALOthman, Zeid A; Alhoshan, Mansour; Elzatahry, Ahmed A; Zhang, Fan

2016-02-07

With the evolution of nanoscience and nanotechnology, studies have been focused on manipulating nanoparticle properties through the control of their size, composition, and morphology. As nanomaterial research has progressed, the foremost focus has gradually shifted from synthesis, morphology control, and characterization of properties to the investigation of function and the utility of integrating these materials and chemical sciences with the physical, biological, and medical fields, which therefore necessitates the development of novel materials that are capable of performing multiple tasks and functions. The construction of multifunctional nanomaterials that integrate two or more functions into a single geometry has been achieved through the surface-coating technique, which created a new class of substances designated as core-shell nanoparticles. Core-shell materials have growing and expanding applications due to the multifunctionality that is achieved through the formation of multiple shells as well as the manipulation of core/shell materials. Moreover, core removal from core-shell-based structures offers excellent opportunities to construct multifunctional hollow core architectures that possess huge storage capacities, low densities, and tunable optical properties. Furthermore, the fabrication of nanomaterials that have the combined properties of a core-shell structure with that of a hollow one has resulted in the creation of a new and important class of substances, known as the rattle core-shell nanoparticles, or nanorattles. The design strategies of these new multifunctional nanostructures (core-shell, hollow core, and nanorattle) are discussed in the first part of this review. In the second part, different synthesis and fabrication approaches for multifunctional core-shell, hollow core-shell and rattle core-shell architectures are highlighted. Finally, in the last part of the article, the versatile and diverse applications of these nanoarchitectures in catalysis, energy storage, sensing, and biomedicine are presented.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eriksen, Janus J., E-mail: janusje@chem.au.dk; Jørgensen, Poul; Matthews, Devin A.

The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T–n) triples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test setmore » of 18 modest-sized open-shell species with comparable RHF-based results, no behavioral differences are observed for the higher-order models of the CCSD(T–n) series in their correlated descriptions of closed- and open-shell species. In particular, we find that the convergence rate throughout the series towards the coupled cluster singles, doubles, and triples (CCSDT) solution is identical for the two cases. For the CCSD(T) model, on the other hand, not only its numerical consistency, but also its established, yet fortuitous cancellation of errors breaks down in the transition from closed- to open-shell systems. The higher-order CCSD(T–n) models (orders n > 3) thus offer a consistent and significant improvement in accuracy relative to CCSDT over the CCSD(T) model, equally for RHF, UHF, and ROHF reference determinants, albeit at an increased computational cost.« less

Stretched proton-neutron configurations in fp-shell nuclei (II). Systematics

NASA Astrophysics Data System (ADS)

von Neumann-Cosel, P.; Fister, U.; Jahn, R.; Schenk, P.; Trelle, T. K.; Wenzel, D.; Wienands, U.

1994-03-01

The systematics of the binding energies of stretched proton-neutron configurations ( f{7}/{2}, g{9}/{2}) 8 -, ( p{3}/{2}, g{9}/{2}) 6 -, ( g{9}/{2}, p{3}/{2}) 6- and ( g{9}/{2}) 29 + are studied over a wide range of f p-shell nuclei. The effective proton-neutron interaction energies deduced from the data are nearly constant for ( p{3}/{2}, g{9}/{2}) 6 -and ( g{9}/{2}) 29 + states while the ( f{7}/{2}, g{9}/{2}) 8 - configuration reveals an additional repulsive term proportional to the partial filling of the f{7}/{2} orbit in the target ground state. Two-body matrix elements are extracted. A crude shell model, which predicts that the excitation energy of a stretched state is equal to the sum of the single-particle energies, works well for the 6 - and 9 + states, but fails for the 8 - levels due to neglect of the additional interactions described above. The physics underlying the empirically introduced basic assumptions of the crude shell model is discussed. The binding energies are found to be linearly dependent on the mass number A and the isospin Tz component and are well described by the weak-coupling model of Bansal and French. The derived parameters agree with averaged values of a similar analysis for the single-particle states in the corresponding odd-even neighbours. The data indicate a significant change of the particle-hole energies with closure of the proton f{7}/{2} shell.

Multicore-shell nanofiber architecture of polyimide/polyvinylidene fluoride blend for thermal and long-term stability of lithium ion battery separator.

PubMed

Park, Sejoon; Son, Chung Woo; Lee, Sungho; Kim, Dong Young; Park, Cheolmin; Eom, Kwang Sup; Fuller, Thomas F; Joh, Han-Ik; Jo, Seong Mu

2016-11-11

Li-ion battery, separator, multicoreshell structure, thermal stability, long-term stability. A nanofibrous membrane with multiple cores of polyimide (PI) in the shell of polyvinylidene fluoride (PVdF) was prepared using a facile one-pot electrospinning technique with a single nozzle. Unique multicore-shell (MCS) structure of the electrospun composite fibers was obtained, which resulted from electrospinning a phase-separated polymer composite solution. Multiple PI core fibrils with high molecular orientation were well-embedded across the cross-section and contributed remarkable thermal stabilities to the MCS membrane. Thus, no outbreaks were found in its dimension and ionic resistance up to 200 and 250 °C, respectively. Moreover, the MCS membrane (at ~200 °C), as a lithium ion battery (LIB) separator, showed superior thermal and electrochemical stabilities compared with a widely used commercial separator (~120 °C). The average capacity decay rate of LIB for 500 cycles was calculated to be approximately 0.030 mAh/g/cycle. This value demonstrated exceptional long-term stability compared with commercial LIBs and with two other types (single core-shell and co-electrospun separators incorporating with functionalized TiO 2 ) of PI/PVdF composite separators. The proper architecture and synergy effects of multiple PI nanofibrils as a thermally stable polymer in the PVdF shell as electrolyte compatible polymers are responsible for the superior thermal performance and long-term stability of the LIB.

Multicore-shell nanofiber architecture of polyimide/polyvinylidene fluoride blend for thermal and long-term stability of lithium ion battery separator

PubMed Central

Park, Sejoon; Son, Chung Woo; Lee, Sungho; Kim, Dong Young; Park, Cheolmin; Eom, Kwang Sup; Fuller, Thomas F.; Joh, Han-Ik; Jo, Seong Mu

2016-01-01

Li-ion battery, separator, multicoreshell structure, thermal stability, long-term stability. A nanofibrous membrane with multiple cores of polyimide (PI) in the shell of polyvinylidene fluoride (PVdF) was prepared using a facile one-pot electrospinning technique with a single nozzle. Unique multicore-shell (MCS) structure of the electrospun composite fibers was obtained, which resulted from electrospinning a phase-separated polymer composite solution. Multiple PI core fibrils with high molecular orientation were well-embedded across the cross-section and contributed remarkable thermal stabilities to the MCS membrane. Thus, no outbreaks were found in its dimension and ionic resistance up to 200 and 250 °C, respectively. Moreover, the MCS membrane (at ~200 °C), as a lithium ion battery (LIB) separator, showed superior thermal and electrochemical stabilities compared with a widely used commercial separator (~120 °C). The average capacity decay rate of LIB for 500 cycles was calculated to be approximately 0.030 mAh/g/cycle. This value demonstrated exceptional long-term stability compared with commercial LIBs and with two other types (single core-shell and co-electrospun separators incorporating with functionalized TiO2) of PI/PVdF composite separators. The proper architecture and synergy effects of multiple PI nanofibrils as a thermally stable polymer in the PVdF shell as electrolyte compatible polymers are responsible for the superior thermal performance and long-term stability of the LIB. PMID:27833132

Design of 8-ft-Diameter Barrel Test Article Attachment Rings for Shell Buckling Knockdown Factor Project

NASA Technical Reports Server (NTRS)

Lovejoy, Andrew E.; Hilburger, Mark W.

2010-01-01

The Shell Buckling Knockdown Factor (SBKF) project includes the testing of sub-scale cylinders to validate new shell buckling knockdown factors for use in the design of the Ares-I and Ares-V launch vehicles. Test article cylinders represent various barrel segments of the Ares-I and Ares-V vehicles, and also include checkout test articles. Testing will be conducted at Marshall Space Flight Center (MSFC) for test articles having an eight-foot diameter outer mold line (OML) and having lengths that range from three to ten feet long. Both ends of the test articles will be connected to the test apparatus using attachment rings. Three multiple-piece and one single-piece design for the attachment rings were developed and analyzed. The single-piece design was chosen and will be fabricated from either steel or aluminum (Al) depending on the required safety factors (SF) for test hardware. This report summarizes the design and analysis of these attachment ring concepts.

Single-neutron orbits near 78Ni: Spectroscopy of the N = 49 isotope 79Zn

DOE PAGES

Orlandi, R.; Mücher, D.; Raabe, R.; ...

2014-12-09

Single-neutron states in the Z=30, N=49 isotope 79Zn have been populated using the 78Zn(d, p) 79Zn transfer reaction at REX-ISOLDE, CERN. The experimental setup allowed the combined detection of protons ejected in the reaction, and of γ rays emitted by 79Zn. The analysis reveals that the lowest excited states populated in the reaction lie at approximately 1 MeV of excitation, and involve neutron orbits above the N=50 shell gap. From the analysis of γ -ray data and of proton angular distributions, characteristic of the amount of angular momentum transferred, a 5/2 + configuration was assigned to a state at 983more » keV. Comparison with large-scale-shell-model calculations supports a robust neutron N=50 shell-closure for 78Ni. Finally, these data constitute an important step towards the understanding of the magicity of 78Ni and of the structure of nuclei in the region.« less

The single-ion anisotropy effects in the mixed-spin ternary-alloy

NASA Astrophysics Data System (ADS)

Albayrak, Erhan

2018-04-01

The effect of single-ion anisotropy on the thermal properties of the ternary-alloy in the form of ABpC1-p is investigated on the Bethe lattice (BL) in terms of exact recursion relations. The simulation on the BL consists of placing A atoms (spin-1/2) on the odd shells and randomly placing B (spin-3/2) or C (spin-5/2) atoms with concentrations p and 1 - p, respectively, on the even shells. The phase diagrams are calculated in possible planes spanned by the system parameters: temperature, single-ion anisotropy, concentration and ratio of the bilinear interaction parameters for z = 3 corresponding to the honeycomb lattice. It is found that the crystal field drives the system to the lowest possible state therefore reducing the temperatures of the critical lines in agreement with the literature.

A detailed view of the gas shell around R Sculptoris with ALMA

NASA Astrophysics Data System (ADS)

Maercker, M.; Vlemmings, W. H. T.; Brunner, M.; De Beck, E.; Humphreys, E. M.; Kerschbaum, F.; Lindqvist, M.; Olofsson, H.; Ramstedt, S.

2016-02-01

Context. During the asymptotic giant branch (AGB) phase, stars undergo thermal pulses - short-lived phases of explosive helium burning in a shell around the stellar core. Thermal pulses lead to the formation and mixing-up of new elements to the stellar surface. They are hence fundamental to the chemical evolution of the star and its circumstellar envelope. A further consequence of thermal pulses is the formation of detached shells of gas and dust around the star, several of which have been observed around carbon-rich AGB stars. Aims: We aim to determine the physical properties of the detached gas shell around R Sculptoris, in particular the shell mass and temperature, and to constrain the evolution of the mass-loss rate during and after a thermal pulse. Methods: We analyse 12CO(1-0), 12CO(2-1), and 12CO(3-2) emission, observed with the Atacama Large Millimeter/submillimeter Array (ALMA) during Cycle 0 and complemented by single-dish observations. The spatial resolution of the ALMA data allows us to separate the detached shell emission from the extended emission inside the shell. We perform radiative transfer modelling of both components to determine the shell properties and the post-pulse mass-loss properties. Results: The ALMA data show a gas shell with a radius of 19.̋5 expanding at 14.3 km s-1. The different scales probed by the ALMA Cycle 0 array show that the shell must be entirely filled with gas, contrary to the idea of a detached shell. The comparison to single-dish spectra and radiative transfer modelling confirms this. We derive a shell mass of 4.5 × 10-3 M⊙ with a temperature of 50 K. Typical timescales for thermal pulses imply a pulse mass-loss rate of 2.3 × 10-5 M⊙ yr-1. For the post-pulse mass-loss rate, we find evidence for a gradual decline of the mass-loss rate, with an average value of 1.6 × 10-5 M⊙ yr-1. The total amount of mass lost since the last thermal pulse is 0.03 M⊙, a factor four higher compared to classical models, with a sharp decline in mass-loss rate immediately after the pulse. Conclusions: We find that the mass-loss rate after a thermal pulse has to decline more slowly than generally expected from models of thermal pulses. This may cause the star to lose significantly more mass during a thermal pulse cycle, which affects the lifetime on the AGB and the chemical evolution of the star, its circumstellar envelope, and the interstellar medium.

Neutron knockout from 68,70Ni ground and isomeric states.

NASA Astrophysics Data System (ADS)

Recchia, F.; Weisshaar, D.; Gade, A.; Tostevin, J. A.; Janssens, R. V. F.; Albers, M.; Bader, V. M.; Baugher, T.; Bazin, D.; Berryman, J. S.; Brown, B. A.; Campbell, C. M.; Carpenter, M. P.; Chen, J.; Chiara, C. J.; Crawford, H. L.; Hoffman, C. R.; Kondev, F. G.; Korichi, A.; Langer, C.; Lauritsen, T.; Liddick, S. N.; Lunderberg, E.; Noji, S.; Prokop, C.; Stroberg, S. R.; Suchyta, S.; Wimmer, K.; Zhu, S.

2018-02-01

Neutron-rich isotopes are an important source of new information on nuclear physics. Specifically, the spin-isospin components in the nucleon-nucleon (NN) interaction, e.g., the proton-neutron tensor force, are expected to modify shell structure in exotic nuclei. These potential changes in the intrinsic shell structure are of fundamental interest. The study of the excitation energy of states corresponding to specific configurations in even-even isotopes, together with the single-particle character of the first excited states of odd-A, neutron-rich Ni isotopes, probes the evolution of the neutron orbitals around the Fermi surface as a function of the neutron number a step forward in the understanding of the region and the nature of the NN interaction at large N/Z ratios. In an experiment carried out at the National Superconducting Cyclotron Laboratory [1], new spectroscopic information was obtained for 68Ni and the distribution of single-particle strengths in 67,69Ni was characterized by means of single-neutron knockout from 68,70Ni secondary beams. The spectroscopic strengths, deduced from the measured partial cross sections to the individual states tagged by their de-exciting gamma rays, is used to identify and quantify configurations that involve neutron excitations across the N = 40 harmonic oscillator shell closure. The de-excitation γ rays were measured with the GRETINA tracking array [2]. The results challenge the validity of the most current shell-model Hamiltonians and effective interactions, highlighting shortcomings that cannot yet be explained. These results suggest that our understanding of the low-energy states in such nuclei is not complete and requires further investigation.

Controlling energy transfer between multiple dopants within a single nanoparticle

PubMed Central

DiMaio, Jeffrey R.; Sabatier, Clément; Kokuoz, Baris; Ballato, John

2008-01-01

Complex core-shell architectures are implemented within LaF3 nanoparticles to allow for a tailored degree of energy transfer (ET) between different rare earth dopants. By constraining specific dopants to individual shells, their relative distance to one another can be carefully controlled. Core-shell LaF3 nanoparticles doped with Tb3+ and Eu3+ and consisting of up to four layers were synthesized with an outer diameter of ≈10 nm. It is found that by varying the thicknesses of an undoped layer between a Tb3+-doped layer and a Eu3+-doped layer, the degree of ET can be engineered to allow for zero, partial, or total ET from a donor ion to an acceptor ion. More specifically, the ratio of the intensities of the 541-nm Tb3+ and 590 nm Eu3+ peaks was tailored from <0.2 to ≈2.4 without changing the overall composition of the particles but only by changing the internal structure. Further, the emission spectrum of a blend of singly doped nanoparticles is shown to be equivalent to the spectra of co-doped particles when a core-shell configuration that restricts ET is used. Beyond simply controlling ET, which can be limiting when designing materials for optical applications, this approach can be used to obtain truly engineered spectral features from nanoparticles and composites made from them. Further, it allows for a single excitation source to yield multiple discrete emissions from numerous lanthanide dopants that heretofore would have been quenched in a more conventional active optical material. PMID:18250307

SU-E-J-71: Spatially Preserving Prior Knowledge-Based Treatment Planning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, H; Xing, L

2015-06-15

Purpose: Prior knowledge-based treatment planning is impeded by the use of a single dose volume histogram (DVH) curve. Critical spatial information is lost from collapsing the dose distribution into a histogram. Even similar patients possess geometric variations that becomes inaccessible in the form of a single DVH. We propose a simple prior knowledge-based planning scheme that extracts features from prior dose distribution while still preserving the spatial information. Methods: A prior patient plan is not used as a mere starting point for a new patient but rather stopping criteria are constructed. Each structure from the prior patient is partitioned intomore » multiple shells. For instance, the PTV is partitioned into an inner, middle, and outer shell. Prior dose statistics are then extracted for each shell and translated into the appropriate Dmin and Dmax parameters for the new patient. Results: The partitioned dose information from a prior case has been applied onto 14 2-D prostate cases. Using prior case yielded final DVHs that was comparable to manual planning, even though the DVH for the prior case was different from the DVH for the 14 cases. Solely using a single DVH for the entire organ was also performed for comparison but showed a much poorer performance. Different ways of translating the prior dose statistics into parameters for the new patient was also tested. Conclusion: Prior knowledge-based treatment planning need to salvage the spatial information without transforming the patients on a voxel to voxel basis. An efficient balance between the anatomy and dose domain is gained through partitioning the organs into multiple shells. The use of prior knowledge not only serves as a starting point for a new case but the information extracted from the partitioned shells are also translated into stopping criteria for the optimization problem at hand.« less

Universal empirical fit to L-shell X-ray production cross sections in ionization by protons

NASA Astrophysics Data System (ADS)

Lapicki, G.; Miranda, J.

2018-01-01

A compilation published in 2014, with a recent 2017 update, contains 5730 experimental total L-shell X-ray production cross sections (XRPCS). The database covers an energy range from 10 keV to 1 GeV, and targets from 18Ar to 95Am. With only two adjustable parameters, universal fit to these data normalized to XRPCS calculated at proton velocity v1 equal to the electron velocity in the L-shell v2L, is obtained in terms of a single ratio of v1/v2L. This fit reproduces 97% of the compiled XRPCS to within a factor of 2.

Ultraviolet Communication for Medical Applications

DTIC Science & Technology

2012-06-01

battlefield casualty care. UVC Plasma-shells were fabricated and tested as optical emitter components in the solar blind 200-280 nm UVC region, and were... solar -blind (SB) UVC region (200–280 nm). IST’s proprietary UVC-emitting Plasma-shells are successfully demonstrated in a breadboard system. At this...enclosure and removable filter. Single-crystal solar blind filters provide exceptional rejection but are extremely expensive, ruling out the Ofil filters SB

Multilevel Optimization Framework for Hierarchical Stiffened Shells Accelerated by Adaptive Equivalent Strategy

NASA Astrophysics Data System (ADS)

Wang, Bo; Tian, Kuo; Zhao, Haixin; Hao, Peng; Zhu, Tianyu; Zhang, Ke; Ma, Yunlong

2017-06-01

In order to improve the post-buckling optimization efficiency of hierarchical stiffened shells, a multilevel optimization framework accelerated by adaptive equivalent strategy is presented in this paper. Firstly, the Numerical-based Smeared Stiffener Method (NSSM) for hierarchical stiffened shells is derived by means of the numerical implementation of asymptotic homogenization (NIAH) method. Based on the NSSM, a reasonable adaptive equivalent strategy for hierarchical stiffened shells is developed from the concept of hierarchy reduction. Its core idea is to self-adaptively decide which hierarchy of the structure should be equivalent according to the critical buckling mode rapidly predicted by NSSM. Compared with the detailed model, the high prediction accuracy and efficiency of the proposed model is highlighted. On the basis of this adaptive equivalent model, a multilevel optimization framework is then established by decomposing the complex entire optimization process into major-stiffener-level and minor-stiffener-level sub-optimizations, during which Fixed Point Iteration (FPI) is employed to accelerate convergence. Finally, the illustrative examples of the multilevel framework is carried out to demonstrate its efficiency and effectiveness to search for the global optimum result by contrast with the single-level optimization method. Remarkably, the high efficiency and flexibility of the adaptive equivalent strategy is indicated by compared with the single equivalent strategy.

Synthesis of upconversion nanoparticles conjugated with graphene oxide quantum dots and their use against cancer cell imaging and photodynamic therapy.

PubMed

Choi, Seung Yoo; Baek, Seung Hoon; Chang, Sung-Jin; Song, Yohan; Rafique, Rafia; Lee, Kang Taek; Park, Tae Jung

2017-07-15

Multifunctional nanocomposite has a huge potential for cell imaging, drug delivery, and improving therapeutic effect with less side effects. To date, diverse approaches have been demonstrated to endow a single nanostructure with multifunctionality. Herein, we report the synthesis and application of core-shell nanoparticles composed with upconversion nanoparticle (UCNP) as a core and a graphene oxide quantum dot (GOQD) as a shell. The UCNP was prepared and applied for imaging-guided analyses of upconversion luminescence. GOQD was prepared and employed as promising drug delivery vehicles to improve anti-tumor therapy effect in this study. Unique properties of UCNPs and GOQDs were incorporated into a single nanostructure to provide desirable functions for cell imaging and drug delivery. In addition, hypocrellin A (HA) was loaded on GOQDs for photo-dynamic therapy (PDT). HA, a commonly used chemotherapy drug and a photo-sensitizer, was conjugated with GOQD by π-π interaction and loaded on PEGylated UCNP without complicated synthetic process, which can break structure of HA. Applying these core-shell nanoparticles to MTT assay, we demonstrated that the UCNPs with GOQD shell loaded with HA could be excellent candidates as multifunctional agents for cell imaging, drug delivery and cell therapy. Copyright © 2016 Elsevier B.V. All rights reserved.

Hierarchically Enhanced Impact Resistance of Bioinspired Composites.

PubMed

Gu, Grace X; Takaffoli, Mahdi; Buehler, Markus J

2017-07-01

An order of magnitude tougher than nacre, conch shells are known for being one of the toughest body armors in nature. However, the complexity of the conch shell architecture creates a barrier to emulating its cross-lamellar structure in synthetic materials. Here, a 3D biomimetic conch shell prototype is presented, which can replicate the crack arresting mechanisms embedded in the natural architecture. Through an integrated approach combining simulation, additive manufacturing, and drop tower testing, the function of hierarchy in conch shell's multiscale microarchitectures is explicated. The results show that adding the second level of cross-lamellar hierarchy can boost impact performance by 70% and 85% compared to a single-level hierarchy and the stiff constituent, respectively. The overarching mechanism responsible for the impact resistance of conch shell is the generation of pathways for crack deviation, which can be generalized to the design of future protective apparatus such as helmets and body armor. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

In situ passivation of GaAsP nanowires.

PubMed

Himwas, C; Collin, S; Rale, P; Chauvin, N; Patriarche, G; Oehler, F; Julien, F H; Travers, L; Harmand, J-C; Tchernycheva, M

2017-12-08

We report on the structural and optical properties of GaAsP nanowires (NWs) grown by molecular-beam epitaxy. By adjusting the alloy composition in the NWs, the transition energy was tuned to the optimal value required for tandem III-V/silicon solar cells. We discovered that an unintentional shell was also formed during the GaAsP NW growth. The NW surface was passivated by an in situ deposition of a radial Ga(As)P shell. Different shell compositions and thicknesses were investigated. We demonstrate that the optimal passivation conditions for GaAsP NWs (with a gap of 1.78 eV) are obtained with a 5 nm thick GaP shell. This passivation enhances the luminescence intensity of the NWs by 2 orders of magnitude and yields a longer luminescence decay. The luminescence dynamics changes from single exponential decay with a 4 ps characteristic time in non-passivated NWs to a bi-exponential decay with characteristic times of 85 and 540 ps in NWs with GaP shell passivation.

Antiferromagnetic exchange coupling measurements on single Co clusters

NASA Astrophysics Data System (ADS)

Wernsdorfer, W.; Leroy, D.; Portemont, C.; Brenac, A.; Morel, R.; Notin, L.; Mailly, D.

2009-03-01

We report on single-cluster measurements of the angular dependence of the low-temperature ferromagnetic core magnetization switching field in exchange-coupled Co/CoO core-shell clusters (4 nm) using a micro-bridge DC superconducting quantum interference device (μ-SQUID). It is observed that the coupling with the antiferromagnetic shell induces modification in the switching field for clusters with intrinsic uniaxial anisotropy depending on the direction of the magnetic field applied during the cooling. Using a modified Stoner-Wohlfarth model, it is shown that the core interacts with two weakly coupled and asymmetrical antiferromagnetic sublattices. Ref.: C. Portemont, R. Morel, W. Wernsdorfer, D. Mailly, A. Brenac, and L. Notin, Phys. Rev. B 78, 144415 (2008)

A novel "modularized" optical sensor for pH monitoring in biological matrixes.

PubMed

Liu, Xun; Zhang, Shang-Qing; Wei, Xing; Yang, Ting; Chen, Ming-Li; Wang, Jian-Hua

2018-06-30

A novel core-shell structure optical pH sensor is developed with upconversion nanoparticles (UCNPs) serving as the core and silica as the shell, followed by grafting bovineserumalbumin (BSA) as another shell via glutaraldehyde cross-linking. The obtained core-shell-shell structure is shortly termed as UCNPs@SiO 2 @BSA, and its surface provides a platform for loading various pH sensitive dyes, which are alike "modules" to make it feasible for measuring pHs within different pH ranges by simply regulating the type of dyes. Generally, a single pH sensitive dye is adopted to respond within a certain pH range. This study employs bromothymol blue (BTB) and rhodamine B (RhB) to facilitate their responses to pH variations within two ranges, i.e., pH 5.99-8.09 and pH 4.98-6.40, respectively, with detection by ratio-fluorescence protocol. The core-shell-shell structure offers superior sensitivity, which is tens of times more sensitive than those achieved by ratio-fluorescence approaches based on various nanostructures, and favorable stability is achieved in high ionic strength medium. In addition, this sensor exhibits superior photostability under continuous excitation at 980 nm. Thanks to the near infrared excitation in the core-shell-shell structure, it effectively avoids the self-fluorescence from biological samples and thus facilitates accurate sensing of pH in various biological sample matrixes. Copyright © 2018 Elsevier B.V. All rights reserved.

Effects of pollution on land snail abundance, size and diversity as resources for pied flycatcher, Ficedula hypoleuca.

PubMed

Eeva, Tapio; Rainio, Kalle; Suominen, Otso

2010-09-01

Passerine birds need extra calcium during their breeding for developing egg shells and proper growth of nestling skeleton. Land snails are an important calcium source for many passerines and human-induced changes in snail populations may pose a severe problem for breeding birds. We studied from the bird's viewpoint how air pollution affects the shell mass, abundance and diversity of land snail communities along a pollution gradient of a copper smelter. We sampled remnant snail shells from the nests of an insectivorous passerine, the pied flycatcher, Ficedula hypoleuca, to find out how the availability of land snails varies along the pollution gradient. The total snail shell mass increased towards the pollution source but declined abruptly in the vicinity of the smelter. This spatial variation in shell mass was evident also within a single snail species and could not be wholly explained by spatially varying snail numbers or species composition. Instead, the total shell mass was related to their shell size, individuals being largest at the moderately polluted areas. Smaller shell size suggests inferior growth of snails in the most heavily polluted area. Our study shows that pollution affects the diversity, abundance (available shell mass) and individual quality of land snails, posing reproductive problems for birds that rely on snails as calcium sources during breeding. There are probably both direct pollution-related (heavy metal and calcium levels) and indirect (habitat change) effects behind the observed changes in snail populations. Copyright 2010 Elsevier B.V. All rights reserved.

Enhanced Ethanol Gas Sensing Properties of SnO2-Core/ZnO-Shell Nanostructures

PubMed Central

Tharsika, T.; Haseeb, A. S. M. A.; Akbar, Sheikh A.; Sabri, Mohd Faizul Mohd; Hoong, Wong Yew

2014-01-01

An inexpensive single-step carbon-assisted thermal evaporation method for the growth of SnO2-core/ZnO-shell nanostructures is described, and the ethanol sensing properties are presented. The structure and phases of the grown nanostructures are investigated by field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. XRD analysis indicates that the core-shell nanostructures have good crystallinity. At a lower growth duration of 15 min, only SnO2 nanowires with a rectangular cross-section are observed, while the ZnO shell is observed when the growth time is increased to 30 min. Core-shell hierarchical nanostructures are present for a growth time exceeding 60 min. The growth mechanism for SnO2-core/ZnO-shell nanowires and hierarchical nanostructures are also discussed. The sensitivity of the synthesized SnO2-core/ZnO-shell nanostructures towards ethanol sensing is investigated. Results show that the SnO2-core/ZnO-shell nanostructures deposited at 90 min exhibit enhanced sensitivity to ethanol. The sensitivity of SnO2-core/ZnO-shell nanostructures towards 20 ppm ethanol gas at 400 °C is about ∼5-times that of SnO2 nanowires. This improvement in ethanol gas response is attributed to high active sensing sites and the synergistic effect of the encapsulation of SnO2 by ZnO nanostructures. PMID:25116903

Polarization mode beating techniques for high-sensitivity intracavity sensing

NASA Astrophysics Data System (ADS)

Rosales-Garcia, Andrea

Several industries, including semiconductor, space, defense, medical, chemical and homeland security, demand precise and accurate measurements in the nanometer and sub-nanometer scale. Optical interferometers have been widely investigated due to its dynamic-range, non-contact and high-precision features. Although commercially available interferometers can have sub-nanometer resolution, the practical accuracy exceeds the nanometer range. The fast development of nanotechnology requires more sensitive, reliable, compact and lower cost alternatives than those in existence. This work demonstrates a compact, versatile, accurate and cost-effective fiber laser sensor based on intracavity polarization mode beating (PMB) techniques for monitoring intracavity phase changes with very high sensitivity. Fiber resonators support two orthogonal polarization modes that can behave as two independent lasing channels within the cavity. The fiber laser incorporates an intracavity polarizing beamsplitter that allows for adjusting independently the polarization modes. The heterodyne detection of the laser output produces a beating (PMB) signal, whose frequency is a function of the phase difference between the polarization modes. The optical phase difference is transferred from the optical frequency to a much lower frequency and thus electronic methods can be used to obtain very precise measurements. Upon changing the pathlength of one mode, changes iu the PMB frequency can be effectively measured. Furthermore, since the polarization nodes share the same cavity, the PMB technique provides a simple means to achieve suppression of common mode noise and laser source instabilities. Frequency changes of the PMB signal are evaluated as a function of displacement, intracavity pressure and air density. Refractive index changes of 10 -9 and sub-nanometer displacement measurements are readily attained. Increased refractive index sensitivity and sub-picometer displacement can be reached owing to the high finesse and resolution of the system. Experimental changes in the refractive index of air as a function of pressure are in good agreement with theoretical predictions. An alternative fiber laser configuration, which incorporates non-reciprocal elements, allows measuring the optical activity of enantiomeric mixtures using PMB techniques. The sensitivity attained through PMB techniques demonstrates a potential method for ultra-sensitive biochemical sensing and explosive detection.

Periodic buckling of constrained cylindrical elastic shells

NASA Astrophysics Data System (ADS)

Marthelot, Joel; Brun, Pierre-Thomas; Lopez Jimenez, Francisco; Reis, Pedro M.

We revisit the classic problem of buckling of a thin cylindrical elastic shell loaded either by pneumatic depressurization or axial compression. The control of the resulting dimpled pattern is achieved by using a concentric inner rigid mandrel that constrains and stabilizes the post-buckling response. Under axial compression, a regular lattice of diamond-like dimples appears sequentially on the surface of the shell to form a robust spatially extended periodic pattern. Under pressure loading, a periodic array of ridges facets the surface of the elastic cylindrical shell. The sharpness of these ridges can be readily varied and controlled through a single scalar parameter, the applied pressure. A combination of experiments, simulations and scaling analyses is used to rationalize the combined role of geometry and mechanics in the nucleation and evolution of the diamond-like dimples and ridges networks.

Electrostatics-driven assembly of uni-lamellar catanionic facetted vesicles

NASA Astrophysics Data System (ADS)

Leung, Cheuk-Yui; Palmer, Liam; Kewalramani, Sumit; Sknepnek, Rastko; Vernizzi, Graziano; Greenfield, Megan; Stupp, Samuel; Bedzyk, Michael; Olvera de La Cruz, Monica

2012-02-01

Nature utilizes shape to generate function. Organelle and halophilic bacteria wall envelopes, for example, adopt various polyhedral shapes to compartmentalize matter. The origin of these shapes is unknown. A large variety of shell geometries, either fully faceted polyhedra or mixed Janus-like vesicles with faceted and curved domains that resemble cellular shells can be generated by coassembling water-insoluble anionic (--1) amphiphiles with high valence cationic (+2 and +3) amphiphiles. Electron microscopy, X-ray scattering, theory and simulations demonstrate that the resulting faceted ionic shells are crystalline, and stable at high salt concentrations. The crystallization of the co-assembled single tail amphiphiles is induced by ionic correlations, and modified by the solution pH. This work promotes the design of faceted shapes for various applications and improves our understanding of the origin of polyhedral shells in nature.

Double-shell target fabrication workshop-2016 report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y. Morris; Oertel, John; Farrell, Michael

On June 30, 2016, over 40 representatives from Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), General Atomics (GA), Laboratory for Laser Energetics (LLE), Schafer Corporation, and NNSA headquarter attended a double-shell (DS) target fabrication workshop at Livermore, California. Pushered-single-shell (PSS) and DS metalgas platforms potentially have a large impact on programmatic applications. The goal of this focused workshop is to bring together target fabrication scientists, physicists, and designers to brainstorm future PSS and DS target fabrication needs and strategies. This one-day workshop intends to give an overall view of historical information, recent approaches, and future research activitiesmore » at each participating organization. Five topical areas have been discussed that are vital to the success of future DS target fabrications, including inner metal shells, foam spheres, outer ablators, fill tube assembly, and metrology.« less

Core and shell size dependences on strain in core@shell Prussian blue analogue (PBA) nanoparticles and the effect on photomagnetism.

NASA Astrophysics Data System (ADS)

Cain, J. M.; Ferreira, C. F.; Felts, A. C.; Locicero, S. A.; Liang, J.; Talham, D. R.; Meisel, M. W.

RbxCo[Fe(CN)6]y@Ka Ni[Cr(CN)6]b core@shell heterostructures have been shown to exhibit a photoinduced decrease in magnetization that persists up to the Tc = 70 K of the KNiCr-PBA component, which is not photoactive as a single-phase material. A magnetomechanical effect can explain how the strain in the shell evolves from thermal and photoinduced changes in the volume of the core. Moreover, a simple model has been used to estimate the depth of the strained region of the shell, but only one size of core (347 +/- 35 nm) has been studied. Since the strain depth in the shell is expected to be dependent on the size of the core, three distinct RbCoFe-PBA core sizes were synthesized, and on each, three different KNiCr-PBA shell thicknesses were grown. The magnetization of each core-shell combination was measured before and after irradiation with white light. Our results suggest the strain depth, as expected, increases from 56 nm in heterostructures with a core size of 328 +/- 29 nm to more than 90 nm in heterostructures with a core size of 575 +/- 113 nm. The data from the smallest core size also shows features indicating the model may be too simple. Supported by NSF DMR-1405439 (DRT) and DMR-1202033 (MWM).

Estimates of Heritability for Growth and Shell Color Traits and Their Genetic Correlations in the Black Shell Strain of Pacific Oyster Crassostrea gigas.

PubMed

Xu, Lan; Li, Qi; Yu, Hong; Kong, Lingfeng

2017-10-01

The Pacific oyster Crassostrea gigas has been introduced widely and massively and became an economically important aquaculture species on a global scale. We estimated heritabilities of growth and shell color traits and their genetic correlations in black shell strain of C. gigas. Analyses were performed on 22 full-sib families in a nested mating design including 410 individuals at harvest (24 months of age). The parentage assignment was inferred based on four panels of multiplex PCR markers including 10 microsatellite loci and 94.9% of the offspring were unambiguously assigned to single parent pairs. The Spearman correlation test (r = - 0.992, P < 0.001) demonstrated the high consistency of the shell pigmentation (SP) and L* and their same efficacy in shell color measurements. The narrow-sense heritability estimated under the animal model analysis was 0.18 ± 0.12 for shell height, 0.25 ± 0.16 for shell length, 0.10 ± 0.09 for shell width, 0.42 ± 0.20 for total weight, 0.32 ± 0.18 for shell weight, and 0.68 ± 0.16 for L*, 0.69 ± 0.16 for shell pigmentation, respectively. The considerable additive genetic variation in growth and shell color traits will make it feasible to produce genetic improvements for these traits in selective breeding program. High genetic and phenotypic correlations were found among growth traits and among shell color traits. To optimize a selection strategy for both fast growth and pure dark shell strain of C. gigas, it is proposed to take both total weight and black shell as joint objective traits in selective breeding program. Our study offers an important reference in the process of selective breeding in black shell color stain of C. gigas and will facilitate to develop favorable breeding strategies of genetic improvements for this economically important strain.

Disentangling the history of complex multi-phased shell beds based on the analysis of 3D point cloud data

NASA Astrophysics Data System (ADS)

Harzhauser, Mathias; Djuricic, Ana; Mandic, Oleg; Dorninger, Peter; Nothegger, Clemens; Székely, Balázs; Molnár, Gábor; Pfeifer, Norbert

2015-04-01

Shell beds are key features in sedimentary records throughout the Phanerozoic. The interplay between burial rates and population productivity is reflected in distinct degrees of shelliness. Consequently, shell beds may provide informations on various physical processes, which led to the accumulation and preservation of hard parts. Many shell beds pass through a complex history of formation being shaped by more than one factor. In shallow marine settings, the composition of shell beds is often strongly influenced by winnowing, reworking and transport. These processes may cause considerable time averaging and the accumulation of specimens, which have lived thousands of years apart. In the best case, the environment remained stable during that time span and the mixing does not mask the overall composition. A major obstacle for the interpretation of shell beds, however, is the amalgamation of shell beds of several depositional units in a single concentration, as typically for tempestites and tsunamites. Disentangling such mixed assemblages requires deep understanding of the ecological requirements of the taxa involved - which is achievable for geologically young shell beds with living relatives - and a statistic approach to quantify the contribution by the various death assemblages. Furthermore it requires understanding of sedimentary processes potentially involved into their formation. Here we present the first attempt to describe and decipher such a multi-phase shell-bed based on a high resolution digital surface model (1 mm) combined with ortho-photos with a resolution of 0.5 mm per pixel. Documenting the oyster reef requires precisely georeferenced data; owing to high redundancy of the point cloud an accuracy of a few mm was achieved. The shell accumulation covers an area of 400 m2 with thousands of specimens, which were excavated by a three months campaign at Stetten in Lower Austria. Formed in an Early Miocene estuary of the Paratethys Sea it is mainly composed of shells of the giant oyster Crassostrea gryphoides along with numerous other bivalves, gastropods and barnacles. More than 10.000 objects were outlined on the digital surface model and characterized in respect to taxonomy, convex up/down position, left/right shell, orientation, fragmentation and several other features. The outlines and attribute data were stored in a georeferenced ArcGIS database. Already the first analyses and visualizations of the obtained data-sets pointed out different degrees of taxon distribution, composition, and taphonomic grade allowing an identification of at least four discrete ecosystem/depositional phases now amalgamated in a single shell-bed. Based on examples from the present research the presentation will demonstrate enormous potential of high resolution terrestrial laser scanning in paleontology and sedimentology. Representing a pioneering study, lessons have been learned about the benefits as well as the limitations of its application for taphonomic studies. The project is supported by the Austrian Science Fund (FWF P 25883-N29).

Comparative study of the double-K -shell-vacancy production in single- and double-electron-capture decay

NASA Astrophysics Data System (ADS)

Ratkevich, S. S.; Gangapshev, A. M.; Gavrilyuk, Yu. M.; Karpeshin, F. F.; Kazalov, V. V.; Kuzminov, V. V.; Panasenko, S. I.; Trzhaskovskaya, M. B.; Yakimenko, S. P.

2017-12-01

Background: A double-K -electron capture is a rare nuclear-atomic process in which two K electrons are captured simultaneously from the atomic shell. A "hollow atom" is created as a result of this process. In single-K -shell electron-capture decays, there is a small probability that the second electron in the K shell is excited to an unoccupied level or can (mostly) be ejected to the continuum. In either case, a double vacancy is created in the K shell. The relaxation of the double-K -shell vacancy, accompanied by the emission of two K -fluorescence photons, makes it possible to perform experimental studies of such rare processes with the large-volume proportional gas chamber. Purpose: The purpose of the present analysis is to estimate a double-K -shell vacancy creation probability per K -shell electron capture PK K of 81Kr, as well as to measure the half-life of 78Kr relative to 2 ν 2 K capture. Method: Time-resolving current pulse from the large low-background proportional counter (LPC), filled with the krypton sample, was applied to detect triple coincidences of "shaked" electrons and two fluorescence photons. Results: The number of K -shell vacancies per the K -electron capture, produced as a result of the shake-off process, has been measured for the decay of 81Kr. The probability for this decay was found to be PK K=(5.7 ±0.8 ) ×10-5 with a systematic error of (ΔPKK) syst=±0.4 ×10-5 . For the 78Kr(2 ν 2 K ) decay, the comparative study of single- and double-capture decays allowed us to obtain the signal-to-background ratio up to 15/1. The half-life T1/2 2 ν 2 K(g .s .→g .s .) =[1 .9-0.7+1.3(stat) ±0.3 (syst) ] ×1022 y is determined from the analysis of data that have been accumulated over 782 days of live measurements in the experiment that used samples consisted of 170.6 g of 78Kr. Conclusions: The data collected during low background measurements using the LPC were analyzed to search the rare atomic and nuclear processes. We have determined PKK exp for the E C decay of 81Kr, which are in satisfactory agreement with Z-2 dependence of PK K predicted by Primakoff and Porter. This made possible to more accurately determine the background contribution in the energy region of our interest for the search for the 2 K capture in 78Kr. The general procedure of data analysis allowed us to determine the half-life of 78Kr relative to 2 ν 2 K transition with a greater statistical accuracy than in our previous works.

Foraminiferal single chamber analyses of heavy metals as a tool for monitoring permanent and short term anthropogenic footprints.

PubMed

Titelboim, Danna; Sadekov, Aleksey; Hyams-Kaphzan, Orit; Almogi-Labin, Ahuva; Herut, Barak; Kucera, Michal; Abramovich, Sigal

2018-03-01

In order to establish environmentally sustainable industries there is a need for high-resolution temporal and spatial monitoring of heavy metal pollutants even at low concentrations before they become hazardous for local ecosystems. Here we present single chamber records of Cu, Zn and Pb in shells of two benthic foraminifera species with different shell types from two shallow coastal stations in Israel: An area adjacent to an electrical power plant and desalination factory (Hadera) and an industrially free nature reserve (Nachsholim). Records of both foraminifera species show elevated metal concentrations in Hadera clearly identifying the footprint of the local industrial facilities. Moreover, short-term events of elevated Cu and Pb concentrations were detected by single chamber analyses. This study demonstrates the potential of using heavy metals anomalies in foraminiferal single chambers as a tool for detecting the industrial footprint of coastal facilities as well as short term events of elevated heavy metals. Copyright © 2018 Elsevier Ltd. All rights reserved.

Conversion of Biowaste Asian Hard Clam (Meretrix lusoria) Shells into White-Emitting Phosphors for Use in Neutral White LEDs.

PubMed

Chang, Tsung-Yuan; Wang, Chih-Min; Lin, Tai-Yuan; Lin, Hsiu-Mei

2016-12-02

The increasing volume and complexity of waste associated with the modern economy poses a serious risk to ecosystems and human health. However, the remanufacturing and recycling of waste into usable products can lead to substantial resource savings. In the present study, clam shell waste was first transformed into pure and well-crystallized single-phase white light-emitting phosphor Ca₉Gd(PO₄)₇:Eu 2+ ,Mn 2+ materials. The phosphor Ca₉Gd(PO₄)₇:Eu 2+ ,Mn 2+ materials were synthesized by the solid-state reaction method and the carbothermic reduction process, and then characterized and analyzed by means of X-ray diffraction (XRD) and photoluminescence (PL) measurements. The structural and luminescent properties of the phosphors were investigated as well. The PL and quantum efficiency measurements showed that the luminescence properties of clam shell-based phosphors were comparable to that of the chemically derived phosphors. Moreover, white light-emitting diodes were fabricated through the integration of 380 nm chips and single-phase white light-emitting phosphors (Ca 0.979 Eu 0.006 Mn 0.015 )₉Gd(PO₄)₇ into a single package of a white light emitting diode (WLED) emitting a neutral white light of 5298 K with color coordinates of (0.337, 0.344).

Conversion of Biowaste Asian Hard Clam (Meretrix lusoria) Shells into White-Emitting Phosphors for Use in Neutral White LEDs

PubMed Central

Chang, Tsung-Yuan; Wang, Chih-Min; Lin, Tai-Yuan; Lin, Hsiu-Mei

2016-01-01

The increasing volume and complexity of waste associated with the modern economy poses a serious risk to ecosystems and human health. However, the remanufacturing and recycling of waste into usable products can lead to substantial resource savings. In the present study, clam shell waste was first transformed into pure and well-crystallized single-phase white light-emitting phosphor Ca9Gd(PO4)7:Eu2+,Mn2+ materials. The phosphor Ca9Gd(PO4)7:Eu2+,Mn2+ materials were synthesized by the solid-state reaction method and the carbothermic reduction process, and then characterized and analyzed by means of X-ray diffraction (XRD) and photoluminescence (PL) measurements. The structural and luminescent properties of the phosphors were investigated as well. The PL and quantum efficiency measurements showed that the luminescence properties of clam shell-based phosphors were comparable to that of the chemically derived phosphors. Moreover, white light-emitting diodes were fabricated through the integration of 380 nm chips and single-phase white light-emitting phosphors (Ca0.979Eu0.006Mn0.015)9Gd(PO4)7 into a single package of a white light emitting diode (WLED) emitting a neutral white light of 5298 K with color coordinates of (0.337, 0.344). PMID:28774101

Microwave pyrolysis using self-generated pyrolysis gas as activating agent: An innovative single-step approach to convert waste palm shell into activated carbon

NASA Astrophysics Data System (ADS)

Yek, Peter Nai Yuh; Keey Liew, Rock; Shahril Osman, Mohammad; Chung Wong, Chee; Lam, Su Shiung

2017-11-01

Waste palm shell (WPS) is a biomass residue largely available from palm oil industries. An innovative microwave pyrolysis method was developed to produce biochar from WPS while the pyrolysis gas generated as another product is simultaneously used as activating agent to transform the biochar into waste palm shell activated carbon (WPSAC), thus allowing carbonization and activation to be performed simultaneously in a single-step approach. The pyrolysis method was investigated over a range of process temperature and feedstock amount with emphasis on the yield and composition of the WPSAC obtained. The WPSAC was tested as dye adsorbent in removing methylene blue. This pyrolysis approach provided a fast heating rate (37.5°/min) and short process time (20 min) in transforming WPS into WPSAC, recording a product yield of 40 wt%. The WPSAC was detected with high BET surface area (≥ 1200 m2/g), low ash content (< 5 wt%), and high pore volume (≥ 0.54 cm3/g), thus recording high adsorption efficiency of 440 mg of dye/g. The desirable process features (fast heating rate, short process time) and the recovery of WPSAC suggest the exceptional promise of the single-step microwave pyrolysis approach to produce high-grade WPSAC from WPS.

DOE Office of Scientific and Technical Information (OSTI.GOV)

SAMS TL; GUILLOT S

Scoping laboratory scale tests were performed at the Chemical Engineering Department of the Georgia Institute of Technology (Georgia Tech), and the Hanford 222-S Laboratory, involving double-shell tank (DST) and single-shell tank (SST) Hanford waste simulants. These tests established the viability of the Lithium Hydrotalcite precipitation process as a solution to remove aluminum and recycle sodium hydroxide from the Hanford tank waste, and set the basis of a validation test campaign to demonstrate a Technology Readiness Level of 3.

The role of chemical structure on the magnetic and electronic properties of Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/Si(111) interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuerbanjiang, Balati; Nedelkoski, Zlatko; Ghasemi, Arsham

2016-04-25

We show that Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} film deposited on Si(111) has a single crystal structure and twin related epitaxial relationship with the substrate. Sub-nanometer electron energy loss spectroscopy shows that in a narrow interface region there is a mutual inter-diffusion dominated by Si and Co. Atomic resolution aberration-corrected scanning transmission electron microscopy reveals that the film has B2 ordering. The film lattice structure is unaltered even at the interface due to the substitutional nature of the intermixing. First-principles calculations performed using structural models based on the aberration corrected electron microscopy show that the increased Si incorporation in the filmmore » leads to a gradual decrease of the magnetic moment as well as significant spin-polarization reduction. These effects can have significant detrimental role on the spin injection from the Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} film into the Si substrate, besides the structural integrity of this junction.« less

Fault-tolerant rotary actuator

DOEpatents

Tesar, Delbert

2006-10-17

A fault-tolerant actuator module, in a single containment shell, containing two actuator subsystems that are either asymmetrically or symmetrically laid out is provided. Fault tolerance in the actuators of the present invention is achieved by the employment of dual sets of equal resources. Dual resources are integrated into single modules, with each having the external appearance and functionality of a single set of resources.

Nearly Blinking-Free, High-Purity Single-Photon Emission by Colloidal InP/ZnSe Quantum Dots.

PubMed

Chandrasekaran, Vigneshwaran; Tessier, Mickaël D; Dupont, Dorian; Geiregat, Pieter; Hens, Zeger; Brainis, Edouard

2017-10-11

Colloidal core/shell InP/ZnSe quantum dots (QDs), recently produced using an improved synthesis method, have a great potential in life-science applications as well as in integrated quantum photonics and quantum information processing as single-photon emitters. Single-particle spectroscopy of 10 nm QDs with 3.2 nm cores reveals strong photon antibunching attributed to fast (70 ps) Auger recombination of multiple excitons. The QDs exhibit very good photostability under strong optical excitation. We demonstrate that the antibunching is preserved when the QDs are excited above the saturation intensity of the fundamental-exciton transition. This result paves the way toward their usage as high-purity on-demand single-photon emitters at room temperature. Unconventionally, despite the strong Auger blockade mechanism, InP/ZnSe QDs also display very little luminescence intermittency ("blinking"), with a simple on/off blinking pattern. The analysis of single-particle luminescence statistics places these InP/ZnSe QDs in the class of nearly blinking-free QDs, with emission stability comparable to state-of-the-art thick-shell and alloyed-interface CdSe/CdS, but with improved single-photon purity.

Catalytic performance of M@Ni (M = Fe, Ru, Ir) core-shell nanoparticles towards ammonia decomposition for CO x -free hydrogen production

NASA Astrophysics Data System (ADS)

Chen, Xin; Zhou, Junwei; Chen, Shuangjing; Zhang, Hui

2018-06-01

To reduce the use of precious metals and maintain the catalytic activity for NH3 decomposition reaction, it is an effective way to construct bimetallic nanoparticles with special structures. In this paper, by using density functional theory methods, we investigated NH3 decomposition reaction on three types of core-shell nanoparticles M@Ni (M = Fe, Ru, Ir) with 13 core M atoms and 42 shell Ni atoms. The size of these three particles is about 1 nm. Benefit from alloying with Ru in this nanocluster, Ru@Ni core-shell nanoparticles exhibit catalytic activity comparable to that of single metal Ru, based on the analysis of the adsorption energy and potential energy diagram of NH3 decomposition, as well as N2 desorption processes. However, as for Fe@Ni and Ir@Ni core-shell nanoparticles, their catalytic activities are still unsatisfactory compared to the active metal Ru. In addition, in order to further explain the synergistic effect of bimetallic core-shell nanoparticles, the partial density of states were also calculated. The results show that d-band electrons provided by the core metal are the main factors affecting the entire catalytic process.

Emissions analysis on diesel engine fuelled with cashew nut shell biodiesel and pentanol blends.

PubMed

Devarajan, Yuvarajan; Munuswamy, Dinesh Babu; Nagappan, BeemKumar

2017-05-01

The present work is intended to investigate the emission characteristics of neat cashew nut shell methyl ester (CNSME100) by adding pentanol at two different proportions and compared with the baseline diesel. CNSME100 is prepared by the conventional transesterification process. CNSME100 is chosen due to its non-edible nature. Pentanol is chosen as an additive because of its higher inbuilt oxygen content and surface to volume ratio which reduces the drawbacks of neat CNSME100. Emission characteristics were carried out in single cylinder naturally aspirated CI engine fuelled with neat cashew nut shell methyl ester (CNSME), cashew nut shell methyl ester and pentanol by 10% volume (CNSME90P10), cashew nut shell methyl ester and pentanol by 20% volume (CNSME80P20), and diesel. This work also aims to investigate the feasibility of operating an engine fuelled with neat methyl ester and alcohol blends. Experimental results showed that by blending higher alcohol to neat cashew nut shell methyl ester reduces the emissions significantly. It is also found that the emission from neat methyl ester and pentanol blends is lesser than diesel at all loads.

Transport properties of Sb doped Si nanowires

NASA Astrophysics Data System (ADS)

Nukala, Prathyusha; Sapkota, Gopal; Gali, Pradeep; Usha, Philipose

2011-10-01

n-type Si nanowires were synthesized at ambient pressure using SiCl4 as Si source and Sb source as the dopant. Sb doping of 3-4 wt % was achieved through a post growth diffusion technique. The nanowires were found to have an amorphous oxide shell that developed post-growth; the thickness of the shell is estimated to be about 3-4 nm. The composition of the amorphous shell covering the crystalline Si core was determined by Raman spectroscopy, with evidence that the shell was an amorphous oxide layer. Optical characterization of the as-grown nanowires showed green emission, attributed to the presence of the oxide shell covering the Si nanowire core. Etching of the oxide shell was found to decrease the intensity of this green emission. A single undoped Si nanowire contacted in an FET type configuration was found to be p-type with channel mobility of 20 cm^2V-1S-1. Sb doped Si nanowires exhibited n-type behavior, compensating for the holes in the undoped nanowire. The doped nanowires had carrier mobility and concentration of 160 cm^2V-1S-1 and 9.6 x 10^18cm-3 respectively.

Fuel cell performance of palladium-platinum core-shell electrocatalysts synthesized in gram-scale batches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khateeb, Siddique; Su, Dong; Guerreo, Sandra

This article presents the performance of palladium-platinum core-shell catalysts (Pt/Pd/C) for oxygen reduction synthesized in gram-scale batches in both liquid cells and polymer-electrolyte membrane fuel cells. Core-shell catalyst synthesis and characterization, ink fabrication, and cell assembly details are discussed. The Pt mass activity of the Pt/Pd core-shell catalyst was 0.95 A mg –1 at 0.9 V measured in liquid cells (0.1 M HClO4), which was 4.8 times higher than a commercial Pt/C catalyst. The performances of Pt/Pd/C and Pt/C in large single cells (315 cm 2) were assessed under various operating conditions. The core-shell catalyst showed consistently higher performance thanmore » commercial Pt/C in fuel cell testing. A 20–60 mV improvement across the whole current density range was observed on air. Sensitivities to temperature, humidity, and gas composition were also investigated and the core-shell catalyst showed a consistent benefit over Pt under all conditions. However, the 4.8 times activity enhancement predicated by liquid cell measurements was not fully realized in fuel cells.« less

Open source integrated modeling environment Delta Shell

NASA Astrophysics Data System (ADS)

Donchyts, G.; Baart, F.; Jagers, B.; van Putten, H.

2012-04-01

In the last decade, integrated modelling has become a very popular topic in environmental modelling since it helps solving problems, which is difficult to model using a single model. However, managing complexity of integrated models and minimizing time required for their setup remains a challenging task. The integrated modelling environment Delta Shell simplifies this task. The software components of Delta Shell are easy to reuse separately from each other as well as a part of integrated environment that can run in a command-line or a graphical user interface mode. The most components of the Delta Shell are developed using C# programming language and include libraries used to define, save and visualize various scientific data structures as well as coupled model configurations. Here we present two examples showing how Delta Shell simplifies process of setting up integrated models from the end user and developer perspectives. The first example shows coupling of a rainfall-runoff, a river flow and a run-time control models. The second example shows how coastal morphological database integrates with the coastal morphological model (XBeach) and a custom nourishment designer. Delta Shell is also available as open-source software released under LGPL license and accessible via http://oss.deltares.nl.

Fuel cell performance of palladium-platinum core-shell electrocatalysts synthesized in gram-scale batches

DOE PAGES

Khateeb, Siddique; Su, Dong; Guerreo, Sandra; ...

2016-05-03

This article presents the performance of palladium-platinum core-shell catalysts (Pt/Pd/C) for oxygen reduction synthesized in gram-scale batches in both liquid cells and polymer-electrolyte membrane fuel cells. Core-shell catalyst synthesis and characterization, ink fabrication, and cell assembly details are discussed. The Pt mass activity of the Pt/Pd core-shell catalyst was 0.95 A mg –1 at 0.9 V measured in liquid cells (0.1 M HClO4), which was 4.8 times higher than a commercial Pt/C catalyst. The performances of Pt/Pd/C and Pt/C in large single cells (315 cm 2) were assessed under various operating conditions. The core-shell catalyst showed consistently higher performance thanmore » commercial Pt/C in fuel cell testing. A 20–60 mV improvement across the whole current density range was observed on air. Sensitivities to temperature, humidity, and gas composition were also investigated and the core-shell catalyst showed a consistent benefit over Pt under all conditions. However, the 4.8 times activity enhancement predicated by liquid cell measurements was not fully realized in fuel cells.« less

An Aeroelastic Evaluation of the Flexible Thermal Protection System for an Inatable Aerodynamic Decelerator

NASA Astrophysics Data System (ADS)

Goldman, Benjamin D.

The purpose of this dissertation is to study the aeroelastic stability of a proposed flexible thermal protection system (FTPS) for the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). A flat, square FTPS coupon exhibits violent oscillations during experimental aerothermal testing in NASA's 8 Foot High Temperature Tunnel, leading to catastrophic failure. The behavior of the structural response suggested that aeroelastic flutter may be the primary instability mechanism, prompting further experimental investigation and theoretical model development. Using Von Karman's plate theory for the panel-like structure and piston theory aerodynamics, a set of aeroelastic models were developed and limit cycle oscillations (LCOs) were calculated at the tunnel flow conditions. Similarities in frequency content of the theoretical and experimental responses indicated that the observed FTPS oscillations were likely aeroelastic in nature, specifically LCO/flutter. While the coupon models can be used for comparison with tunnel tests, they cannot predict accurately the aeroelastic behavior of the FTPS in atmospheric flight. This is because the geometry of the flight vehicle is no longer a flat plate, but rather (approximately) a conical shell. In the second phase of this work, linearized Donnell conical shell theory and piston theory aerodynamics are used to calculate natural modes of vibration and flutter dynamic pressures for various structural models composed of one or more conical shells resting on several circumferential elastic supports. When the flight vehicle is approximated as a single conical shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case, as "hump-mode" flutter is possible. Aeroelastic models that consider the individual FTPS layers as separate shells exhibit asymmetric flutter at high dynamic pressures relative to the single shell models. Parameter studies also examine the effects of tension, shear modulus reduction, and elastic support stiffness. Limitations of a linear structural model and piston theory aerodynamics prompted a more elaborate evaluation of the flight configuration. Using nonlinear Donnell conical shell theory for the FTPS structure, the pressure buckling and aeroelastic limit cycle oscillations were studied for a single elastically-supported conical shell. While piston theory was used initially, a time-dependent correction factor was derived using transform methods and potential flow theory to calculate more accurately the low Mach number supersonic flow. Three conical shell geometries were considered: a 3-meter diameter 70° shell, a 3.7-meter 70° shell, and a 6-meter diameter 70° shell. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD vehicle. Though agreement between theoretical and experimental strains was poor, circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With piston theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with piston theory alone. In the final phase of this work, the existing linear and nonlinear FTPS shell models were coupled with NASA's FUN3D Reynolds Averaged Navier Stokes CFD code, allowing for the most physically realistic flight predictions. For the linear shell structural model, the elastically-supported shell natural modes were mapped to a CFD grid of a 6-meter HIAD vehicle, and a linear structural dynamics solver internal to the CFD code was used to compute the aeroelastic response. Aerodynamic parameters for a proposed HIAD re-entry trajectory were obtained, and aeroelastic solutions were calculated at three points in the trajectory: Mach 1, Mach 2, and Mach 11 (peak dynamic pressure). No flutter was found at any of these conditions using the linear method, though oscillations (of uncertain origin) on the order of the shell thickness may be possible in the transonic regime. For the nonlinear shell structural model, a set of assumed sinusoidal modes were mapped to the CFD grid, and the linear structural dynamics equations were replaced by a nonlinear ODE solver for the conical shell equations. Successful calculation and restart of the nonlinear dynamic aeroelastic solutions was demonstrated. Preliminary results indicated that dynamic instabilities may be possible at Mach 1 and 2, with a completely stable solution at Mach 11, though further study is needed. A major benefit of this implementation is that the coefficients and mode shapes for the nonlinear conical shell may be replaced with those of other types of structures, greatly expanding the aeroelastic capabilities of FUN3D.

Near-Unity Quantum Yields of Biexciton Emission from CdSe=CdS Nanocrystals Measured Using Single-Particle Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Young-Shin; Malko, Anton V.; Vela, Javier

2011-05-03

Biexciton photoluminescence (PL) quantum yields (Q 2X) of individual CdSe/CdS core-shell nanocrystal quantum dots with various shell thicknesses are derived from independent PL saturation and two-photon correlation measurements. We observe a near-unity Q{sub 2X} for some nanocrystals with an ultrathick 19-monolayer shell. High Q 2X’s are, however, not universal and vary widely among nominally identical nanocrystals indicating a significant dependence of Q 2X upon subtle structural differences. Interestingly, our measurements indicate that high Q 2X’s are not required to achieve complete suppression of PL intensity fluctuations in individual nanocrystals.

Recent progress in hollow sphere-based electrodes for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Zhao, Yan; Chen, Min; Wu, Limin

2016-08-01

Hollow spheres have drawn much attention in the area of energy storage and conversion, especially in high-performance supercapacitors owing to their well-defined morphologies, uniform size, low density and large surface area. And quite some significant breakthroughs have been made in advanced supercapacitor electrode materials with hollow sphere structures. In this review, we summarize and discuss the synthesis and application of hollow spheres with controllable structure and morphology as electrode materials for supercapacitors. First, we briefly introduce the fabrication strategies of hollow spheres for electrode materials. Then, we discuss in detail the recent advances in various hollow sphere-based electrode materials for supercapacitors, including single-shelled, yolk-shelled, urchin-like, double-shelled, multi-shelled, and mesoporous hollow structure-based symmetric and asymmetric supercapacitor devices. We conclude this review with some perspectives on the future research and development of the hollow sphere-based electrode materials.

Presence and dehydration of ikaite, calcium carbonate hexahydrate, in frozen shrimp shell.

PubMed

Mikkelsen, A; Andersen, A B; Engelsen, S B; Hansen, H C; Larsen, O; Skibsted, L H

1999-03-01

Ikaite, calcium carbonate hexahydrate, has by means of X-ray diffraction analyses of frozen samples been identified as the mineral component of the white spots formed in the shell of frozen shrimp during storage. When the shrimp thaw and the shell material is dried and kept at room temperature, ikaite rapidly transforms into a mixture of anhydrous calcium carbonate forms. X-ray diffraction analyses and Raman spectra of synthetic ikaite as well as the dehydration product confirm the assignments, and the rate constant for dehydration is approximately 7 x 10(-)(4) s(-)(1) at ambient temperature. Differential scanning calorimetry showed that dehydration of synthetic ikaite is an entropy-driven, athermal process and confirms that a single first-order reaction is rate-determining. Ikaite is found to be stable in aqueous solution at temperatures below 5 degrees C and in the shell of frozen shrimps but decomposes on thawing to form anhydrous calcium carbonates.

Recent progress in hollow sphere-based electrodes for high-performance supercapacitors.

PubMed

Zhao, Yan; Chen, Min; Wu, Limin

2016-08-26

Hollow spheres have drawn much attention in the area of energy storage and conversion, especially in high-performance supercapacitors owing to their well-defined morphologies, uniform size, low density and large surface area. And quite some significant breakthroughs have been made in advanced supercapacitor electrode materials with hollow sphere structures. In this review, we summarize and discuss the synthesis and application of hollow spheres with controllable structure and morphology as electrode materials for supercapacitors. First, we briefly introduce the fabrication strategies of hollow spheres for electrode materials. Then, we discuss in detail the recent advances in various hollow sphere-based electrode materials for supercapacitors, including single-shelled, yolk-shelled, urchin-like, double-shelled, multi-shelled, and mesoporous hollow structure-based symmetric and asymmetric supercapacitor devices. We conclude this review with some perspectives on the future research and development of the hollow sphere-based electrode materials.

Thermogravimetric characterization and gasification of pecan nut shells.

PubMed

Aldana, Hugo; Lozano, Francisco J; Acevedo, Joaquín; Mendoza, Alberto

2015-12-01

This study focuses on the evaluation of pecan nut shells as an alternative source of energy through pyrolysis and gasification. The physicochemical characteristics of the selected biomass that can influence the process efficiency, consumption rates, and the product yield, as well as create operational problems, were determined. In addition, the thermal decomposition kinetics necessary for prediction of consumption rates and yields were determined. Finally, the performance of a downdraft gasifier fed with pecan nut shells was analyzed in terms of process efficiency and exit gas characteristics. It was found that the pyrolytic decomposition of the nut shells can be modeled adequately using a single equation considering two independent parallel reactions. The performance of the gasification process can be influenced by the particle size and air flow rate, requiring a proper combination of these parameters for reliable operation and production of a valuable syngas. Copyright © 2015 Elsevier Ltd. All rights reserved.

Internal structure of InP/ZnS nanocrystals unraveled by high-resolution soft X-ray photoelectron spectroscopy.

PubMed

Huang, Kai; Demadrille, Renaud; Silly, Mathieu G; Sirotti, Fausto; Reiss, Peter; Renault, Olivier

2010-08-24

High-energy resolution photoelectron spectroscopy (DeltaE < 200 meV) is used to investigate the internal structure of semiconductor quantum dots containing low Z-contrast elements. In InP/ZnS core/shell nanocrystals synthesized using a single-step procedure (core and shell precursors added at the same time), a homogeneously alloyed InPZnS core structure is evidenced by quantitative analysis of their In3d(5/2) spectra recorded at variable excitation energy. When using a two-step method (core InP nanocrystal synthesis followed by subsequent ZnS shell growth), XPS analysis reveals a graded core/shell interface. We demonstrate the existence of In-S and S(x)-In-P(1-x) bonding states in both types of InP/ZnS nanocrystals, which allows a refined view on the underlying reaction mechanisms.

A broadening temperature sensitivity range with a core-shell YbEr@YbNd double ratiometric optical nanothermometer

NASA Astrophysics Data System (ADS)

Marciniak, L.; Prorok, K.; Francés-Soriano, L.; Pérez-Prieto, J.; Bednarkiewicz, A.

2016-02-01

The chemical architecture of lanthanide doped core-shell up-converting nanoparticles can be engineered to purposely design the properties of luminescent nanomaterials, which are typically inaccessible to their homogeneous counterparts. Such an approach allowed to shift the up-conversion excitation wavelength from ~980 to the more relevant ~808 nm or enable Tb or Eu up-conversion emission, which was previously impossible to obtain or inefficient. Here, we address the issue of limited temperature sensitivity range of optical lanthanide based nano-thermometers. By covering Yb-Er co-doped core nanoparticles with the Yb-Nd co-doped shell, we have intentionally combined temperature dependent Er up-conversion together with temperature dependent Nd --> Yb energy transfer, and thus have expanded the temperature response range ΔT of a single nanoparticle based optical nano-thermometer under single ~808 nm wavelength photo-excitation from around ΔT = 150 K to over ΔT = 300 K (150-450 K). Such engineered nanocrystals are suitable for remote optical temperature measurements in technology and biotechnology at the sub-micron scale.The chemical architecture of lanthanide doped core-shell up-converting nanoparticles can be engineered to purposely design the properties of luminescent nanomaterials, which are typically inaccessible to their homogeneous counterparts. Such an approach allowed to shift the up-conversion excitation wavelength from ~980 to the more relevant ~808 nm or enable Tb or Eu up-conversion emission, which was previously impossible to obtain or inefficient. Here, we address the issue of limited temperature sensitivity range of optical lanthanide based nano-thermometers. By covering Yb-Er co-doped core nanoparticles with the Yb-Nd co-doped shell, we have intentionally combined temperature dependent Er up-conversion together with temperature dependent Nd --> Yb energy transfer, and thus have expanded the temperature response range ΔT of a single nanoparticle based optical nano-thermometer under single ~808 nm wavelength photo-excitation from around ΔT = 150 K to over ΔT = 300 K (150-450 K). Such engineered nanocrystals are suitable for remote optical temperature measurements in technology and biotechnology at the sub-micron scale. Electronic supplementary information (ESI) available: Characterization, structural and morphological characterization of nanocrystals, the measurement setup. See DOI: 10.1039/c5nr08223d

Influences of external vs. core-shell mixing on aerosol optical properties at various relative humidities.

PubMed

Ramachandran, S; Srivastava, Rohit

2013-05-01

Aerosol optical properties of external and core-shell mixtures of aerosol species present in the atmosphere are calculated in this study for different relative humidities. Core-shell Mie calculations are performed using the values of radii, refractive indices and densities of aerosol species that act as core and shell, and the core-shell radius ratio. The single scattering albedo (SSA) is higher when the absorbing species (black carbon, BC) is the core, while for a sulfate core SSA does not vary significantly as the BC in the shell dominates the absorption. Absorption gets enhanced in core-shell mixing of absorbing and scattering aerosols when compared to their external mixture. Thus, SSA is significantly lower for a core-shell mixture than their external mixture. SSA is more sensitive to core-shell ratio than mode radius when BC is the core. The extinction coefficient, SSA and asymmetry parameter are higher for external mixing when compared to BC (core)-water soluble aerosol (shell), and water soluble aerosol (core)-BC (shell) mixtures in the relative humidity range of 0 to 90%. Spectral SSA exhibits the behaviour of the species which acts as a shell in core-shell mixing. The asymmetry parameter for an external mixture of water soluble aerosol and BC is higher than BC (core)-water soluble aerosol (shell) mixing and increases as function of relative humidity. The asymmetry parameter for the water soluble aerosol (core)-BC (shell) is independent of relative humidity as BC is hydrophobic. The asymmetry parameter of the core-shell mixture decreases when BC aerosols are involved in mixing, as the asymmetry parameter of BC is lower. Aerosol optical depth (AOD) of core-shell mixtures increases at a higher rate when the relative humidity exceeds 70% in continental clean and urban aerosol models, whereas AOD remains the same when the relative humidity exceeds 50% in maritime aerosol models. The SSA for continental aerosols varies for core-shell mixing of water soluble aerosol (core)-shell (BC) when compared to their external mixture, while the SSA for maritime aerosols does not vary significantly for different mixing scenarios because of the dominance of sea salt aerosols. Thus, these results confirm that aerosol mixing can modify the physical and optical characteristics of aerosols, which vary as a function of relative humidity. These calculations will be useful in parameterising the effect of core-shell vs. external mixing of aerosols in global climate models, and in the evaluation of aerosol radiative effects.

Size-selective reactivity of subnanometer Ag 4 and Ag 16 clusters on a TiO 2 surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Po-Tuan; Tyo, Eric C.; Hayashi, Michitoshi

Size-selected Ag 4 and Ag 16 clusters on a titania surface have been studied for their potential in CO oxidation using theoretical calculations and X-ray absorption near edge spectroscopy. The first peak at the measured Ag K-edge of Ag 16@TiO 2 is more prominent in air than in carbon monoxide environment, but no variation was found between the spectra of Ag 4@TiO 2 in air and in carbon monoxide environments. Density functional theory calculations show a preference for molecular oxygen adsorption for Ag 4@TiO 2 and that for a dissociative one on Ag 16@TiO 2, while carbon monoxide reactions withmore » adsorbed oxygen reduced the Ag 16@TiO 2 cluster. The dissociated oxygen atoms increased the oxidation state of Ag 16 cluster and resulted in the prominent first peak in Ag K-edge spectrum in quasi-particle theory calculations, with the subsequent carbon monoxide oxidation reversing the character of Ag K-edge spectrum associated with the reduction of the cluster. Finally, the results provide insight into the size selectivity of supported subnanometer silver clusters in their interactions with oxygen and carbon monoxide, with implications on the cluster catalytic properties in oxidative reactions.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Platero-Prats, Ana E.; Li, Zhanyong; Gallington, Leighanne C.

Here, we explore the dynamic structure and reactivity of Cu species supported on NU-1000. By combining pair distribution function (PDF) analysis and difference envelope density (DED) analysis ofin situsynchrotron-based X-ray scattering data, we simultaneously probe the local structure of supported Cu-species, their distribution within NU-1000 and distortions of the NU-1000 lattice under conditions relevant to catalysis and catalyst activation. Our analyses show that atomic layer deposition (ALD) of Cu in NU-1000 (Cu-AIM) leads to the formation of Cu-oxo clusters within the small pores that connect the triangular and hexagonal channels. Exposure of Cu-AIM to a reducing atmosphere at 200 °Cmore » produces metallic Cu 0of two distinct particle sizes: ~4 nm nanoparticles and small sub-nanometer clusters. The size of these nanoparticles appears to be constrained by NU-1000 pore dimensions, with evidence of the sub-nanometer clusters being bound within the triangular channels flanked by pyrene rings. This supported Cu 0–NU-1000 system is catalytically active for gas-phase ethylene hydrogenation. Exposure of the catalyst to oxidative atmosphere re-oxidises the Cu species to a Cu 2O cuprite phase. The dynamic restructuring of the system in different chemical environments underscores the importance of probing these systemsin situ.« less

A general approach to homogeneous sub-nanometer metallic particle/graphene composites by S-coordinator

NASA Astrophysics Data System (ADS)

Wang, Senhao; Wang, Wei; Gu, Shangzhi; Zhang, Guoxin; Song, Ningning

2018-05-01

In this study, sulphur-modified reduced graphene oxide (S-rGO) was employed as substrate to investigate the growth mechanism of metal and metallic nanoparticles (NPs). It is observed that the monodispersed Au, SnO2, FeO(OH) and Co3S4 NPs in sub-nanometer (sub-nm) with narrow size distribution were successfully anchored on S-rGO, respectively. The results indicate that the S contained radicals, viz. the Cdbnd S and Csbnd Ssbnd C functional groups play an important role in determining the homogeneous distribution of NPs on S-rGO by providing active sites for the NPs anchoring and nucleation. In additional, as anode materials for lithium ion batteries (LIBs), the as-synthesized sub-nm sized Co3S4/S-rGO and SnO2/S-rGO composites show excellent Li storage performance. It could be stabilized at ca. 600 mAh/g after formation cycle with the coulombic efficiency of 98%. It is expected that the strategy of growing sub-nm sized metallic component onto graphene by applying sulphur functionalities could be utilized as a general method to prepare monodispersed graphene-based NPs with other metals, especially with transition metals in sub-nm sizes.

Size-selective reactivity of subnanometer Ag 4 and Ag 16 clusters on a TiO 2 surface

DOE PAGES

Chen, Po-Tuan; Tyo, Eric C.; Hayashi, Michitoshi; ...

2017-03-08

Size-selected Ag 4 and Ag 16 clusters on a titania surface have been studied for their potential in CO oxidation using theoretical calculations and X-ray absorption near edge spectroscopy. The first peak at the measured Ag K-edge of Ag 16@TiO 2 is more prominent in air than in carbon monoxide environment, but no variation was found between the spectra of Ag 4@TiO 2 in air and in carbon monoxide environments. Density functional theory calculations show a preference for molecular oxygen adsorption for Ag 4@TiO 2 and that for a dissociative one on Ag 16@TiO 2, while carbon monoxide reactions withmore » adsorbed oxygen reduced the Ag 16@TiO 2 cluster. The dissociated oxygen atoms increased the oxidation state of Ag 16 cluster and resulted in the prominent first peak in Ag K-edge spectrum in quasi-particle theory calculations, with the subsequent carbon monoxide oxidation reversing the character of Ag K-edge spectrum associated with the reduction of the cluster. Finally, the results provide insight into the size selectivity of supported subnanometer silver clusters in their interactions with oxygen and carbon monoxide, with implications on the cluster catalytic properties in oxidative reactions.« less

Non-tenera Contamination and the Economic Impact of SHELL Genetic Testing in the Malaysian Independent Oil Palm Industry

PubMed Central

Ooi, Leslie C.-L.; Low, Eng-Ti L.; Abdullah, Meilina O.; Nookiah, Rajanaidu; Ting, Ngoot C.; Nagappan, Jayanthi; Manaf, Mohamad A. A.; Chan, Kuang-Lim; Halim, Mohd A.; Azizi, Norazah; Omar, Wahid; Murad, Abdul J.; Lakey, Nathan; Ordway, Jared M.; Favello, Anthony; Budiman, Muhammad A.; Van Brunt, Andrew; Beil, Melissa; Leininger, Michael T.; Jiang, Nan; Smith, Steven W.; Brown, Clyde R.; Kuek, Alex C. S.; Bahrain, Shabani; Hoynes-O’Connor, Allison; Nguyen, Amelia Y.; Chaudhari, Hemangi G.; Shah, Shivam A.; Choo, Yuen-May; Sambanthamurthi, Ravigadevi; Singh, Rajinder

2016-01-01

Oil palm (Elaeis guineensis) is the most productive oil bearing crop worldwide. It has three fruit forms, namely dura (thick-shelled), pisifera (shell-less) and tenera (thin-shelled), which are controlled by the SHELL gene. The fruit forms exhibit monogenic co-dominant inheritance, where tenera is a hybrid obtained by crossing maternal dura and paternal pisifera palms. Commercial palm oil production is based on planting thin-shelled tenera palms, which typically yield 30% more oil than dura palms, while pisifera palms are female-sterile and have little to no palm oil yield. It is clear that tenera hybrids produce more oil than either parent due to single gene heterosis. The unintentional planting of dura or pisifera palms reduces overall yield and impacts land utilization that would otherwise be devoted to more productive tenera palms. Here, we identify three additional novel mutant alleles of the SHELL gene, which encode a type II MADS-box transcription factor, and determine oil yield via control of shell fruit form phenotype in a manner similar to two previously identified mutant SHELL alleles. Assays encompassing all five mutations account for all dura and pisifera palms analyzed. By assaying for these variants in 10,224 mature palms or seedlings, we report the first large scale accurate genotype-based determination of the fruit forms in independent oil palm planting sites and in the nurseries that supply them throughout Malaysia. The measured non-tenera contamination rate (10.9% overall on a weighted average basis) underscores the importance of SHELL genetic testing of seedlings prior to planting in production fields. By eliminating non-tenera contamination, comprehensive SHELL genetic testing can improve sustainability by increasing yield on existing planted lands. In addition, economic modeling demonstrates that SHELL gene testing will confer substantial annual economic gains to the oil palm industry, to Malaysian gross national income and to Malaysian government tax receipts. PMID:27446094

Non-tenera Contamination and the Economic Impact of SHELL Genetic Testing in the Malaysian Independent Oil Palm Industry.

PubMed

Ooi, Leslie C-L; Low, Eng-Ti L; Abdullah, Meilina O; Nookiah, Rajanaidu; Ting, Ngoot C; Nagappan, Jayanthi; Manaf, Mohamad A A; Chan, Kuang-Lim; Halim, Mohd A; Azizi, Norazah; Omar, Wahid; Murad, Abdul J; Lakey, Nathan; Ordway, Jared M; Favello, Anthony; Budiman, Muhammad A; Van Brunt, Andrew; Beil, Melissa; Leininger, Michael T; Jiang, Nan; Smith, Steven W; Brown, Clyde R; Kuek, Alex C S; Bahrain, Shabani; Hoynes-O'Connor, Allison; Nguyen, Amelia Y; Chaudhari, Hemangi G; Shah, Shivam A; Choo, Yuen-May; Sambanthamurthi, Ravigadevi; Singh, Rajinder

2016-01-01

Oil palm (Elaeis guineensis) is the most productive oil bearing crop worldwide. It has three fruit forms, namely dura (thick-shelled), pisifera (shell-less) and tenera (thin-shelled), which are controlled by the SHELL gene. The fruit forms exhibit monogenic co-dominant inheritance, where tenera is a hybrid obtained by crossing maternal dura and paternal pisifera palms. Commercial palm oil production is based on planting thin-shelled tenera palms, which typically yield 30% more oil than dura palms, while pisifera palms are female-sterile and have little to no palm oil yield. It is clear that tenera hybrids produce more oil than either parent due to single gene heterosis. The unintentional planting of dura or pisifera palms reduces overall yield and impacts land utilization that would otherwise be devoted to more productive tenera palms. Here, we identify three additional novel mutant alleles of the SHELL gene, which encode a type II MADS-box transcription factor, and determine oil yield via control of shell fruit form phenotype in a manner similar to two previously identified mutant SHELL alleles. Assays encompassing all five mutations account for all dura and pisifera palms analyzed. By assaying for these variants in 10,224 mature palms or seedlings, we report the first large scale accurate genotype-based determination of the fruit forms in independent oil palm planting sites and in the nurseries that supply them throughout Malaysia. The measured non-tenera contamination rate (10.9% overall on a weighted average basis) underscores the importance of SHELL genetic testing of seedlings prior to planting in production fields. By eliminating non-tenera contamination, comprehensive SHELL genetic testing can improve sustainability by increasing yield on existing planted lands. In addition, economic modeling demonstrates that SHELL gene testing will confer substantial annual economic gains to the oil palm industry, to Malaysian gross national income and to Malaysian government tax receipts.

Shell-binary nanoparticle materials with variable electrical and electro-mechanical properties.

PubMed

Zhang, P; Bousack, H; Dai, Y; Offenhäusser, A; Mayer, D

2018-01-18

Nanoparticle (NP) materials with the capability to adjust their electrical and electro-mechanical properties facilitate applications in strain sensing technology. Traditional NP materials based on single component NPs lack a systematic and effective means of tuning their electrical and electro-mechanical properties. Here, we report on a new type of shell-binary NP material fabricated by self-assembly with either homogeneous or heterogeneous arrangements of NPs. Variable electrical and electro-mechanical properties were obtained for both materials. We show that the electrical and electro-mechanical properties of these shell-binary NP materials are highly tunable and strongly affected by the NP species as well as their corresponding volume fraction ratio. The conductivity and the gauge factor of these shell-binary NP materials can be altered by about five and two orders of magnitude, respectively. These shell-binary NP materials with different arrangements of NPs also demonstrate different volume fraction dependent electro-mechanical properties. The shell-binary NP materials with a heterogeneous arrangement of NPs exhibit a peaking of the sensitivity at medium mixing ratios, which arises from the aggregation induced local strain enhancement. Studies on the electron transport regimes and micro-morphologies of these shell-binary NP materials revealed the different mechanisms accounting for the variable electrical and electro-mechanical properties. A model based on effective medium theory is used to describe the electrical and electro-mechanical properties of such shell-binary nanomaterials and shows an excellent match with experiment data. These shell-binary NP materials possess great potential applications in high-performance strain sensing technology due to their variable electrical and electro-mechanical properties.

Water vapor permeability of the rigid-shelled gecko egg.

PubMed

Andrews, Robin M

2012-07-01

The vast majority of squamate reptiles (lizards and snakes) produce parchment-shelled eggs that absorb water during incubation, and thus increase in mass, volume, and surface area. In contrast, females from a single monophyletic lineage of gekkotan lizards produce rigid-shelled eggs. These eggs are functionally comparable to those of birds, that is, at oviposition, eggs contain all the water needed for development, and their mass decreases during incubation via the diffusion of water vapor through the shell. I determined patterns of water loss and shell permeability to water vapor from oviposition to hatching for the rigid-shelled eggs of the gekkonid Chrondrodactylus turneri and compared permeability of C. turneri eggs to those of birds and other squamates. Chrondrodactylus turneri eggs incubated at 28.5°C and 40% relative humidity (RH) decreased in mass by 14% over the course of a 68-day incubation period. The rate of water loss varied during incubation; egg mass decreased rapidly during the first 8 days of incubation, declined at a low constant rate during the next 35 days, and then decreased rapidly during the final 25 days of incubation. Overall permeability was 0.17 mg/day/kPa/cm(2) . Percent water loss of rigid-shelled gecko eggs during incubation is similar to that exhibited by birds, but water vapor permeability is about one-third that of bird eggs and several orders of magnitude lower than that of parchment-shelled squamate eggs. In general, the water economy of their eggs may be associated with the adaptive radiation of the rigid-shelled sphaerodactylid, phyllodactylid, and gekkonid geckos. © 2012 WILEY PERIODICALS, INC.

Contribution of inner shell Compton ionization to the X-ray fluorescence line intensity

NASA Astrophysics Data System (ADS)

Fernández, Jorge E.; Scot, Viviana; Di Giulio, Eugenio

2016-10-01

The Compton effect is a potential ionization mechanism of atoms. It produces vacancies in inner shells that are filled with the same mechanism of atomic relaxation as the one following photo-absorption. This contribution to X-ray fluorescence emission is frequently neglected because the total Compton cross-section is apparently much lower than the photoelectric one at useful X-ray energies. However, a more careful analysis suggests that is necessary to consider single shell cross sections (instead of total cross sections) as a function of energy. In this article these Compton cross sections are computed for the shells K, L1-L3 and M1-M5 in the framework of the impulse approximation. By comparing the Compton and the photoelectric cross-section for each shell it is then possible to determine the extent of the Compton correction to the intensity of the corresponding characteristic lines. It is shown that for the K shell the correction becomes relevant for excitation energies which are too high to be influent in X-ray spectrometry. In contrast, for L and M shells the Compton contribution is relevant for medium-Z elements and medium energies. To illustrate the different grades of relevance of the correction, for each ionized shell, the energies for which the Compton contribution reaches the extent levels of 1, 5, 10, 20, 50 and 100% of the photoelectric one are determined for all the elements with Z = 11-92. For practical applications it is provided a simple formula and fitting coefficients to compute average correction levels for the shells considered.

Tuning the magnetism of ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Viñas, S. Liébana; Simeonidis, K.; Li, Z.-A.; Ma, Z.; Myrovali, E.; Makridis, A.; Sakellari, D.; Angelakeris, M.; Wiedwald, U.; Spasova, M.; Farle, M.

2016-10-01

The importance of magnetic interactions within an individual nanoparticle or between adjacent ones is crucial not only for the macroscopic collective magnetic behavior but for the AC magnetic heating efficiency as well. On this concept, single-(MFe2O4 where M=Fe, Co, Mn) and core-shell ferrite nanoparticles consisting of a magnetically softer (MnFe2O4) or magnetically harder (CoFe2O4) core and a magnetite (Fe3O4) shell with an overall size in the 10 nm range were synthesized and studied for their magnetic particle hyperthermia efficiency. Magnetic measurements indicate that the coating of the hard magnetic phase (CoFe2O4) by Fe3O4 provides a significant enhancement of hysteresis losses over the corresponding single-phase counterpart response, and thus results in a multiplication of the magnetic hyperthermia efficiency opening a novel pathway for high-performance, magnetic hyperthermia agents. At the same time, the existence of a biocompatible Fe3O4 outer shell, toxicologically renders these systems similar to iron-oxide ones with significantly milder side-effects.

Active ester functional single core magnetic nanostructures as a versatile immobilization matrix for effective bioseparation and catalysis.

PubMed

Gelbrich, Thorsten; Reinartz, Michael; Schmidt, Annette M

2010-03-08

Multifunctional nanocarriers for amino functional targets with a high density of accessible binding sites are obtained in a single polymerization step by grafting from copolymerization of an active ester monomer from superparamagnetic cores. As a result of the brush-like structure of the highly dispersed shell, the nano-objects exhibit an available capture capacity for amines that is found to be up to 2 orders of magnitude higher than for commercial magnetic beads, and the functional brush shell can serve as a template for many types of pendant functional groups and molecules. As comonomer, oligo(ethylene glycol) methacrylate allows for excellent water solubility at room temperature, biocompatibility, and thermoflocculation. We demonstrate the biorelated applicability of the hybrid nanoparticles by two different approaches. In the first approach, the immobilization of trypsin to the core-shell nanoparticles results in highly active, nanoparticulate biocatalysts that can easily be separated magnetically. Second, we demonstrate that the obtained nanoparticles are suitable for the effective labeling of cell membranes, opening a novel pathway for the easy and effective isolation of membrane proteins.

Laminated Thin Shell Structures Subjected to Free Vibration in a Hygrothermal Environment

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.; Guptill, James D.

1994-01-01

Parametric studies were performed to assess the effects of various parameters on the free-vibration behavior (natural frequencies) of (+/- theta)(sub 2) angle-ply, fiber composite, thin shell structures in a hygrothermal environment. Knowledge of the natural frequencies of structures is important in considering their response to various kinds of excitation, especially when structures and force systems are complex and when excitations are not periodic. The three dimensional, finite element structural analysis computer code CSTEM was used in the Cray YMP computer environment. The fiber composite shell was assumed to be cylindrical and made from T300 graphite fibers embedded in an intermediate-modulus, high-strength matrix. The following parameters were investigated: the length and the laminate thickness of the shell, the fiber orientation, the fiber volume fraction, the temperature profile through the thickness of the laminate, and laminates with different ply thicknesses. The results indicate that the fiber orientation and the length of the laminated shell had significant effects on the natural frequencies. The fiber volume fraction, the laminate thickness, and the temperature profile through the shell thickness had weak effects on the natural frequencies. Finally, the laminates with different ply thicknesses had an insignificant influence on the behavior of the vibrated laminated shell. Also, a single through-the-thickness, eight-node, three dimensional composite finite element analysis appears to be sufficient for investigating the free-vibration behavior of thin, composite, angle-ply shell structures.

Manganese in the shell of the bivalve Mytilus edulis: Seawater Mn or physiological control?

NASA Astrophysics Data System (ADS)

Freitas, Pedro S.; Clarke, Leon J.; Kennedy, Hilary; Richardson, Christopher A.

2016-12-01

Manganese in the shell calcite of marine bivalves has been suggested to reflect ambient seawater Mn concentrations, thus providing a high-resolution archive of past seawater Mn concentrations. However, a quantitative relationship between seawater Mn and shell Mn/Ca ratios, as well as clear understanding of which process(es) control(s) shell Mn/Ca, are still lacking. Blue mussels, Mytilus edulis, were grown in a one-year duration field experiment in the Menai Strait, U.K., to study the relationship between seawater particulate and dissolved Mn2+ concentrations and shell calcite Mn/Ca ratios. Shell Mn/Ca showed a well-defined intra-annual double-peak, with maximum values during early spring and early summer and low values during autumn and winter. Seawater particulate Mn peaked during winter and autumn, with a series of smaller peaks during spring and summer, whereas dissolved Mn2+ exhibited a marked single maximum during late-spring to early-summer, being low during the remainder of the year. Consequently, neither seawater particulate Mn nor dissolved Mn2+ concentrations explain the intra-annual variation of shell Mn/Ca ratios. A physiological control on shell Mn/Ca ratios is evident from the strong similarity and timing of the double-peaked intra-annual variations of Mn/Ca and shell growth rate (SGR), the latter corresponding to periods of increased metabolic activity (as indicated by respiration rate). It is thus likely that in M. edulis SGR influences shell Mn/Ca by altering the concentration or activity of Mn2+ within the extra-pallial fluid (EPF), by changing the flux of Mn into or the proportion of protein bound Mn within the EPF. By linking shell Mn/Ca ratios to the endogenous and environmental factors that determine growth and metabolic activity, this study helps to explain the lack of a consistent relationship between shell Mn/Ca in marine bivalve shell calcite and seawater particulate and dissolved Mn2+ concentrations. The use of Mn content from M. edulis shell calcite as a proxy for the dissolved and/or particulate Mn concentrations, and thus the biogeochemical processes that control them, remains elusive.

Treatment options for tank farms long-length contaminated equipment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Josephson, W.S.

1995-10-16

This study evaluated a variety of treatment and disposal technologies for mixed waste (MW) meeting the following criteria: 1. Single-Shell and Double-Shell Tank System (tank farms) equipment and other debris; 2. length greater than 12 feet; and contaminated with listed MW from the tank farms. This waste stream, commonly referred to as tank farms long-length contaminated equipment (LLCE), poses a unique and costly set of challenges during all phases of the waste management lifecycle.

Pharmaceutical 3D printing: Design and qualification of a single step print and fill capsule.

PubMed

Smith, Derrick M; Kapoor, Yash; Klinzing, Gerard R; Procopio, Adam T

2018-06-10

Fused deposition modeling (FDM) 3D printing (3DP) has a potential to change how we envision manufacturing in the pharmaceutical industry. A more common utilization for FDM 3DP is to build upon existing hot melt extrusion (HME) technology where the drug is dispersed in the polymer matrix. However, reliable manufacturing of drug-containing filaments remains a challenge along with the limitation of active ingredients which can sustain the processing risks involved in the HME process. To circumvent this obstacle, a single step FDM 3DP process was developed to manufacture thin-walled drug-free capsules which can be filled with dry or liquid drug product formulations. Drug release from these systems is governed by the combined dissolution of the FDM capsule 'shell' and the dosage form encapsulated in these shells. To prepare the shells, the 3D printer files (extension '.gcode') were modified by creating discrete zones, so-called 'zoning process', with individual print parameters. Capsules printed without the zoning process resulted in macroscopic print defects and holes. X-ray computed tomography, finite element analysis and mechanical testing were used to guide the zoning process and printing parameters in order to manufacture consistent and robust capsule shell geometries. Additionally, dose consistencies of drug containing liquid formulations were investigated in this work. Copyright © 2018 Elsevier B.V. All rights reserved.

Synthetical Analysis for Morphology, biological Species, and stable Isotopes (SAMSI) of single-cell planktonic foraminifer

NASA Astrophysics Data System (ADS)

Ujiie, Y.; Kimoto, K.; Ishimura, T.

2017-12-01

Planktonic foraminifers are widely used in the studies of paleontology and paleoceanography, because the morphology of their calcareous shells is enough highly variable to identify the morphospecies and the chemical composition of the shells reflect ambient seawater condition. Although the morphospecies were believed to represent environments associating with latitudinal temperature range of the world ocean, molecular phylogeographic studies have unveiled the presence of multiple biological species in a single morphospecies and their species-specific distributions. This implicates the actual complexity of planktonic foraminiferal ecology. Conversely, these biological species have a high potential for providing novel ecological and environmental information to us. In order to reassess the morphological and geochemical characters of biological species, the DNA extraction method with the guanidium isothiocyanate buffer was developed to preserve the calcareous shells. The present study carefully tested the physical and chemical damages of the DNA extraction process to the shells, by our novel approaches with geochemical analysis of the shells after non-destructive analysis for morphometrics on a same specimen. First, we checked the changes of the shell densities between pre- and post-DNA extraction by using the micro-focus X-ray CT (MXCT) scanning. Based on the simultaneous measurement of a sample and the standard material, we confirmed no significant changes to the shell densities through the DNA extraction process. As a next step, we compared stable oxygen and carbon isotopes among individuals of three sample sets: (1) no chemical and incubation as control, (2) incubation in the DNA extraction buffer at 65-70°C for 40 minutes as standard way, and (3) incubation in the DNA extraction buffer at 65-70°C for 120 minutes, by using the microscale isotopic analytical system (MICAL3c). Consequently, there were no significant differences among the three sample sets. These examinations clearly certified that we define morphological and geochemical features from same specimens after genetic identification. Thus, our novel approach (SAMSI) provides future studies to establish the accurate ecological and environmental proxies both in the modern and past oceans.

Multi-photon excited luminescence of magnetic FePt core-shell nanoparticles.

PubMed

Seemann, K M; Kuhn, B

2014-07-01

We present magnetic FePt nanoparticles with a hydrophilic, inert, and biocompatible silico-tungsten oxide shell. The particles can be functionalized, optically detected, and optically manipulated. To show the functionalization the fluorescent dye NOPS was bound to the FePt core-shell nanoparticles with propyl-triethoxy-silane linkers and fluorescence of the labeled particles were observed in ethanol (EtOH). In aqueous dispersion the NOPS fluorescence is quenched making them invisible using 1-photon excitation. However, we observe bright luminescence of labeled and even unlabeled magnetic core-shell nanoparticles with multi-photon excitation. Luminescence can be detected in the near ultraviolet and the full visible spectral range by near infrared multi-photon excitation. For optical manipulation, we were able to drag clusters of particles, and maybe also single particles, by a focused laser beam that acts as optical tweezers by inducing an electric dipole in the insulated metal nanoparticles. In a first application, we show that the luminescence of the core-shell nanoparticles is bright enough for in vivo multi-photon imaging in the mouse neocortex down to cortical layer 5.

Multiple outer-shell ionization effect in inner-shell x-ray production by light ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lapicki, G.; Mehta, R.; Duggan, J.L.

1986-11-01

L-shell x-ray production cross sections by 0.25--2.5-MeV /sub 2//sup 4/He/sup +/ ions in /sub 28/Ni, /sub 29/Cu, /sub 32/Ge, /sub 33/As, /sub 37/Rb, /sub 38/Sr, /sub 39/Y, /sub 40/Zr, and /sub 46/Pd are reported. The data are compared to the first Born approximation and the ECPSSR theory that accounts for the projectile energy loss (E) and Coulomb deflection (C) as well as the perturbed-stationary-state (PSS) and relativistic (R) effects in the treatment of the target L-shell electron. Surprisingly, the first Born approximation appears to converge to the data while the ECPSSR predictions underestimate them in the low-velocity limit. This ismore » explained as the result of improper use of single-hole fluorescence yields. A heuristic formula is proposed to account for multiple ionizations in terms of a classical probability for these phenomena and, after it is applied, the ECPSSR theory of L-shell ionization is found to be in good agreement with the data.« less

Demonstration of high coupling efficiency to Al capsule in rugby hohlraum on NIF

NASA Astrophysics Data System (ADS)

Ping, Y.; Smalyuk, V.; Amendt, P.; Bennett, D.; Chen, H.; Dewald, E.; Goyon, C.; Graziani, F.; Johnson, S.; Khan, S.; Landen, O.; Nikroo, A.; Pino, J.; Ralph, J.; Seugling, R.; Strozzi, D.; Tipton, R.; Tommasini, R.; Wang, M.; Loomis, E.; Merritt, E.; Montgomery, D.

2017-10-01

A new design of the double-shell approach predicts a high coupling efficiency from the hohlraum to the capsule, with 700 kJ in the capsule instead of 200kJ in the conventional low-Z single-shell scheme, improving prospects of double-shell performance. A recent experiment on NIF has evaluated a first step toward this goal of energy coupling using 0.7x subscale Al capsule, Au rugby hohlraum and 1MJ drive. A shell velocity of 150 μm/ns was measured, DANTE peak temperature of 255 eV was measured, and shell kinetic energy of 36 kJ was inferred using a rocket model, all close to predictions and consistent with 330kJ of total energy coupled to the capsule. Data analysis and more results from subsequent experiments will be presented. In the next step, an additional 2x increase of total coupled energy up to 700 kJ is projected for full-scale 2-MJ drive in U Rugby hohlraum. This work was performed under DOE contract DE-AC52-07NA27344.

Exciton antennas and concentrators from core-shell and corrugated carbon nanotube filaments of homogeneous composition.

PubMed

Han, Jae-Hee; Paulus, Geraldine L C; Maruyama, Ryuichiro; Heller, Daniel A; Kim, Woo-Jae; Barone, Paul W; Lee, Chang Young; Choi, Jong Hyun; Ham, Moon-Ho; Song, Changsik; Fantini, C; Strano, Michael S

2010-10-01

There has been renewed interest in solar concentrators and optical antennas for improvements in photovoltaic energy harvesting and new optoelectronic devices. In this work, we dielectrophoretically assemble single-walled carbon nanotubes (SWNTs) of homogeneous composition into aligned filaments that can exchange excitation energy, concentrating it to the centre of core-shell structures with radial gradients in the optical bandgap. We find an unusually sharp, reversible decay in photoemission that occurs as such filaments are cycled from ambient temperature to only 357 K, attributed to the strongly temperature-dependent second-order Auger process. Core-shell structures consisting of annular shells of mostly (6,5) SWNTs (E(g)=1.21 eV) and cores with bandgaps smaller than those of the shell (E(g)=1.17 eV (7,5)-0.98 eV (8,7)) demonstrate the concentration concept: broadband absorption in the ultraviolet-near-infrared wavelength regime provides quasi-singular photoemission at the (8,7) SWNTs. This approach demonstrates the potential of specifically designed collections of nanotubes to manipulate and concentrate excitons in unique ways.

Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

Sonoluminescence in an Acoustically Levitated Water Filled Shell

NASA Astrophysics Data System (ADS)

Rivera, P. J.; Stephens, R. B.; Jones, J. P.

1998-11-01

The possibility of using shells levitated by acoustic waves to improve the conditions to study sonoluminescence was conducted. Single bubble sonoluminescence (SBSL) was generated using a 2 mm diameter water filled plastic shell, supported in air with 1 MHz sound waves. The bubble was generated and compressed with a separate transducer emitting pulsed 5 MHz acoustic waves which were focussed on the center of the suspended shell. This approach is considerably different from the typical generation technique of SBSL in that the acoustic power is coupled through the air rather than by a solid bond to the container. With this configuration, the water container can be substantially reduced in size and the luminescence pulse rate is probably not connected with cavity resonances. As a result, optical access to the spark is improved, water attenuation is reduced (water thickness ~1 mm), and repetition rate can be considerably higher. This geometry presents problems and opportunities in controlling the gas content and temperature of the water. It might also be sensitive to the perfection of the enclosing plastic shell, so success is erratic. Details will be discussed.

Seasonal Trends and Inter-Individual Heterogeneity: A multi-species record of Mg, Sr, Ba, & Mn in Planktic Foraminifera from the Modern Cariaco Basin

NASA Astrophysics Data System (ADS)

Davis, C. V.; Thunell, R.; Astor, Y. M.

2017-12-01

The trace element to calcium ratios (TE/Ca) of planktic foraminifera shells are a valuable tool for paleoceanographic reconstructions, and represent a combination of environmental, ecological and biological signals. We present here a three-year record (2010-2013) of TE/Ca (Mg, Sr, Ba, Mn) from four species of foraminifera (Orbulina universa, Globigerina ruber, Globigerinella siphonifera, and Globorotalia menardii) collected by plankton tow in the modern Cariaco basin. Each tow is paired with in situ measurements of water column properties, allowing a direct comparison between shell geochemistry and calcification environment. A combination of Laser Ablation and solution ICP-MS analyses are used to document seasonality, primarily due to the alternating influence of wind-driven coastal upwelling and riverine inputs, in shell TE/Ca. Individual shell data further allows for the quantification of trace element heterogeneity among individual shells within single tows. All TE/Ca ratios vary temporally and show inter-individual variability within single tows. The spread in TE/Ca differs between element and species, with Mg/Ca ratios being the most variable. Despite this, Mg/Ca still tracks temperature changes in G. ruber, O. universa, and G. menardii, with G. ruber most closely reproducing sea surface temperature. Some species show chamber-to-chamber differences in trace element ratios, with G. ruber Mg/Ca and Ba/Ca decreasing in younger chambers (but not other elements) and Mg/Ca, Mn/Ca and Ba/Ca decreasing in younger chambers in G. siphonifera. We find the original Mn/Ca to be variable both temporally and between species, with G. menardii in some samples having extremely high ratios (100 μmol/mol). Assessing seasonal trends and environmental drivers of TE/Ca variability and quantifying the extent of inter-individual heterogeneity in these species will inform the use of their shells as geochemical proxies.

Dock 'n roll: folding of a silk-inspired polypeptide into an amyloid-like beta solenoid.

PubMed

Zhao, Binwu; Cohen Stuart, Martien A; Hall, Carol K

2016-04-20

Polypeptides containing the motif ((GA)mGX)n occur in silk and have a strong tendency to self-assemble. For example, polypeptides containing (GAGAGAGX)n, where X = G or H have been observed to form filaments; similar sequences but with X = Q have been used in the design of coat proteins (capsids) for artificial viruses. The structure of the (GAGAGAGX)m filaments has been proposed to be a stack of peptides in a β roll structure with the hydrophobic side chains pointing outwards (hydrophobic shell). Another possible configuration, a β roll or β solenoid structure which has its hydrophobic side chains buried inside (hydrophobic core) was, however, overlooked. We perform ground state analysis as well as atomic-level molecular dynamics simulations, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the hydrophobic shell configuration is the most stable one. We find that a stack of two hydrophobic core molecules is energetically more favorable than a stack of two hydrophobic shell molecules. A shell molecule initially placed in a perfect β roll structure tends to rotate its strands, breaking in-plane hydrogen bonds and forming out-of-plane hydrogen bonds, while a core molecule stays in the β roll structure. The hydrophobic shell structure has type II' β turns whereas the core configuration has type II β turns; only the latter secondary structure agrees well with solid-state NMR experiments on a similar sequence (GA)15. We also observe that the core stack has a higher number of intra-molecular hydrogen bonds and a higher number of hydrogen bonds between stack and water than the shell stack. Hence, we conclude that the hydrophobic core configuration is the most likely structure. In the stacked state, each peptide has more intra-molecular hydrogen bonds than a single folded molecule, which suggests that stacking provides the extra stability needed for molecules to reach the folded state.

Orientation-dependent imaging of electronically excited quantum dots

NASA Astrophysics Data System (ADS)

Nguyen, Duc; Goings, Joshua J.; Nguyen, Huy A.; Lyding, Joseph; Li, Xiaosong; Gruebele, Martin

2018-02-01

We previously demonstrated that we can image electronic excitations of quantum dots by single-molecule absorption scanning tunneling microscopy (SMA-STM). With this technique, a modulated laser beam periodically saturates an electronic transition of a single nanoparticle, and the resulting tunneling current modulation ΔI(x0, y0) maps out the SMA-STM image. In this paper, we first derive the basic theory to calculate ΔI(x0, y0) in the one-electron approximation. For near-resonant tunneling through an empty orbital "i" of the nanostructure, the SMA-STM signal is approximately proportional to the electron density |φi) (x0,y0)|

Orientation-dependent imaging of electronically excited quantum dots.

PubMed

Nguyen, Duc; Goings, Joshua J; Nguyen, Huy A; Lyding, Joseph; Li, Xiaosong; Gruebele, Martin

2018-02-14

We previously demonstrated that we can image electronic excitations of quantum dots by single-molecule absorption scanning tunneling microscopy (SMA-STM). With this technique, a modulated laser beam periodically saturates an electronic transition of a single nanoparticle, and the resulting tunneling current modulation ΔI(x 0 , y 0 ) maps out the SMA-STM image. In this paper, we first derive the basic theory to calculate ΔI(x 0 , y 0 ) in the one-electron approximation. For near-resonant tunneling through an empty orbital "i" of the nanostructure, the SMA-STM signal is approximately proportional to the electron density φ i x 0 ,y 0 2 of the excited orbital in the tunneling region. Thus, the SMA-STM signal is approximated by an orbital density map (ODM) of the resonantly excited orbital at energy E i . The situation is more complex for correlated electron motion, but either way a slice through the excited electronic state structure in the tunneling region is imaged. We then show experimentally that we can nudge quantum dots on the surface and roll them, thus imaging excited state electronic structure of a single quantum dot at different orientations. We use density functional theory to model ODMs at various orientations, for qualitative comparison with the SMA-STM experiment. The model demonstrates that our experimentally observed signal monitors excited states, localized by defects near the surface of an individual quantum dot. The sub-nanometer super-resolution imaging technique demonstrated here could become useful for mapping out the three-dimensional structure of excited states localized by defects within nanomaterials.

Complete Au@ZnO core-shell nanoparticles with enhanced plasmonic absorption enabling significantly improved photocatalysis

NASA Astrophysics Data System (ADS)

Sun, Yiqiang; Sun, Yugang; Zhang, Tao; Chen, Guozhu; Zhang, Fengshou; Liu, Dilong; Cai, Weiping; Li, Yue; Yang, Xianfeng; Li, Cuncheng

2016-05-01

Nanostructured ZnO exhibits high chemical stability and unique optical properties, representing a promising candidate among photocatalysts in the field of environmental remediation and solar energy conversion. However, ZnO only absorbs the UV light, which accounts for less than 5% of total solar irradiation, significantly limiting its applications. In this article, we report a facile and efficient approach to overcome the poor wettability between ZnO and Au by carefully modulating the surface charge density on Au nanoparticles (NPs), enabling rapid synthesis of Au@ZnO core-shell NPs at room temperature. The resulting Au@ZnO core-shell NPs exhibit a significantly enhanced plasmonic absorption in the visible range due to the Au NP cores. They also show a significantly improved photocatalytic performance in comparison with their single-component counterparts, i.e., the Au NPs and ZnO NPs. Moreover, the high catalytic activity of the as-synthesized Au@ZnO core-shell NPs can be maintained even after many cycles of photocatalytic reaction. Our results shed light on the fact that the Au@ZnO core-shell NPs represent a promising class of candidates for applications in plasmonics, surface-enhanced spectroscopy, light harvest devices, solar energy conversion, and degradation of organic pollutants.Nanostructured ZnO exhibits high chemical stability and unique optical properties, representing a promising candidate among photocatalysts in the field of environmental remediation and solar energy conversion. However, ZnO only absorbs the UV light, which accounts for less than 5% of total solar irradiation, significantly limiting its applications. In this article, we report a facile and efficient approach to overcome the poor wettability between ZnO and Au by carefully modulating the surface charge density on Au nanoparticles (NPs), enabling rapid synthesis of Au@ZnO core-shell NPs at room temperature. The resulting Au@ZnO core-shell NPs exhibit a significantly enhanced plasmonic absorption in the visible range due to the Au NP cores. They also show a significantly improved photocatalytic performance in comparison with their single-component counterparts, i.e., the Au NPs and ZnO NPs. Moreover, the high catalytic activity of the as-synthesized Au@ZnO core-shell NPs can be maintained even after many cycles of photocatalytic reaction. Our results shed light on the fact that the Au@ZnO core-shell NPs represent a promising class of candidates for applications in plasmonics, surface-enhanced spectroscopy, light harvest devices, solar energy conversion, and degradation of organic pollutants. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00933f

Free vibration of multiwall carbon nanotubes

NASA Astrophysics Data System (ADS)

Wang, C. Y.; Ru, C. Q.; Mioduchowski, A.

2005-06-01

A multiple-elastic shell model is applied to systematically study free vibration of multiwall carbon nanotubes (MWNTs). Using Flugge [Stresses in Shells (Springer, Berlin, 1960)] equations of elastic shells, vibrational frequencies and associated modes are calculated for MWNTs of innermost radii 5 and 0.65 nm, respectively. The emphasis is placed on the effect of interlayer van der Waals (vdW) interaction on free vibration of MWNTs. Our results show that the interlayer vdW interaction has a crucial effect on radial (R) modes of large-radius MWNTs (e.g., of the innermost radius 5 nm), but is less pronounced for R modes of small-radius MWNTs (e.g., of the innermost radius 0.65 nm), and usually negligible for torsional (T) and longitudinal (L) modes of MWNTs. This is attributed to the fact that the interlayer vdW interaction, characterized by a radius-independent vdW interaction coefficient, depends on radial deflections only, and is dominant only for large-radius MWNTs of lower radial rigidity but less pronounced for small-radius MWNTs of much higher radial rigidity. As a result, the R modes of large-radius MWNTs are typically collective motions of almost all nested tubes, and the R modes of small-radius MWNTs, as well as the T and L modes of MWNTs, are basically vibrations of individual tubes. In particular, an approximate single-shell model is suggested to replace the multiple-shell model in calculating the lowest frequency of R mode of thin MWNTs (defined by the innermost radius-to-thickness ratio not less than 4) with relative errors less than 10%. In addition, the simplified Flugge single equation is adopted to substitute the exact Flugge equations in determining the R-mode frequencies of MWNTs with relative errors less than 10%.

Electron Tomography: A Three-Dimensional Analytic Tool for Hard and Soft Materials Research

DOE PAGES

Ercius, Peter; Alaidi, Osama; Rames, Matthew J.; ...

2015-06-18

Three-dimensional (3D) structural analysis is essential to understand the relationship between the structure and function of an object. Many analytical techniques, such as X-ray diffraction, neutron spectroscopy, and electron microscopy imaging, are used to provide structural information. Transmission electron microscopy (TEM), one of the most popular analytic tools, has been widely used for structural analysis in both physical and biological sciences for many decades, in which 3D objects are projected into two-dimensional (2D) images. In many cases, 2D-projection images are insufficient to understand the relationship between the 3D structure and the function of nanoscale objects. Electron tomography (ET) is amore » technique that retrieves 3D structural information from a tilt series of 2D projections, and is gradually becoming a mature technology with sub-nanometer resolution. Distinct methods to overcome sample-based limitations have been separately developed in both physical and biological science, although they share some basic concepts of ET. Here, this review discusses the common basis for 3D characterization, and specifies difficulties and solutions regarding both hard and soft materials research. It is hoped that novel solutions based on current state-of-the-art techniques for advanced applications in hybrid matter systems can be motivated. Electron tomography produces quantitative 3D reconstructions for biological and physical sciences from sets of 2D projections acquired at different tilting angles in a transmission electron microscope. Finally, state-of-the-art techniques capable of producing 3D representations such as Pt-Pd core-shell nanoparticles and IgG1 antibody molecules are reviewed.« less

Biodegradable Core-shell Dual-Metal-Organic-Frameworks Nanotheranostic Agent for Multiple Imaging Guided Combination Cancer Therapy

PubMed Central

Wang, Dongdong; Zhou, Jiajia; Shi, Ruohong; Wu, Huihui; Chen, Ruhui; Duan, Beichen; Xia, Guoliang; Xu, Pengping; Wang, Hui; Zhou, Shu; Wang, Chengming; Wang, Haibao; Guo, Zhen; Chen, Qianwang

2017-01-01

Metal-organic-frameworks (MOFs) possess high porosity, large surface area, and tunable functionality are promising candidates for synchronous diagnosis and therapy in cancer treatment. Although large number of MOFs has been discovered, conventional MOF-based nanoplatforms are mainly limited to the sole MOF source with sole functionality. In this study, surfactant modified Prussian blue (PB) core coated by compact ZIF-8 shell (core-shell dual-MOFs, CSD-MOFs) has been reported through a versatile stepwise approach. With Prussian blue as core, CSD-MOFs are able to serve as both magnetic resonance imaging (MRI) and fluorescence optical imaging (FOI) agents. We show that CSD-MOFs crystals loading the anticancer drug doxorubicin (DOX) are efficient pH and near-infrared (NIR) dual-stimuli responsive drug delivery vehicles. After the degradation of ZIF-8, simultaneous NIR irradiation to the inner PB MOFs continuously generate heat that kill cancer cells. Their efficacy on HeLa cancer cell lines is higher compared with the respective single treatment modality, achieving synergistic chemo-thermal therapy efficacy. In vivo results indicate that the anti-tumor efficacy of CSD-MOFs@DOX+NIR was 7.16 and 5.07 times enhanced compared to single chemo-therapy and single thermal-therapy respectively. Our strategy opens new possibilities to construct multifunctional theranostic systems through integration of two different MOFs. PMID:29158848

In-plane, commensurate GaN/AlN junctions: single-layer composite structures, multiple quantum wells and quantum dots

NASA Astrophysics Data System (ADS)

Durgun, Engin; Onen, Abdullatif; Kecik, Deniz; Ciraci, Salim

In-plane composite structures constructed of the stripes or core/shells of single-layer GaN and AlN, which are joined commensurately display diversity of electronic properties, that can be tuned by the size of their constituents. In heterostructures, the dimensionality of electrons change from 2D to 1D upon their confinements in wide constituent stripes leading to the type-I band alignment and hence multiple quantum well structure in the direct space. The δ-doping of one wide stripe by other narrow stripe results in local narrowing or widening of the band gap. The direct-indirect transition of the fundamental band gap of composite structures can be attained depending on the odd or even values of formula unit in the armchair edged heterojunction. In a patterned array of GaN/AlN core/shells, the dimensionality of the electronic states are reduced from 2D to 0D forming multiple quantum dots in large GaN-cores, while 2D electrons propagate in multiply connected AlN shell as if they are in a supercrystal. These predictions are obtained from first-principles calculations based on density functional theory on single-layer GaN and AlN compound semiconductors which were synthesized recently. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No 115F088.

75 FR 25879 - Notice of Proposed Supplementary Rules Concerning Fireworks on Public Land in Colorado

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-10

... thirty milligrams of explosive material, aerial shells containing more than forty grams of pyrotechnic..., total pyrotechnic composition not to exceed seventy-five grams each for a single tube or, when more than... grams; (II) Cone fountains, total pyrotechnic composition not to exceed fifty grams each for a single...

Multiwavelength generation in a random distributed feedback fiber laser using an all fiber Lyot filter.

PubMed

Sugavanam, S; Yan, Z; Kamynin, V; Kurkov, A S; Zhang, L; Churkin, D V

2014-02-10

Multiwavelength lasing in the random distributed feedback fiber laser is demonstrated by employing an all fiber Lyot filter. Stable multiwavelength generation is obtained, with each line exhibiting sub-nanometer line-widths. A flat power distribution over multiple lines is obtained, which indicates that the power between lines is redistributed in nonlinear mixing processes. The multiwavelength generation is observed both in first and second Stokes waves.

X-ray two-photon absorption with high fluence XFEL pulses

DOE PAGES

Hoszowska, Joanna; Szlachetko, J.; Dousse, J. -Cl.; ...

2015-09-07

Here, we report on nonlinear interaction of solid Fe with intense femtosecond hard x-ray free-electron laser (XFEL) pulses. The experiment was performed at the CXI end-station of the Linac Coherent Light Source (LCLS) by means of high- resolution x-ray emission spectroscopy. The focused x-ray beam provided extreme fluence of ~10 5 photons/Å 2. Two-photon absorption leading to K-shell hollow atom formation and to single K-shell ionization of solid Fe was investigated.

Technology development in support of the TWRS process flowsheet. Revision 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Washenfelder, D.J.

1995-10-11

The Tank Waste Remediation System is to treat and dispose of Hanford`s Single-Shell and Double-Shell Tank Waste. The TWRS Process Flowsheet, (WHC-SD-WM-TI-613 Rev. 1) described a flowsheet based on a large number of assumptions and engineering judgements that require verification or further definition through process and technology development activities. This document takes off from the TWRS Process Flowsheet to identify and prioritize tasks that should be completed to strengthen the technical foundation for the flowsheet.

A tale of two Bethe ansätze

NASA Astrophysics Data System (ADS)

Lima-Santos, Antonio; Nepomechie, Rafael I.; Pimenta, Rodrigo A.

2018-04-01

We revisit the construction of the eigenvectors of the single and double-row transfer matrices associated with the Zamolodchikov–Fateev model, within the algebraic Bethe ansatz method. The left and right eigenvectors are constructed using two different methods: the fusion technique and Tarasov’s construction. A simple explicit relation between the eigenvectors from the two Bethe ansätze is obtained. As a consequence, we obtain the Slavnov formula for the scalar product between on-shell and off-shell Tarasov–Bethe vectors.

sdg Interacting boson hamiltonian in the seniority scheme

NASA Astrophysics Data System (ADS)

Yoshinaga, N.

1989-03-01

The sdg interacting boson hamiltonian is derived in the seniority scheme. We use the method of Otsuka, Arima and Iachello in order to derive the boson hamiltonian from the fermion hamiltonian. To examine how good is the boson approximation in the zeroth-order, we carry out the exact shell model calculations in a single j-shell. It is found that almost all low-lying levels are reproduced quite well by diagonalizing the sdg interacting boson hamiltonian in the vibrational case. In the deformed case the introduction of g-bosons improves the reproduction of the spectra and of the binding energies which are obtained by diagonalizing the exact shell model hamiltonian. In particular the sdg interacting boson model reproduces well-developed rotational bands.

Two-photon decay of K-shell vacancies in silver atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mokler, P.H.; University of Giessen, Giessen; Schaeffer, H.W.

2004-09-01

The spectral distributions for the two-photon decay modes of singly K-shell ionized silver atoms are determined by x-ray-x-ray coincidence measurements. Ag K-shell vacancies were induced by nuclear electron capture decay of radioactive cadmium isotopes {sup 109}Cd and two-photon coincidences were taken back to back (180 deg.) and at a 90 deg. opening angle for the emission. Each of the two-photon transitions from the 2s, 3s, and 3d states exhibits unique angular and spectral distributions. The measurements agree nicely with relativistic self-consistent field calculations of Tong et al. Our results also confirm and extend the earlier experimental data of Ilakovac andmore » co-workers with improved accuracy.« less

Synthesis and Characterization of Mn3O4 - Graphene Core - Shell Quantum Dots for Electrochemical Pseudocapacitor Applications

NASA Astrophysics Data System (ADS)

Ko, Yohan; Son, Dong Ick

2018-05-01

We report on the in-situ chemical growth of unique core-shell quantum dots (QDs) with single layer graphene on the surfaces of the Mn3O4 QDs and on their structural, optical and electrical properties. The Mn3O4-graphene QDs were synthesized through a simple hydrothermal technique. In order to enhance performance for electrochemical energy storage, we developed core (active material) - shell (conductive material)-type Mn3O4 - graphene QDs as electrode materials by using an aqueous electrolyte (6M KOH). As a result, the performance of electrochemical energy storage exhibit a specific capacitance of 452.72 Fg-1 at a current density of 1 Ag-1.

Shell Corrections Stabilizing Superheavy Nuclei and Semi-spheroidal Atomic Clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poenaru, Dorin N.

2008-01-24

The macroscopic-microscopic method is used to illustrate the shell effect stabilizing superheavy nuclei and to study the stability of semi-spheroidal clusters deposited on planar surfaces. The alpha decay of superheavy nuclei is calculated using three models: the analytical superasymmetric fission model; the universal curve, and the semiempirical formula taking into account the shell effects. Analytical relationships are obtained for the energy levels of the new semi-spheroidal harmonic oscillator (SSHO) single-particle model and for the surface and curvature energies of the semi-spheroidal clusters. The maximum degeneracy of the SSHO is reached at a super-deformed prolate shape for which the minimum ofmore » the liquid drop model energy is also attained.« less

Significant reduction of thermal conductivity in Si/Ge core-shell nanowires.

PubMed

Hu, Ming; Giapis, Konstantinos P; Goicochea, Javier V; Zhang, Xiaoliang; Poulikakos, Dimos

2011-02-09

We report on the effect of germanium (Ge) coatings on the thermal transport properties of silicon (Si) nanowires using nonequilibrium molecular dynamics simulations. Our results show that a simple deposition of a Ge shell of only 1 to 2 unit cells in thickness on a single crystalline Si nanowire can lead to a dramatic 75% decrease in thermal conductivity at room temperature compared to an uncoated Si nanowire. By analyzing the vibrational density states of phonons and the participation ratio of each specific mode, we demonstrate that the reduction in the thermal conductivity of Si/Ge core-shell nanowire stems from the depression and localization of long-wavelength phonon modes at the Si/Ge interface and of high frequency nonpropagating diffusive modes.

In situ control of synchronous germanide/silicide reactions with Ge/Si core/shell nanowires to monitor formation and strain evolution in abrupt 2.7 nm channel length

DOE PAGES

Chen, Renjie; Nguyen, Binh-Minh; Tang, Wei; ...

2017-05-22

The metal-semiconductor interface in self-aligned contact formation can determine the overall performance of nanoscale devices. This interfacial morphology is predicted and well researched in homogenous semiconductor nanowires (NWs) but was not pursued in heterostructured core/shell nanowires. Here, we found here that the solid-state reactions between Ni and Ge/Si core/shell nanowires resulted in a protruded and a leading NiSiy segment into the channel. A single Ni 2Ge/NiSi y to Ge/Si core/shell interface was achieved by the selective shell removal near the Ni source/drain contact areas. In using in situ transmission electron microscopy, we measured the growth rate and anisotropic strain evolutionmore » in ultra-short channels. We also found elevated compressive strains near the interface between the compound contact and the NW and relatively lower strains near the center of the channel which increased exponentially below the 10 nm channel length to exceed 10% strain at ~3 nm lengths. These compressive strains are expected to result in a non-homogeneous energy band structure in Ge/Si core/shell NWs below 10 nm and potentially benefit their transistor performance.« less

Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Aryya; Vaval, Nayana, E-mail: np.vaval@ncl.res.in; Pal, Sourav

2015-07-14

Auger decay is an efficient ultrafast relaxation process of core-shell or inner-shell excited atom or molecule. Generally, it occurs in femto-second or even atto-second time domain. Direct measurement of lifetimes of Auger process of single ionized and double ionized inner-shell state of an atom or molecule is an extremely difficult task. In this paper, we have applied the highly correlated complex absorbing potential-equation-of-motion coupled cluster (CAP-EOMCC) approach which is a combination of CAP and EOMCC approach to calculate the lifetime of the states arising from 2p inner-shell ionization of an Ar atom and 3d inner-shell ionization of Kr atom. Wemore » have also calculated the lifetime of Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}D, Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}S, and Ar{sup 2+}(2p{sup −1}3s{sup −1}) {sup 1}P double ionized states. The predicted results are compared with the other theoretical results as well as experimental results available in the literature.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gronke, M.; Dijkstra, M., E-mail: maxbg@astro.uio.no

We perform Lyman- α (Ly α ) Monte-Carlo radiative transfer calculations on a suite of 2500 models of multiphase, outflowing media, which are characterized by 14 parameters. We focus on the Ly α spectra emerging from these media and investigate which properties are dominant in shaping the emerging Ly α profile. Multiphase models give rise to a wide variety of emerging spectra, including single-, double-, and triple-peaked spectra. We find that the dominant parameters in shaping the spectra include (i) the cloud covering factor, f {sub c} , which is in agreement with earlier studies, and (ii) the temperature andmore » number density of residual H i in the hot ionized medium. We attempt to reproduce spectra emerging from multiphase models with “shell models” which are commonly used to fit observed Ly α spectra, and investigate the connection between shell-model parameters and the physical parameters of the clumpy media. In shell models, the neutral hydrogen content of the shell is one of the key parameters controlling Ly α radiative transfer. Because Ly α spectra emerging from multiphase media depend much less on the neutral hydrogen content of the clumps, the shell-model parameters such as H i column density (but also shell velocity and dust content) are generally not well matched to the associated physical parameters of the clumpy media.« less

In situ control of synchronous germanide/silicide reactions with Ge/Si core/shell nanowires to monitor formation and strain evolution in abrupt 2.7 nm channel length

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Renjie; Nguyen, Binh-Minh; Tang, Wei

The metal-semiconductor interface in self-aligned contact formation can determine the overall performance of nanoscale devices. This interfacial morphology is predicted and well researched in homogenous semiconductor nanowires (NWs) but was not pursued in heterostructured core/shell nanowires. Here, we found here that the solid-state reactions between Ni and Ge/Si core/shell nanowires resulted in a protruded and a leading NiSiy segment into the channel. A single Ni 2Ge/NiSi y to Ge/Si core/shell interface was achieved by the selective shell removal near the Ni source/drain contact areas. In using in situ transmission electron microscopy, we measured the growth rate and anisotropic strain evolutionmore » in ultra-short channels. We also found elevated compressive strains near the interface between the compound contact and the NW and relatively lower strains near the center of the channel which increased exponentially below the 10 nm channel length to exceed 10% strain at ~3 nm lengths. These compressive strains are expected to result in a non-homogeneous energy band structure in Ge/Si core/shell NWs below 10 nm and potentially benefit their transistor performance.« less

Core-shell monodisperse spherical mSiO2/Gd2O3:Eu3+@mSiO2 particles as potential multifunctional theranostic agents

NASA Astrophysics Data System (ADS)

Eurov, Daniil A.; Kurdyukov, Dmitry A.; Kirilenko, Demid A.; Kukushkina, Julia A.; Nashchekin, Alexei V.; Smirnov, Alexander N.; Golubev, Valery G.

2015-02-01

Core-shell nanoparticles with diameters in the range 100-500 nm have been synthesized as monodisperse spherical mesoporous (pore diameter 3 nm) silica particles with size deviation of less than 4 %, filled with gadolinium and europium oxides and coated with a mesoporous silica shell. It is shown that the melt technique developed for filling with gadolinium and europium oxides provides a nearly maximum filling of mesopores in a single-run impregnation, with gadolinium and europium uniformly distributed within the particles and forming no bulk oxides on their surface. The coating with a shell does not impair the monodispersity and causes no coagulation. The coating technique enables controlled variation of the shell thickness within the range 5-100 % relative to the core diameter. The thus produced nanoparticles are easily dispersed in water, have large specific surface area (300 m2 g-1) and pore volume (0.3 cm3 g-1), and are bright solid phosphor with superior stability in aqueous media. The core-shell structured particles can be potentially used for cancer treatment as a therapeutic agent (gadolinium neutron-capture therapy and drug delivery system) and, simultaneously, as a multimodal diagnostic tool (fluorescence and magnetic resonance imaging), thereby serving as a multifunctional theranostic agent.

Simultaneous detection of and differentiation between herpes simplex and varicella-zoster viruses with two fluorescent probes in the same test system.

PubMed

Brumback, B G; Farthing, P G; Castellino, S N

1993-12-01

Specimens from skin lesions were examined simultaneously for herpes simplex virus (HSV) and varicella-zoster virus (VZV) by direct specimen testing and shell vial culture in single-test systems. For direct testing, cells in a single specimen well were stained with a combination direct-indirect immunofluorescence stain by using two fluorescent tags. A total of 203 fresh specimens were tested in parallel. Of these, 100 specimens contained too few cells for the direct VZV comparison and 91 contained too few cells for the HSV comparison. After these specimens were eliminated, the sensitivities and specificities, respectively, of the dual direct test were 86.1 and 97.3% for HSV compared with single culture and 92.2 and 100% for VZV compared with single direct testing. Shell vial monolayers in the combined cultures were stained for both viruses by the same method. A total of 305 fresh specimens were cultured in parallel by dual- and single-culture methods. The sensitivities and specificities, respectively, of the combined culture compared with separate cultures were 100 and 98.4% for HSV and 87.9 and 99.2% for VZV. The combined methods gave a performance comparable to those of single tests, required less specimen volume, and were less costly to perform.

Mission analysis report for single-shell tank leakage mitigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cruse, J.M.

1994-09-01

This document provides an analysis of the leakage mitigation mission applicable to past and potential future leakage from the Hanford Site`s 149 single-shell high-level waste tanks. This mission is a part of the overall missions of the Westinghouse Hanford Company Tank Waste Remediation System division to remediate the tank waste in a safe and acceptable manner. Systems engineers principles are being applied to this effort. Mission analysis supports early decision making by clearly defining program objectives. This documents identifies the initial conditions and acceptable final conditions, defines the programmatic and physical interfaces and constraints, estimates the resources to carry outmore » the mission, and establishes measures of success. The results of the mission analysis provide a consistent basis for subsequent systems engineering work.« less

Ultrafast Photodetection in the Quantum Wells of Single AlGaAs/GaAs-Based Nanowires.

PubMed

Erhard, N; Zenger, S; Morkötter, S; Rudolph, D; Weiss, M; Krenner, H J; Karl, H; Abstreiter, G; Finley, J J; Koblmüller, G; Holleitner, A W

2015-10-14

We investigate the ultrafast optoelectronic properties of single Al0.3Ga0.7As/GaAs core-shell nanowires. The nanowires contain GaAs-based quantum wells. For a resonant excitation of the quantum wells, we find a picosecond photocurrent which is consistent with an ultrafast lateral expansion of the photogenerated charge carriers. This Dember-effect does not occur for an excitation of the GaAs-based core of the nanowires. Instead, the core exhibits an ultrafast displacement current and a photothermoelectric current at the metal Schottky contacts. Our results uncover the optoelectronic dynamics in semiconductor core-shell nanowires comprising quantum wells, and they demonstrate the possibility to use the low-dimensional quantum well states therein for ultrafast photoswitches and photodetectors.

Optimizations of geothermal cycle shell and tube exchangers of various configurations with variable fluid properties and site specific fouling. [SIZEHX

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, W.L.; Pines, H.S.; Silvester, L.F.

1978-03-01

A new heat exchanger program, SIZEHX, is described. This program allows single step multiparameter cost optimizations on single phase or supercritical exchanger arrays with variable properties and arbitrary fouling for a multitude of matrix configurations and fluids. SIZEHX uses a simplified form of Tinker's method for characterization of shell side performance; the Starling modified BWR equation for thermodynamic properties of hydrocarbons; and transport properties developed by NBS. Results of four parameter cost optimizations on exchangers for specific geothermal applications are included. The relative mix of capital cost, pumping cost, and brine cost ($/Btu) is determined for geothermal exchangers illustrating themore » invariant nature of the optimal cost distribution for fixed unit costs.« less

Analytic approximation for random muffin-tin alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mills, R.; Gray, L.J.; Kaplan, T.

1983-03-15

The methods introduced in a previous paper under the name of ''traveling-cluster approximation'' (TCA) are applied, in a multiple-scattering approach, to the case of a random muffin-tin substitutional alloy. This permits the iterative part of a self-consistent calculation to be carried out entirely in terms of on-the-energy-shell scattering amplitudes. Off-shell components of the mean resolvent, needed for the calculation of spectral functions, are obtained by standard methods involving single-site scattering wave functions. The single-site TCA is just the usual coherent-potential approximation, expressed in a form particularly suited for iteration. A fixed-point theorem is proved for the general t-matrix TCA, ensuringmore » convergence upon iteration to a unique self-consistent solution with the physically essential Herglotz properties.« less

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei

DOE PAGES

Signoracci, Angelo J.; Duguet, Thomas; Hagen, Gaute; ...

2015-06-29

Background: Ab initio many-body methods have been developed over the past 10 yr to address closed-shell nuclei up to mass A≈130 on the basis of realistic two- and three-nucleon interactions. A current frontier relates to the extension of those many-body methods to the description of open-shell nuclei. Several routes to address open-shell nuclei are currently under investigation, including ideas that exploit spontaneous symmetry breaking. Purpose: Singly open-shell nuclei can be efficiently described via the sole breaking of U(1) gauge symmetry associated with particle-number conservation as a way to account for their superfluid character. While this route was recently followed withinmore » the framework of self-consistent Green's function theory, the goal of the present work is to formulate a similar extension within the framework of coupled cluster theory. Methods: We formulate and apply Bogoliubov coupled cluster (BCC) theory, which consists of representing the exact ground-state wave function of the system as the exponential of a quasiparticle excitation cluster operator acting on a Bogoliubov reference state. Equations for the ground-state energy and the cluster amplitudes are derived at the singles and doubles level (BCCSD) both algebraically and diagrammatically. The formalism includes three-nucleon forces at the normal-ordered two-body level. The first BCC code is implemented in m scheme, which will permit the treatment of doubly open-shell nuclei via the further breaking of SU(2) symmetry associated with angular momentum conservation. Results: Proof-of-principle calculations in an N max=6 spherical harmonic oscillator basis for 16,18O and 18Ne in the BCCD approximation are in good agreement with standard coupled cluster results with the same chiral two-nucleon interaction, while 20O and 20Mg display underbinding relative to experiment. The breaking of U(1) symmetry, monitored by computing the variance associated with the particle-number operator, is relatively constant for all five nuclei, in both the Hartree-Fock-Bogoliubov and BCCD approximations. Conclusions: The newly developed many-body formalism increases the potential span of ab initio calculations based on single-reference coupled cluster techniques tremendously, i.e., potentially to reach several hundred additional midmass nuclei. The new formalism offers a wealth of potential applications and further extensions dedicated to the description of ground and excited states of open-shell nuclei. Short-term goals include the implementation of three-nucleon forces at the normal-ordered two-body level. Midterm extensions include the approximate treatment of triples corrections and the development of the equation-of-motion methodology to treat both excited states and odd nuclei. Long-term extensions include exact restoration of U(1) and SU(2) symmetries.« less

Improved open-circuit voltage in polymer/oxide-nanoarray hybrid solar cells by formation of homogeneous metal oxide core/shell structures.

PubMed

Wu, Fan; Cui, Qi; Qiu, Zeliang; Liu, Changwen; Zhang, Hui; Shen, Wei; Wang, Mingtai

2013-04-24

Incorporation of vertically aligned nanorod/nanowire arrays of metal oxide (oxide-NAs) with a polymer can produce efficient hybrid solar cells with an ideal bulk-heterojunction architecture. However, polymer/oxide-NAs solar cells still suffer from a rather low (normally, < 0.4 V) open-circuit voltage (Voc). Here we demonstrate, for the first time, a novel strategy to improve the Voc in polymer/oxide-NAs solar cells by formation of homogeneous core/shell structures and reveal the intrinsic principles involved therein. A feasible hydrothermal-solvothermal combined method is developed for preparing homogeneous core/shell nanoarrays of metal oxides with a single-crystalline nanorod as core and the aggregation layer of corresponding metal oxide quantum dots (QDs) as shell, and the shell thickness (L) is easily controlled by the solvothermal reaction time for growing QDs on the nanorod. The core/shell formation dramatically improves the device Voc up to ca. 0.7-0.8 V depending on L. Based on steady-state and dynamic measurements, as well as modeling by space-charge-limited current method, it is found that the improved Voc originates from the up-shifted conduction band edge in the core by the interfacial dipole field resulting from the decreased mobility difference between photogenerated electrons and holes after the shell growth, which increases the energy difference between the quasi-Fermi levels of photogenerated electrons in the core and holes in the polymer for a higher Voc. Our results indicate that increasing Voc by the core/shell strategy seems not to be dependent on the kinds of metal oxides.

Photoionization cross section and binding energy of single dopant in hollow cylindrical core/shell quantum dot

NASA Astrophysics Data System (ADS)

Feddi, E.; El-Yadri, M.; Dujardin, F.; Restrepo, R. L.; Duque, C. A.

2017-02-01

In this study, we have investigated the confined donor impurity in a hollow cylindrical-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with rigid walls. Within the framework of the effective-mass approximation and by using a simple variational approach, we have computed the donor binding energy as a function of the shell sizes in order to study the behavior of the electron-impurity attraction for a very small thickness. Our results show that the binding energy of a donor impurity placed at the center of cylindrical core/shell dots depends strongly on the shell size. The binding energy increases when the shell-wideness becomes smaller and shows the same behavior as in a simple cylindrical quantum dot. A special case has been studied, which corresponds to the ratio between the inner and outer radii near to one (a/b → 1) for which our model gives a non-significant behavior of the impurity binding energy. This fact implies the existence of a critical value (a/b) for which the binding energy of the donor impurity tends to the limit value of 4 effective Rydbergs as in a 2D quantum well. We also analyse the photoionization cross section considering only the in-plane incident radiation polarization. We determine its behavior as a function of photon energy, shell size, and donor position. The measurement of photoionization in such systems would be of great interest to understand the optical properties of carriers in quantum dots.

Application of the flow-through time-resolved analysis technique to trace element determination in ostracod shells

NASA Astrophysics Data System (ADS)

Börner, Nicole; De Baere, Bart; Francois, Roger; Frenzel, Peter; Schwalb, Antje

2014-05-01

Trace element analyses of ostracod shells are a vital tool for paleoenvironmental reconstructions from lake sediments (Börner et al., 2013). Conventional batch dissolution ICP-MS is the most common way for analyzing trace elements in ostracod shells. However, due to dissolution or secondary overgrowth the primary signal may be masked. Resulting variations in trace element composition have been identified to be in the order of a magnitude range. Therefore, the application of the newly developed flow-through technique will be assessed. The flow-through time-resolved analysis technique allows to chemically separate mineral phases of different solubility such as, in particular, original shell calcite from overgrowth calcite, and thus to correct the measurements for the biogenic signal. During a flow-through experiment, eluent is continuously pumped through a sample column, typically a filter in which the ostracod valves are loaded. The gradual dissolution of the substrate is controlled by a combination of eluent type, eluent temperature and eluent flow rate. The dissolved sample then flows directly to a mass spectrometer. The resulting data is a chromatogram, featuring different mineral phases dissolving as time progresses. Hence, the flow-through technique provides a detailed geochemical fingerprint of the substrate and therefore additional data relative to conventional methods. To calibrate this technique for the application to ostracods we use ostracod shells from Southern Tibetan Plateau lakes, which feature an alkaline environment but show highly diverse hydrochemistry. Cleaned as well as uncleaned ostracod shells show similarity in their trace element signals, allowing measurements without prior cleaning of the shells, and thus more time-efficient sample throughput. Measurements of unclean shells are corrected for the biogenic signal using an equation from Klinkhammer et al. (2004). Another advantage is that the measurements can be carried out on single ostracod shells, as not every single sediment sample contains enough adult intact specimens of all required genera, making batch cleaning dissolution impossible. The flow-through time-resolved analysis technique gives an accurate and high-resolution dataset. The trace elemental data for living ostracods compared to the hydrological data from each sampling site provides a calibration dataset for further hydrological and thus climatological reconstruction of a sediment core from Nam Co. Mg/Ca and Sr/Ca ratios in ostracod shells will provide information about past water temperature and salinity resulting from changes in precipitation vs. evaporation ratios and monsoon activity. Further, we will exploit Mn/Ca, Fe/Ca and U/Ca ratios as redox indicators to reconstruct oxygenation cycles and Ba/Ca ratios to detect changes in productivity and/or salinity. This reconstruction should provide a more extensive insight in past climatic change, e.g. precipitation - evaporation balance, lake level and circulation changes, and the recording of environmental signatures by ostracod shells. Börner, N., De Baere, B., Yang, Q., Jochum, K.P., Frenzel, P., Andreae, M.O., Schwalb, A., 2013. Ostracod shell chemistry as proxy for paleoenvironmental change. Quaternary International 313-314, 17-37. Klinkhammer, G.P., Haley, B.A., Mix, A.C., Benway, H., Cheseby, M., 2004. Evaluation of automated flow-through time-resolved analysis of foraminifera for Mg/Ca paleothermometry. Paleoceanography 19, PA4030.

Buckling and Damage Resistance of Transversely-Loaded Composite Shells

NASA Technical Reports Server (NTRS)

Wardle, Brian L.

1998-01-01

Experimental and numerical work was conducted to better understand composite shell response to transverse loadings which simulate damage-causing impact events. The quasi-static, centered, transverse loading response of laminated graphite/epoxy shells in a [+/-45(sub n)/O(sub n)](sub s) layup having geometric characteristics of a commercial fuselage are studied. The singly-curved composite shell structures are hinged along the straight circumferential edges and are either free or simply supported along the curved axial edges. Key components of the shell response are response instabilities due to limit-point and/or bifurcation buckling. Experimentally, deflection-controlled shell response is characterized via load-deflection data, deformation-shape evolutions, and the resulting damage state. Finite element models are used to study the kinematically nonlinear shell response, including bifurcation, limit-points, and postbuckling. A novel technique is developed for evaluating bifurcation from nonlinear prebuckling states utilizing asymmetric spatial discretization to introduce numerical perturbations. Advantages of the asymmetric meshing technique (AMT) over traditional techniques include efficiency, robustness, ease of application, and solution of the actual (not modified) problems. The AMT is validated by comparison to traditional numerical analysis of a benchmark problem and verified by comparison to experimental data. Applying the technique, bifurcation in a benchmark shell-buckling problem is correctly identified. Excellent agreement between the numerical and experimental results are obtained for a number of composite shells although predictive capability decreases for stiffer (thicker) specimens which is attributed to compliance of the test fixture. Restraining the axial edge (simple support) has the effect of creating a more complex response which involves unstable bifurcation, limit-point buckling, and dynamic collapse. Such shells were noted to bifurcate into asymmetric deformation modes but were undamaged during testing. Shells in this study which were damaged were not observed to bifurcate. Thus, a direct link between bifurcation and atypical damage could not be established although the mechanism (bifurcation) was identified. Recommendations for further work in these related areas are provided and include extensions of the AMT to other shell geometries and structural problems.

Cue reliability, risk sensitivity and inducible morphological defense in a marine snail.

PubMed

Bourdeau, Paul E

2010-04-01

Reliable cues that communicate current or future environmental conditions are a requirement for the evolution of adaptive phenotypic plasticity, yet we often do not know which cues are responsible for the induction of particular plastic phenotypes. I examined the single and combined effects of cues from damaged prey and predator cues on the induction of plastic shell defenses and somatic growth in the marine snail Nucella lamellosa. Snails were exposed to chemical risk cues from a factorial combination of damaged prey presented in isolation or consumed by predatory crabs (Cancer productus). Water-borne cues from damaged conspecific and heterospecific snails did not affect plastic shell defenses (shell mass, shell thickness and apertural teeth) or somatic growth in N. lamellosa. Cues released by feeding crabs, independent of prey cue, had significant effects on shell mass and somatic growth, but only crabs consuming conspecific snails induced the full suite of plastic shell defenses in N. lamellosa and induced the greatest response in all shell traits and somatic growth. Thus the relationship between risk cue and inducible morphological defense is dependent on which cues and which morphological traits are examined. Results indicate that cues from damaged conspecifics alone do not trigger a response, but, in combination with predator cues, act to signal predation risk and trigger inducible defenses in this species. This ability to "label" predators as dangerous may decrease predator avoidance costs and highlights the importance of the feeding habits of predators on the expression of inducible defenses.

Sample Based Unit Liter Dose Estimates

DOE Office of Scientific and Technical Information (OSTI.GOV)

JENSEN, L.

The Tank Waste Characterization Program has taken many core samples, grab samples, and auger samples from the single-shell and double-shell tanks during the past 10 years. Consequently, the amount of sample data available has increased, both in terms of quantity of sample results and the number of tanks characterized. More and better data is available than when the current radiological and toxicological source terms used in the Basis for Interim Operation (BIO) (FDH 1999a) and the Final Safety Analysis Report (FSAR) (FDH 1999b) were developed. The Nuclear Safety and Licensing (NS and L) organization wants to use the new datamore » to upgrade the radiological and toxicological source terms used in the BIO and FSAR. The NS and L organization requested assistance in producing a statistically based process for developing the source terms. This report describes the statistical techniques used and the assumptions made to support the development of a new radiological source term for liquid and solid wastes stored in single-shell and double-shell tanks. The results given in this report are a revision to similar results given in an earlier version of the document (Jensen and Wilmarth 1999). The main difference between the results in this document and the earlier version is that the dose conversion factors (DCF) for converting {mu}Ci/g or {mu}Ci/L to Sv/L (sieverts per liter) have changed. There are now two DCFs, one based on ICRP-68 and one based on ICW-71 (Brevick 2000).« less

Ab initio many-body perturbation theory and no-core shell model

NASA Astrophysics Data System (ADS)

Hu, B. S.; Wu, Q.; Xu, F. R.

2017-10-01

In many-body perturbation theory (MBPT) we always introduce a parameter N shell to measure the maximal allowed major harmonic-oscillator (HO) shells for the single-particle basis, while the no-core shell model (NCSM) uses N maxℏΩ HO excitation truncation above the lowest HO configuration for the many-body basis. It is worth comparing the two different methods. Starting from “bare” and Okubo-Lee-Suzuki renormalized modern nucleon-nucleon interactions, NNLOopt and JISP16, we show that MBPT within Hartree-Fock bases is in reasonable agreement with NCSM within harmonic oscillator bases for 4He and 16O in “close” model space. In addition, we compare the results using “bare” force with the Okubo-Lee-Suzuki renormalized force. Supported by National Key Basic Research Program of China (2013CB834402), National Natural Science Foundation of China (11235001, 11320101004, 11575007) and the CUSTIPEN (China-U.S. Theory Institute for Physics with Exotic Nuclei) funded by the U.S. Department of Energy, Office of Science (DE-SC0009971)

Type II shell evolution in A = 70 isobars from the N ≥ 40 island of inversion

NASA Astrophysics Data System (ADS)

Morales, A. I.; Benzoni, G.; Watanabe, H.; Tsunoda, Y.; Otsuka, T.; Nishimura, S.; Browne, F.; Daido, R.; Doornenbal, P.; Fang, Y.; Lorusso, G.; Patel, Z.; Rice, S.; Sinclair, L.; Söderström, P.-A.; Sumikama, T.; Wu, J.; Xu, Z. Y.; Yagi, A.; Yokoyama, R.; Baba, H.; Avigo, R.; Bello Garrote, F. L.; Blasi, N.; Bracco, A.; Camera, F.; Ceruti, S.; Crespi, F. C. L.; de Angelis, G.; Delattre, M.-C.; Dombradi, Zs.; Gottardo, A.; Isobe, T.; Kojouharov, I.; Kurz, N.; Kuti, I.; Matsui, K.; Melon, B.; Mengoni, D.; Miyazaki, T.; Modamio-Hoybjor, V.; Momiyama, S.; Napoli, D. R.; Niikura, M.; Orlandi, R.; Sakurai, H.; Sahin, E.; Sohler, D.; Schaffner, H.; Taniuchi, R.; Taprogge, J.; Vajta, Zs.; Valiente-Dobón, J. J.; Wieland, O.; Yalcinkaya, M.

2017-02-01

The level structures of 70Co and 70Ni, populated from the β decay of 70Fe, have been investigated using β-delayed γ-ray spectroscopy following in-flight fission of a 238U beam. The experimental results are compared to Monte-Carlo Shell-Model calculations including the pf +g9/2 +d5/2 orbitals. The strong population of a (1+) state at 274 keV in 70Co is at variance with the expected excitation energy of ∼1 MeV from near spherical single-particle estimates. This observation indicates a dominance of prolate-deformed intruder configurations in the low-lying levels, which coexist with the normal near spherical states. It is shown that the β decay of the neutron-rich A = 70 isobars from the new island of inversion to the Z = 28 closed-shell regime progresses in accordance with a newly reported type of shell evolution, the so-called Type II, which involves many particle-hole excitations across energy gaps.

Changes in the selection differential exerted on a marine snail during the ontogeny of a predatory shore crab.

PubMed

Pakes, D; Boulding, E G

2010-08-01

Empirical estimates of selection gradients caused by predators are common, yet no one has quantified how these estimates vary with predator ontogeny. We used logistic regression to investigate how selection on gastropod shell thickness changed with predator size. Only small and medium purple shore crabs (Hemigrapsus nudus) exerted a linear selection gradient for increased shell-thickness within a single population of the intertidal snail (Littorina subrotundata). The shape of the fitness function for shell thickness was confirmed to be linear for small and medium crabs but was humped for large male crabs, suggesting no directional selection. A second experiment using two prey species to amplify shell thickness differences established that the selection differential on adult snails decreased linearly as crab size increased. We observed differences in size distribution and sex ratios among three natural shore crab populations that may cause spatial and temporal variation in predator-mediated selection on local snail populations.

Cracking the chocolate egg problem: polymeric films coated on curved substrates

NASA Astrophysics Data System (ADS)

Brun, Pierre-Thomas; Lee, Anna; Marthelot, Joel; Balestra, Gioele; Gallaire, François; Reis, Pedro

2015-11-01

Inspired by the traditional chocolate egg recipe, we show that pouring a polymeric solution onto spherical molds yields a simple and robust path of fabrication of thin elastic curved shells. The drainage dynamics naturally leads to uniform coatings frozen in time as the polymer cures, which are subsequently peeled off their mold. We show how the polymer curing affects the drainage dynamics and eventually selects the shell thickness and sets its uniformity. To this end, we perform coating experiments using silicon based elastomers, Vinylpolysiloxane (VPS) and Polydimethylsiloxane (PDMS). These results are rationalized combining numerical simulations of the lubrication flow field to a theoretical model of the dynamics yielding an analytical prediction of the formed shell characteristics. In particular, the robustness of the coating technique and its flexibility, two critical features for providing a generic framework for future studies, are shown to be an inherent consequence of the flow field (memory loss). The shell structure is both independent of initial conditions and tailorable by changing a single experimental parameter.

Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory.

PubMed

Li, Zhendong; Liu, Wenjian

2010-08-14

The spin-adaptation of single-reference quantum chemical methods for excited states of open-shell systems has been nontrivial. The primary reason is that the configuration space, generated by a truncated rank of excitations from only one component of a reference multiplet, is spin-incomplete. Those "missing" configurations are of higher ranks and can, in principle, be recaptured by a particular class of excitation operators. However, the resulting formalisms are then quite involved and there are situations [e.g., time-dependent density functional theory (TD-DFT) under the adiabatic approximation] that prevent one from doing so. To solve this issue, we propose here a tensor-coupling scheme that invokes all the components of a reference multiplet (i.e., a tensor reference) rather than increases the excitation ranks. A minimal spin-adapted n-tuply excited configuration space can readily be constructed by tensor products between the n-tuple tensor excitation operators and the chosen tensor reference. Further combined with the tensor equation-of-motion formalism, very compact expressions for excitation energies can be obtained. As a first application of this general idea, a spin-adapted open-shell random phase approximation is first developed. The so-called "translation rule" is then adopted to formulate a spin-adapted, restricted open-shell Kohn-Sham (ROKS)-based TD-DFT (ROKS-TD-DFT). Here, a particular symmetry structure has to be imposed on the exchange-correlation kernel. While the standard ROKS-TD-DFT can access only excited states due to singlet-coupled single excitations, i.e., only some of the singly excited states of the same spin (S(i)) as the reference, the new scheme can capture all the excited states of spin S(i)-1, S(i), or S(i)+1 due to both singlet- and triplet-coupled single excitations. The actual implementation and computation are very much like the (spin-contaminated) unrestricted Kohn-Sham-based TD-DFT. It is also shown that spin-contaminated spin-flip configuration interaction approaches can easily be spin-adapted via the tensor-coupling scheme.

Expanding relativistic shells and gamma-ray burst temporal structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fenimore, E.E.; Madras, C.D.; Nayakshin, S.

1996-12-01

Many models of gamma-ray bursts (GRBs) involve a shell expanding at extreme relativistic speeds. The shell of material expands in a photon-quiet phase for a period {ital t}{sub 0} and then becomes gamma-ray active, perhaps due to inhomogeneities in the interstellar medium or the generation of shocks. Based on kinematics, we relate the envelope of the emission of the event to the characteristics of the photon-quiet and photon-active phases. We initially assume local spherical symmetry wherein, on average, the same conditions prevail over the shell`s surface within angles the order of {Gamma}{sup {minus}1}, where {Gamma} is the Lorentz factor formore » the bulk motion. The contribution of the curvature to the temporal structure is comparable to the contribution from the overall expansion. As a result, GRB time histories from a shell should have an envelope similar to {open_quotes}FRED{close_quotes} (fast rise, exponential decay) events in which the rise time is related to the duration of the photon-active phase and the fall time is related to the duration of the photon-quiet phase. This result depends only on local spherical symmetry and, since most GRBs do not have such envelopes, we introduce the {open_quotes}shell symmetry{close_quotes} problem: the observed time history envelopes of most GRBs do not agree with that expected for a relativistic expanding shell. Although FREDs have the signature of a relativistic shell, they may not be due to a single shell, as required by some cosmological models. Some FREDs have precursors in which the peaks are separated by more than the expansion time required to explain FRED shape. Such a burst is most likely explained by a central engine; that is, the separation of the multiple peaks occurs because the central site produced multiple releases of energy on timescales comparable to the duration of the event. (Abstract Truncated)« less

Estimating local, organic, and other price premiums of shell eggs in Hawaii.

PubMed

Loke, Matthew K; Xu, Xun; Leung, PingSun

2016-05-01

Hedonic modeling and retail scanner data were utilized to investigate the influence of local, organic, nutrition benefits, and other attributes of shell eggs on retail price premium in Hawaii. Within a revealed preference framework, the analysis of local and organic attributes, simultaneously, under a single unified setting is important, as such work is highly deficient in the published literature. This paper finds high to moderate price premiums in four key attributes of shell eggs - organic (64%), local (40%), nutrition benefits claimed (33%), and brown shell (18.4%). Large and extra-large sized eggs also experience price premiums over medium sized eggs. With each larger packing size, the estimated coefficients were negative, indicating a price discount, relative to the baseline packing size. However, there is no evidence to support the overwhelming influence of "local" over "organic", as hypothesized in other research work. Overall, the findings in this paper suggest industry producers and retailers should highlight and market effusively the primary attributes of their shell eggs, including "local", to remain competitive in the marketplace. Effective communication channels are crucial to delivering the product information, capturing the attention of consumers, and securing retail sales. © 2016 Poultry Science Association Inc.

Multifunctional gold coated iron oxide core-shell nanoparticles stabilized using thiolated sodium alginate for biomedical applications.

PubMed

Sood, Ankur; Arora, Varun; Shah, Jyoti; Kotnala, R K; Jain, Tapan K

2017-11-01

In this paper we report synthesis of aqueous based gold coated iron oxide nanoparticles to integrate the localized surface plasma resonance (SPR) properties of gold and magnetic properties of iron oxide in a single system. Iron oxide-gold core shell nanoparticles were stabilized by attachment of thiolated sodium alginate to the surface of nanoparticles. Transmission electron microscope (TEM) micrograph presents an average elementary particle size of 8.1±2.1nm. High resolution TEM (HR-TEM) and X-ray photon spectroscopy further confirms the presence of gold shell around iron oxide core. Gold coating is responsible for reducing saturation magnetization (M s ) value from ~41emu/g to ~24emu/g - in thiolated sodium alginate stabilized gold coated iron oxide core-shell nanoparticles. The drug (curcumin) loading efficiency for the prepared nanocomposites was estimated to be around 7.2wt% (72μgdrug/mg nanoparticles) with encapsulation efficiency of 72.8%. Gold-coated iron oxide core-shell nanoparticles could be of immense importance in the field of targeted drug delivery along with capability to be used as contrast agent for MRI & CT. Copyright © 2017 Elsevier B.V. All rights reserved.

Contact solution algorithms

NASA Technical Reports Server (NTRS)

Tielking, John T.

1989-01-01

Two algorithms for obtaining static contact solutions are described in this presentation. Although they were derived for contact problems involving specific structures (a tire and a solid rubber cylinder), they are sufficiently general to be applied to other shell-of-revolution and solid-body contact problems. The shell-of-revolution contact algorithm is a method of obtaining a point load influence coefficient matrix for the portion of shell surface that is expected to carry a contact load. If the shell is sufficiently linear with respect to contact loading, a single influence coefficient matrix can be used to obtain a good approximation of the contact pressure distribution. Otherwise, the matrix will be updated to reflect nonlinear load-deflection behavior. The solid-body contact algorithm utilizes a Lagrange multiplier to include the contact constraint in a potential energy functional. The solution is found by applying the principle of minimum potential energy. The Lagrange multiplier is identified as the contact load resultant for a specific deflection. At present, only frictionless contact solutions have been obtained with these algorithms. A sliding tread element has been developed to calculate friction shear force in the contact region of the rolling shell-of-revolution tire model.

Hydrogel Encapsulation Facilitates Rapid-Cooling Cryopreservation of Stem Cell-Laden Core-Shell Microcapsules as Cell-Biomaterial Constructs.

PubMed

Zhao, Gang; Liu, Xiaoli; Zhu, Kaixuan; He, Xiaoming

2017-12-01

Core-shell structured stem cell microencapsulation in hydrogel has wide applications in tissue engineering, regenerative medicine, and cell-based therapies because it offers an ideal immunoisolative microenvironment for cell delivery and 3D culture. Long-term storage of such microcapsules as cell-biomaterial constructs by cryopreservation is an enabling technology for their wide distribution and ready availability for clinical transplantation. However, most of the existing studies focus on cryopreservation of single cells or cells in microcapsules without a core-shell structure (i.e., hydrogel beads). The goal of this study is to achieve cryopreservation of stem cells encapsulated in core-shell microcapsules as cell-biomaterial constructs or biocomposites. To this end, a capillary microfluidics-based core-shell alginate hydrogel encapsulation technology is developed to produce porcine adipose-derived stem cell-laden microcapsules for vitreous cryopreservation with very low concentration (2 mol L -1 ) of cell membrane penetrating cryoprotective agents (CPAs) by suppressing ice formation. This may provide a low-CPA and cost-effective approach for vitreous cryopreservation of "ready-to-use" stem cell-biomaterial constructs, facilitating their off-the-shelf availability and widespread applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Extraction of chitin from red crab shell waste by cofermentation with Lactobacillus paracasei subsp. tolerans KCTC-3074 and Serratia marcescens FS-3.

PubMed

Jung, W J; Jo, G H; Kuk, J H; Kim, K Y; Park, R D

2006-06-01

For one-step extraction of chitin from red crab shell waste, cofermentation with Lactobacillus paracasei subsp. tolerans KCTC-3074, a lactic-acid-producing bacterium, and Serratia marcescens FS-3, a protease-producing bacterium, was conducted. Fermentation with single strain (L. 3074 or FS-3) was also conducted. At day 7, the pH in L. 3074, FS-3, and L. 3074+FS-3 (1:1) treatment decreased from 6.90 to 3.30, 5.88, and 3.48, respectively. Ash content in the residue after fermentation treatment of crab shells in L. 3074 and L. 3074+FS-3 (1:1) treatment drastically decreased from 41.2% to 3.19 and 1.15%, respectively. In L. 3074+FS-3 (1:1) cofermentation, the level of demineralization was the highest value of 97.2%, but the level of deproteinization in the cofermentation was 52.6% at day 7. Protein content in the treatment of FS-3 alone reduced from 22.4 to 3.62%. These results indicate that cofermentation of the shells using the two strains is efficient and applicable for the one-step extraction of crude chitin from red crab shell waste.

Subnanometer to nanometer transition metal CO oxidation catalysts

DOEpatents

Vajda, Stefan; Fortunelli, Alessandro; Yasumatsu, Hisato

2017-12-26

The present invention provides a catalyst defined in part by a conductive substrate; a film overlaying a surface of the substrate; and a plurality of metal clusters supported by the layer, wherein each cluster comprises between 8 and 11 atoms. Further provided is a catalyst defined in part by a conductive substrate; a layer overlaying a surface of the substrate; and a plurality of metal clusters supported by the layer, wherein each cluster comprises at least two metals.

Nanoliter-droplet acoustic streaming via ultra high frequency surface acoustic waves.

PubMed

Shilton, Richie J; Travagliati, Marco; Beltram, Fabio; Cecchini, Marco

2014-08-06

The relevant length scales in sub-nanometer amplitude surface acoustic wave-driven acoustic streaming are demonstrated. We demonstrate the absence of any physical limitations preventing the downscaling of SAW-driven internal streaming to nanoliter microreactors and beyond by extending SAW microfluidics up to operating frequencies in the GHz range. This method is applied to nanoliter scale fluid mixing. © 2014 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanoscale wear and machining behavior of nanolayer interfaces.

PubMed

Nie, Xueyuan; Zhang, Peng; Weiner, Anita M; Cheng, Yang-Tse

2005-10-01

An atomic force microscope was used to subnanometer incise a nanomultilayer to consequently expose individual nanolayers and interfaces on which sliding and scanning nanowear/machining have been performed. The letter reports the first observation on the nanoscale where (i) atomic debris forms in a collective manner, most-likely by deformation and rupture of atomic bonds, and (ii) the nanolayer interfaces possess a much higher wear resistance (desired for nanomachines) or lower machinability (not desired for nanomachining) than the layers.

Radiation Requirements and Requirements Flowdown: Single Event Effects (SEEs) and Requirements

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.

2002-01-01

This short course session provides: (1) an overview of the single particle-induced hazard for space system as they apply in the natural space environment. This shall focus on the implementation of a single event effect hardness assurance (SEEHA) program for systems including system engineering approach and mitigation of effects. (2) The final portion of this session shell provide relevant real-life examples of in-flight performance of systems.

Addressing the characterisation challenge to understand catalysis in MOFs: the case of nanoscale Cu supported in NU-1000.

PubMed

Platero-Prats, Ana E; Li, Zhanyong; Gallington, Leighanne C; Peters, Aaron W; Hupp, Joseph T; Farha, Omar K; Chapman, Karena W

2017-09-01

We explore the dynamic structure and reactivity of Cu species supported on NU-1000. By combining pair distribution function (PDF) analysis and difference envelope density (DED) analysis of in situ synchrotron-based X-ray scattering data, we simultaneously probe the local structure of supported Cu-species, their distribution within NU-1000 and distortions of the NU-1000 lattice under conditions relevant to catalysis and catalyst activation. These analyses show that atomic layer deposition (ALD) of Cu in NU-1000 (Cu-AIM) leads to the formation of Cu-oxo clusters within the small pores that connect the triangular and hexagonal channels. Exposure of Cu-AIM to a reducing atmosphere at 200 °C produces metallic Cu 0 of two distinct particle sizes: ∼4 nm nanoparticles and small sub-nanometer clusters. The size of these nanoparticles appears to be constrained by NU-1000 pore dimensions, with evidence of the sub-nanometer clusters being bound within the triangular channels flanked by pyrene rings. This supported Cu 0 -NU-1000 system is catalytically active for gas-phase ethylene hydrogenation. Exposure of the catalyst to oxidative atmosphere re-oxidises the Cu species to a Cu 2 O cuprite phase. The dynamic restructuring of the system in different chemical environments underscores the importance of probing these systems in situ.

Addressing the characterisation challenge to understand catalysis in MOFs: the case of nanoscale Cu supported in NU-1000

DOE PAGES

Platero-Prats, Ana E.; Li, Zhanyong; Gallington, Leighanne C.; ...

2017-04-03

Here, we explore the dynamic structure and reactivity of Cu species supported on NU-1000. By combining pair distribution function (PDF) analysis and difference envelope density (DED) analysis ofin situsynchrotron-based X-ray scattering data, we simultaneously probe the local structure of supported Cu-species, their distribution within NU-1000 and distortions of the NU-1000 lattice under conditions relevant to catalysis and catalyst activation. Our analyses show that atomic layer deposition (ALD) of Cu in NU-1000 (Cu-AIM) leads to the formation of Cu-oxo clusters within the small pores that connect the triangular and hexagonal channels. Exposure of Cu-AIM to a reducing atmosphere at 200 °Cmore » produces metallic Cu 0of two distinct particle sizes: ~4 nm nanoparticles and small sub-nanometer clusters. The size of these nanoparticles appears to be constrained by NU-1000 pore dimensions, with evidence of the sub-nanometer clusters being bound within the triangular channels flanked by pyrene rings. This supported Cu 0–NU-1000 system is catalytically active for gas-phase ethylene hydrogenation. Exposure of the catalyst to oxidative atmosphere re-oxidises the Cu species to a Cu 2O cuprite phase. The dynamic restructuring of the system in different chemical environments underscores the importance of probing these systemsin situ.« less

Drift of suspended ferromagnetic particles due to the Magnus effect

NASA Astrophysics Data System (ADS)

Denisov, S. I.; Pedchenko, B. O.

2017-01-01

A minimal system of equations is introduced and applied to study the drift motion of ferromagnetic particles suspended in a viscous fluid and subjected to a time-periodic driving force and a nonuniformly rotating magnetic field. It is demonstrated that the synchronized translational and rotational oscillations of these particles are accompanied by their drift in a preferred direction, which occurs under the action of the Magnus force. We calculate both analytically and numerically the drift velocity of particles characterized by single-domain cores and nonmagnetic shells and show that there are two types of drift, unidirectional and bidirectional, which can be realized in suspensions composed of particles with different core-shell ratios. The possibility of using the phenomenon of bidirectional drift for the separation of core-shell particles in suspensions is also discussed.

Electronic Structures and Optical Properties of α-Al2O3Nanowires

NASA Astrophysics Data System (ADS)

Wang, Zhiqiang; Li, Chunlei; Liu, Lijia; Sham, Tsun-Kong

2013-04-01

The electronic structure and optical properties of α-Al2O3 nanowires (NWs) have been investigated using X-ray absorption near-edge structures (XANES) and X-ray excited optical luminescence (XEOL). The XANES were recorded in total electron yield (TEY) and total fluorescence yield (TFY) across the K- and L3,2-edges of aluminium and the K-edge of oxygen. The results indicate that the NWs are of a core/shell structure with a single-crystalline core and an amorphous shell. The XEOL spectra of the NWs show an intense peak at 404 nm, which comes from the F centre located in the amorphous shell of the NWs. The implication of these findings and the sensitivity of XEOL for defect detection are discussed.

Controlled Release from Core-Shell Nanoporous Silica Particles for Corrosion Inhibition of Aluminum Alloys

DOE PAGES

Jiang, Xingmao; Jiang, Ying-Bing; Liu, Nanguo; ...

2011-01-01

Ceriumore » m (Ce) corrosion inhibitors were encapsulated into hexagonally ordered nanoporous silica particles via single-step aerosol-assisted self-assembly. The core/shell structured particles are effective for corrosion inhibition of aluminum alloy AA2024-T3. Numerical simulation proved that the core-shell nanostructure delays the release process. The effective diffusion coefficient elucidated from release data for monodisperse particles in water was 1.0 × 10 − 14  m 2 s for Ce 3+ compared to 2.5 × 10 − 13  m 2 s for NaCl. The pore size, pore surface chemistry, and the inhibitor solubility are crucial factors for the application. Microporous hydrophobic particles encapsulating a less soluble corrosion inhibitor are desirable for long-term corrosion inhibition.« less

Fabrication of nanoscale heterostructures comprised of graphene-encapsulated gold nanoparticles and semiconducting quantum dots for photocatalysis.

PubMed

Li, Yuan; Chopra, Nitin

2015-05-21

Patterned growth of multilayer graphene shell encapsulated gold nanoparticles (GNPs) and their covalent linking with inorganic quantum dots are demonstrated. GNPs were grown using a xylene chemical vapor deposition process, where the surface oxidized gold nanoparticles catalyze the multilayer graphene shell growth in a single step process. The graphene shell encapsulating gold nanoparticles could be further functionalized with carboxylic groups, which were covalently linked to amine-terminated quantum dots resulting in GNP-quantum dot heterostructures. The compositions, morphologies, crystallinity, and surface functionalization of GNPs and their heterostructures with quantum dots were evaluated using microscopic, spectroscopic, and analytical methods. Furthermore, optical properties of the derived architectures were studied using both experimental methods and simulations. Finally, GNP-quantum dot heterostructures were studied for photocatalytic degradation of phenol.

Coaxial metal-oxide-semiconductor (MOS) Au/Ga2O3/GaN nanowires.

PubMed

Hsieh, Chin-Hua; Chang, Mu-Tung; Chien, Yu-Jen; Chou, Li-Jen; Chen, Lih-Juann; Chen, Chii-Dong

2008-10-01

Coaxial metal-oxide-semiconductor (MOS) Au-Ga2O3-GaN heterostructure nanowires were successfully fabricated by an in situ two-step process. The Au-Ga2O3 core-shell nanowires were first synthesized by the reaction of Ga powder, a mediated Au thin layer, and a SiO2 substrate at 800 degrees C. Subsequently, these core-shell nanowires were nitridized in ambient ammonia to form a GaN coating layer at 600 degrees C. The GaN shell is a single crystal, an atomic flat interface between the oxide and semiconductor that ensures that the high quality of the MOS device is achieved. These novel 1D nitride-based MOS nanowires may have promise as building blocks to the future nitride-based vertical nanodevices.

Proposed pushered single shell capsule design for the investigation of mid/high Z mix on the NIF

NASA Astrophysics Data System (ADS)

Sacks, Ryan; Tipton, Robert; Graziani, Frank

2016-05-01

The CD Mix campaign has given a detailed explination of the mix mechanics in the current ignition capsule designs by investigating the relationship between material mixing, shell-fuel interfaces, and the change in thermonuclear yield given a deuterated layer in the capsule. Alternative ignition scenarios include the use of double shell designs that incorporate high-Z material in the capsule. Simulations are conducted on a proposed capsule platform using the ARES code on a scaled capsule design using a partially reduced glass capsule design. This allows for the inclusion of deuterium on the inner surface of the pusher layer similar to the CD mix experiments. The presence of silicon dioxide allows for the investigation of the influence of higher Z material on the mixing characteristics.

Reversible, on-demand generation of aqueous two-phase microdroplets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collier, Charles Patrick; Retterer, Scott Thomas; Boreyko, Jonathan Barton

The present invention provides methods of on-demand, reversible generation of aqueous two-phase microdroplets core-shell microbeads, microparticle preparations comprising the core-shell microbeads, and drug delivery formulation comprising the microparticle preparations. Because these aqueous microdroplets have volumes comparable to those of cells, they provide an approach to mimicking the dynamic microcompartmentation of biomaterial that naturally occurs within the cytoplasm of cells. Hence, the present methods generate femtoliter aqueous two-phase droplets within a microfluidic oil channel using gated pressure pulses to generate individual, stationary two-phase microdroplets with a well-defined time zero for carrying out controlled and sequential phase transformations over time. Reversible phasemore » transitions between single-phase, two-phase, and core-shell microbead states are obtained via evaporation-induced dehydration and water rehydration.« less

Nonobservable nature of the nuclear shell structure: Meaning, illustrations, and consequences

NASA Astrophysics Data System (ADS)

Duguet, T.; Hergert, H.; Holt, J. D.; Somà, V.

2015-09-01

Background: The concept of single-nucleon shells constitutes a basic pillar of our understanding of nuclear structure. Effective single-particle energies (ESPEs) introduced by French [Proceedings of the International School of Physics "Enrico Fermi," Course XXXVI, Varenna 1965, edited by C. Bloch (Academic Press, New York, 1966)] and Baranger [Nucl. Phys. A 149, 225 (1970), 10.1016/0375-9474(70)90692-5] represent the most appropriate tool to relate many-body observables to a single-nucleon shell structure. As briefly discussed in Duguet and Hagen [Phys. Rev. C 85, 034330 (2012), 10.1103/PhysRevC.85.034330], the dependence of ESPEs on one-nucleon transfer probability matrices makes them purely theoretical quantities that "run" with the nonobservable resolution scale λ employed in the calculation. Purpose: Given that ESPEs provide a way to interpret the many-body problem in terms of simpler theoretical ingredients, the goal is to specify the terms, i.e., the exact sense and conditions, in which this interpretation can be conducted meaningfully. Methods: While the nuclear shell structure is both scale and scheme dependent, the present study focuses on the former. A detailed discussion is provided to illustrate the scale (in)dependence of observables and nonobservables and the reasons why ESPEs, i.e., the shell structure, belong to the latter category. State-of-the-art multireference in-medium similarity renormalization group and self-consistent Gorkov Green's function many-body calculations are employed to corroborate the formal analysis. This is done by comparing the behavior of several observables and of nonobservable ESPEs (and spectroscopic factors) under (quasi) unitary similarity renormalization group transformations of the Hamiltonian parametrized by the resolution scale λ . Results: The formal proofs are confirmed by the results of ab initio many-body calculations in their current stage of implementation. In practice, the unitarity of the similarity transformations is broken owing to the omission of induced many-body interactions beyond three-body operators and to the nonexact treatment of the many-body Schrödinger equation. The impact of this breaking is first characterized by quantifying the artificial running of observables over a (necessarily) finite interval of λ values. Then the genuine running of ESPEs is characterized and shown to be convincingly larger than the one of observables (which would be zero in an exact calculation). Conclusions: The nonobservable nature of the nuclear shell structure, i.e., the fact that it constitutes an intrinsically theoretical object with no counterpart in the empirical world, must be recognized and assimilated. Indeed, the shell structure cannot be determined uniquely from experimental data and cannot be talked about in an absolute sense as it depends on the nonobservable resolution scale employed in the theoretical calculation. It is only at the price of fixing arbitrarily (but conveniently) such a scale that one can establish correlations between observables and the shell structure. To some extent, fixing the resolution scale provides ESPEs (and spectroscopic factors) with a quasi-observable character. Eventually, practitioners can refer to nuclear shells and spectroscopic factors in their analyses of nuclear phenomena if, and only if, they use consistent structure and reaction theoretical schemes based on a fixed resolution scale they have agreed on prior to performing their analysis and comparisons.

Multilayered silica-biopolymer nanocapsules with a hydrophobic core and a hydrophilic tunable shell thickness

NASA Astrophysics Data System (ADS)

Vecchione, Raffaele; Luciani, Giuseppina; Calcagno, Vincenzo; Jakhmola, Anshuman; Silvestri, Brigida; Guarnieri, Daniela; Belli, Valentina; Costantini, Aniello; Netti, Paolo A.

2016-04-01

Stable, biocompatible, multifunctional and multicompartment nanocarriers are much needed in the field of nanomedicine. Here, we report a simple, novel strategy to design an engineered nanocarrier system featuring an oil-core/hybrid polymer/silica-shell. Silica shells with a tunable thickness were grown in situ, directly around a highly mono-disperse and stable oil-in-water emulsion system, stabilized by a double bio-functional polyelectrolyte heparin/chitosan layer. Such silica showed a complete degradation in a physiological medium (SBF) in a time frame of three days. Moreover, the outer silica shell was coated with polyethyleneglycol (PEG) in order to confer antifouling properties to the final nanocapsule. The outer silica layer combined its properties (it is an optimal bio-interface for bio-conjugations and for the embedding of hydrophilic drugs in the porous structure) with the capability to stabilize the oil core for the confinement of high payloads of lipophilic tracers (e.g. CdSe quantum dots, Nile Red) and drugs. In addition, polymer layers - besides conferring stability to the emulsion while building the silica shell - can be independently exploited if suitably functionalized, as demonstrated by conjugating chitosan with fluorescein isothiocyanate. Such numerous features in a single nanocarrier system make it very intriguing as a multifunctional platform for smart diagnosis and therapy.Stable, biocompatible, multifunctional and multicompartment nanocarriers are much needed in the field of nanomedicine. Here, we report a simple, novel strategy to design an engineered nanocarrier system featuring an oil-core/hybrid polymer/silica-shell. Silica shells with a tunable thickness were grown in situ, directly around a highly mono-disperse and stable oil-in-water emulsion system, stabilized by a double bio-functional polyelectrolyte heparin/chitosan layer. Such silica showed a complete degradation in a physiological medium (SBF) in a time frame of three days. Moreover, the outer silica shell was coated with polyethyleneglycol (PEG) in order to confer antifouling properties to the final nanocapsule. The outer silica layer combined its properties (it is an optimal bio-interface for bio-conjugations and for the embedding of hydrophilic drugs in the porous structure) with the capability to stabilize the oil core for the confinement of high payloads of lipophilic tracers (e.g. CdSe quantum dots, Nile Red) and drugs. In addition, polymer layers - besides conferring stability to the emulsion while building the silica shell - can be independently exploited if suitably functionalized, as demonstrated by conjugating chitosan with fluorescein isothiocyanate. Such numerous features in a single nanocarrier system make it very intriguing as a multifunctional platform for smart diagnosis and therapy. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01192f

A finite-temperature Hartree-Fock code for shell-model Hamiltonians

NASA Astrophysics Data System (ADS)

Bertsch, G. F.; Mehlhaff, J. M.

2016-10-01

The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature properties or the Hartree-Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain the minimization by adding it to the single-particle Hamiltonian with a Lagrange multiplier. One can also constrain its expectation value in the zero-temperature code. Also the orbital filling can be constrained in the zero-temperature code, fixing the number of nucleons having given Kπ quantum numbers. This is particularly useful to resolve near-degeneracies among distinct minima.

Neutron single-particle strengths at N =40 , 42: Neutron knockout from Ni,7068 ground and isomeric states

NASA Astrophysics Data System (ADS)

Recchia, F.; Weisshaar, D.; Gade, A.; Tostevin, J. A.; Janssens, R. V. F.; Albers, M.; Bader, V. M.; Baugher, T.; Bazin, D.; Berryman, J. S.; Brown, B. A.; Campbell, C. M.; Carpenter, M. P.; Chen, J.; Chiara, C. J.; Crawford, H. L.; Hoffman, C. R.; Kondev, F. G.; Korichi, A.; Langer, C.; Lauritsen, T.; Liddick, S. N.; Lunderberg, E.; Noji, S.; Prokop, C.; Stroberg, S. R.; Suchyta, S.; Wimmer, K.; Zhu, S.

2016-11-01

The distribution of single-particle strength in Ni,6967 was characterized with one-neutron knockout reactions from intermediate-energy Ni,7068 secondary beams, selectively populating neutron-hole configurations at N =39 and 41, respectively. The spectroscopic strengths deduced from the measured partial cross sections to the individual final states, as tagged by their γ -ray decays, are used to identify and quantify neutron configurations in the wave functions. While 69Ni compares well with shell-model predictions, the results for 67Ni challenge the validity of current effective shell-model Hamiltonians by revealing discrepancies that cannot be explained so far. These results suggest that our understanding of the low-lying states in the neutron-rich, semimagic Ni isotopes may be incomplete and requires further investigation on both the experimental and theoretical sides.

M-plane core-shell InGaN/GaN multiple-quantum-wells on GaN wires for electroluminescent devices.

PubMed

Koester, Robert; Hwang, Jun-Seok; Salomon, Damien; Chen, Xiaojun; Bougerol, Catherine; Barnes, Jean-Paul; Dang, Daniel Le Si; Rigutti, Lorenzo; de Luna Bugallo, Andres; Jacopin, Gwénolé; Tchernycheva, Maria; Durand, Christophe; Eymery, Joël

2011-11-09

Nonpolar InGaN/GaN multiple quantum wells (MQWs) grown on the {11-00} sidewalls of c-axis GaN wires have been grown by organometallic vapor phase epitaxy on c-sapphire substrates. The structural properties of single wires are studied in detail by scanning transmission electron microscopy and in a more original way by secondary ion mass spectroscopy to quantify defects, thickness (1-8 nm) and In-composition in the wells (∼16%). The core-shell MQW light emission characteristics (390-420 nm at 5 K) were investigated by cathodo- and photoluminescence demonstrating the absence of the quantum Stark effect as expected due to the nonpolar orientation. Finally, these radial nonpolar quantum wells were used in room-temperature single-wire electroluminescent devices emitting at 392 nm by exploiting sidewall emission.

Exploring the utility of high resolution "nano-" computed tomography imaging to place quantitative constraints on shell biometric changes in marine pteropods in response to ocean acidification

NASA Astrophysics Data System (ADS)

Eagle, R.; Howes, E.; Lischka, S.; Rudolph, R.; Büdenbender, J.; Bijma, J.; Gattuso, J. P.; Riebesell, U.

2014-12-01

Understanding and quantifying the response of marine organisms to present and future ocean acidification remains a major challenge encompassing observations on single species in culture and scaling up to the ecosystem and global scale. Understanding calcification changes in culture experiments designed to simulate present and future ocean conditions under potential CO2 emissions scenarios, and especially detecting the likely more subtle changes that may occur prior to the onset of more extreme ocean acidification, depends on the tools available. Here we explore the utility of high-resolution computed tomography (nano-CT) to provide quantitative biometric data on field collected and cultured marine pteropods, using the General Electric Company Phoenix Nanotom S Instrument. The technique is capable of quantitating the whole shell of the organism, allowing shell dimensions to be determined as well as parameters such as average shell thickness, the variation in thickness across the whole shell and in localized areas, total shell volume and surface area and when combined with weight measurements shell density can be calculated. The potential power of the technique is the ability to derive these parameters even on very small organisms less than 1 millimeter in size. Tuning the X-ray strength of the instrument allows organic material to be excluded from the analysis. Through replicate analysis of standards, we assess the reproducibility of data, and by comparison with dimension measurements derived from light microscopy we assess the accuracy of dimension determinations. We present results from historical and modern pteropod populations from the Mediterranean and cultured polar pteropods, resolving statistically significant differences in shell biometrics in both cases that may represent responses to ocean acidification.

Neural correlates of Pavlovian-to-instrumental transfer in the nucleus accumbens shell are selectively potentiated following cocaine self-administration

PubMed Central

Saddoris, Michael P.; Stamatakis, Alice; Carelli, Regina M.

2013-01-01

During Pavlovian-to-instrumental transfer (PIT), learned Pavlovian cues significantly modulate ongoing instrumental actions. This phenomenon is suggested as a mechanism under which conditioned stimuli may lead to relapse in addicted populations. Following discriminative Pavlovian learning and instrumental conditioning with sucrose, one group of rats (naive) underwent electrophysiological recordings in the nucleus accumbens core and shell during a single PIT session. Other groups, following Pavlovian and instrumental conditioning, were subsequently trained to self-administer cocaine with nosepoke responses, or received yoked saline infusions and nosepoked for water rewards, and then performed PIT while electrophysiological recordings were taken in the nucleus accumbens. Behaviorally, although both naive and saline-treated groups showed increases in lever pressing during the conditioned stimulus cue, this effect was significantly enhanced in the cocaine-treated group. Neurons in the core and shell tracked these behavioral changes. In control animals, core neurons were significantly more likely to encode general information about cues, rewards and responses than those in the shell, and positively correlated with behavioral PIT performance, whereas PIT-specific encoding in the shell, but not core, tracked PIT performance. In contrast, following cocaine exposure, there was a significant increase in neural encoding of all task-relevant events that was selective to the shell. Given that cocaine exposure enhanced both behavior and shell-specific task encoding, these findings suggest that, whereas the core is important for acquiring the information about cues and response contingencies, the shell is important for using this information to guide and modulate behavior and is specifically affected following a history of cocaine self-administration. PMID:21507084

ZnO@MnO2 Core-Shell Nanofiber Cathodes for High Performance Asymmetric Supercapacitors.

PubMed

Radhamani, A V; Shareef, K M; Rao, M S Ramachandra

2016-11-09

Asymmetric supercapacitors (ASCs) with aqueous electrolyte medium have recently become the focus of increasing research. For high performance ASCs, selection of cathode materials play a crucial role, and core-shell nanostructures are found to be a good choice. We successfully synthesized, ZnO@MnO 2 core-shell nanofibers (NFs) by modification of high-aspect-ratio-electrospun ZnO NFs hydrothermally with MnO 2 nanoflakes. High conductivity of the ZnO NFs and the exceptionally high pseudocapacitive nature of MnO 2 nanoflakes coating delivered a specific capacitance of 907 Fg -1 at 0.6 Ag -1 for the core-shell NFs. A simple and cost-effective ASC construction was demonstrated with ZnO@MnO 2 NFs as a battery-type cathode material and a commercial-quality activated carbon as a capacitor-type anode material. The fabricated device functioned very well in a voltage window of 0-2.0 V, and a red-LED was illuminated using a single-celled fabricated ASC device. It was found to deliver a maximum energy density of 17 Whkg -1 and a power density of 6.5 kWkg -1 with capacitance retention of 94% and Coulombic efficiency of 100%. The novel architecture of the ZnO@MnO 2 core-shell nanofibrous material implies the importance of using simple design of fiber-based electrode material by mere changes of core and shell counterparts.

Low fuel convergence path to ignition on the NIF

NASA Astrophysics Data System (ADS)

Schmitt, M. J.; Molvig, Kim; Gianakon, T. A.; Woods, C. N.; Krasheninnikova, N. S.; Hsu, S. C.; Schmidt, D. W.; Dodd, E. S.; Zylstra, Alex; Scheiner, B.; McKenty, P.; Campbell, E. M.; Froula, D.; Betti, R.; Michel, T.

2017-10-01

A novel concept for achieving ignition on the NIF is proposed that obviates current issues plaguing single-shell high-convergence capsules. A large directly-driven Be shell is designed to robustly implode two nested internal shells by efficiently converting 1.7MJ of laser energy from a 6 ns, low intensity laser pulse, into a 1 ns dynamic pressure pulse to ignite and burn a central liquid DT core after a fuel convergence of only 9. The short, low intensity laser pulse mitigates LPI allowing more uniform laser drive of the target and eliminates hot e-, preheat and laser zooming issues. Preliminary rad-hydro simulations predict ignition initiation with 90% maximum inner shell velocity, before deceleration Rayleigh-Taylor growth can cause significant pusher shell mix into the compressed DT fuel. The gold inner pusher shell reduces pre-ignition radiation losses from the fuel allowing ignition to occur at 2.5keV. Further 2D simulations show that the short pulse design results in a spatially uniform kinetic drive that is tolerant to variations in laser cone power. A multi-pronged effort, in collaboration with LLE, is progressing to optimize this design for NIF's PDD laser configuration. Work performed under the auspices of the U.S. Dept. of Energy by the Los Alamos National Security, LLC, Los Alamos National Laboratory under contract DE-FG02-051ER54810.

Designing of luminescent GdPO4:Eu@LaPO4@SiO2 core/shell nanorods: Synthesis, structural and luminescence properties

NASA Astrophysics Data System (ADS)

Ansari, Anees A.; Labis, Joselito P.; Aslam Manthrammel, M.

2017-09-01

GdPO4:Eu3+ (core) and GdPO4:Eu@LaPO4 (core/shell) nanorods (NRs) were successfully prepared by urea based co-precipitation process at ambient conditions which was followed by coating with amorphous silica shell via the sol-gel chemical route. The role of surface coating on the crystal structure, crystallinity, morphology, solubility, surface chemistry and luminescence properties were well investigated by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, Fourier Transform Infrared (FTIR), UV-Vis, and photoluminescence spectroscopy. XRD pattern revealed highly purified, well-crystalline, single phase-hexagonal-rhabdophane structure of GdPO4 crystal. The TEM micrographs exhibited highly crystalline and narrow size distributed rod-shaped GdPO4:Eu3+ nanostructures with average width 14-16 nm and typical length 190-220 nm. FTIR spectra revealed characteristic infrared absorption bands of amorphous silica. High absorbance in a visible region of silica modified core/shell/Si NRs in aqueous environment suggests the high solubility along with colloidal stability. The photoluminescence properties were remarkably enhanced after growth of undoped LaPO4 layers due to the reduction of nonradiative transition rate. The advantages of presented high emission intensity and high solubility of core/shell and core/shell/Si NRs indicated the potential applications in monitoring biological events.

Resonance frequencies of lipid-shelled microbubbles in the regime of nonlinear oscillations

PubMed Central

Doinikov, Alexander A.; Haac, Jillian F.; Dayton, Paul A.

2009-01-01

Knowledge of resonant frequencies of contrast microbubbles is important for the optimization of ultrasound contrast imaging and therapeutic techniques. To date, however, there are estimates of resonance frequencies of contrast microbubbles only for the regime of linear oscillation. The present paper proposes an approach for evaluating resonance frequencies of contrast agent microbubbles in the regime of nonlinear oscillation. The approach is based on the calculation of the time-averaged oscillation power of the radial bubble oscillation. The proposed procedure was verified for free bubbles in the frequency range 1–4 MHz and then applied to lipid-shelled microbubbles insonified with a single 20-cycle acoustic pulse at two values of the acoustic pressure amplitude, 100 kPa and 200 kPa, and at four frequencies: 1.5, 2.0, 2.5, and 3.0 MHz. It is shown that, as the acoustic pressure amplitude is increased, the resonance frequency of a lipid-shelled microbubble tends to decrease in comparison with its linear resonance frequency. Analysis of existing shell models reveals that models that treat the lipid shell as a linear viscoelastic solid appear may be challenged to provide the observed tendency in the behavior of the resonance frequency at increasing acoustic pressure. The conclusion is drawn that the further development of shell models could be improved by the consideration of nonlinear rheological laws. PMID:18977009

Vertical Electron Detachment Energies for Octahedral Closed-Shell Multiply Charged Anions

DTIC Science & Technology

1994-04-22

however, at low theoretical levels, motivating us to extend the investigations to: a) higher levels of theory, b) analogous closed-shell singly- and...hundredths of an eV. This further supports our choice of SBKJ+diff as the basis set for the production runs. The SCF relaxation energies for F- and Cl...intensities for the product molecules ML 5(’)" (D3h) and ML 4 (n-2 )" 15 (Td) were determined at the SCF/SBKJ level and are reported in Table V

Nanowebs and nanocables of silicon carbide

NASA Astrophysics Data System (ADS)

Shim, Hyun Woo; Huang, Hanchen

2007-08-01

This paper presents two novel hierarchical structures of SiC-SiO2 core-shell nanowires: (a) nanocables in the form of multi-core and single shell and (b) nanowebs in the form of intersecting nanowires and nanocables, augmented by variable amounts of SiO2 membranes. The two structures are controllable through variations of substrate temperature and source chemistry. The hierarchical nanostructures, together with the controllability, may offer superb mechanical properties in composite applications. Finally, the authors propose a model of nanowebs and nanocables formation, as a result of nanowires intersection and alignment.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petersen, C.A., Westinghouse Hanford

The overall objective of this report is to provide a technical basis to support a U.S. Nuclear Regulatory Commission determination to classify the low-activity waste from the Hanford Site single-shell and double-shell tanks as `incidental` wastes after removal of additional radionuclides and immobilization.The proposed processing method, in addition to the previous radionuclide removal efforts, will remove the largest practical amount of total site radioactivity, attributable to high-level wastes, for disposal in a deep geologic repository. The remainder of the waste would be considered `incidental` waste and could be disposed onsite.

Bio-Magnetics Interfacing Concepts: A Microfluidic System Using Magnetic Nanoparticles for Quantitative Detection of Biological Species

DTIC Science & Technology

2004-09-30

nanoparticles that consist of a polymer coated ?-Fe2O3 superparamagnetic core and CdSe/ZnS quantum dots (QDs) shell. A single layer of QDs was bound to the...Fe2O3) with polymer coating, the scale bar is 20 nm; b) A TEM image of QDs magnetic beads core-shell nanoparticles. The scale bar is 20 nm. c) A High...common practice in microfluidic/GMR sensor integration is using hybrid approaches by adding-on polymer based fluidic structures (such as PDMS fluidic

The limits of hamiltonian structures in three-dimensional elasticity, shells, and rods

NASA Astrophysics Data System (ADS)

Ge, Z.; Kruse, H. P.; Marsden, J. E.

1996-01-01

This paper uses Hamiltonian structures to study the problem of the limit of three-dimensional (3D) elastic models to shell and rod models. In the case of shells, we show that the Hamiltonian structure for a three-dimensional elastic body converges, in a sense made precise, to that for a shell model described by a one-director Cosserat surface as the thickness goes to zero. We study limiting procedures that give rise to unconstrained as well as constrained Cosserat director models. The case of a rod is also considered and similar convergence results are established, with the limiting model being a geometrically exact director rod model (in the framework developed by Antman, Simo, and coworkers). The resulting model may or may not have constraints, depending on the nature of the constitutive relations and their behavior under the limiting procedure. The closeness of Hamiltonian structures is measured by the closeness of Poisson brackets on certain classes of functions, as well as the Hamiltonians. This provides one way of justifying the dynamic one-director model for shells. Another way of stating the convergence result is that there is an almost-Poisson embedding from the phase space of the shell to the phase space of the 3D elastic body, which implies that, in the sense of Hamiltonian structures, the dynamics of the elastic body is close to that of the shell. The constitutive equations of the 3D model and their behavior as the thickness tends to zero dictates whether the limiting 2D model is a constrained or an unconstrained director model. We apply our theory in the specific case of a 3D Saint Venant-Kirchhoff material and derive the corresponding limiting shell and rod theories. The limiting shell model is an interesting Kirchhoff-like shell model in which the stored energy function is explicitly derived in terms of the shell curvature. For rods, one gets (with an additional inextensibility constraint) a one-director Kirchhoff elastic rod model, which reduces to the well-known Euler elastica if one adds an additional single constraint that the director lines up with the Frenet frame.

Toward high performance nanoscale optoelectronic devices: super solar energy harvesting in single standing core-shell nanowire.

PubMed

Zhou, Jian; Wu, Yonggang; Xia, Zihuan; Qin, Xuefei; Zhang, Zongyi

2017-11-27

Single nanowire solar cells show great promise for next-generation photovoltaics and for powering nanoscale devices. Here, we present a detailed study of light absorption in a single standing semiconductor-dielectric core-shell nanowire (CSNW). We find that the CSNW structure can not only concentrate the incident light into the structure, but also confine most of the concentrated light to the semiconductor core region, which boosts remarkably the light absorption cross-section of the semiconductor core. The CSNW can support multiple higher-order HE modes, as well as Fabry-Pérot (F-P) resonance, compared to the bare nanowire (BNW). Overlapping of the adjacent higher-order HE modes results in broadband light absorption enhancement in the solar radiation spectrum. Results based on detailed balance analysis demonstrate that the super light concentration of the single CSNW gives rise to higher short-circuit current and open-circuit voltage, and thus higher apparent power conversion efficiency (3644.2%), which goes far beyond that of the BNW and the Shockley-Queisser limit that restricts the performance of a planar counterparts. Our study shows that the single CSNW can be a promising platform for construction of high performance nanoscale photodetectors, nanoelectronic power sources, super miniature cells, and diverse integrated nanosystems.

Dock ’n Roll: Folding of a Silk-Inspired Polypeptide into an Amyloid-like Beta Solenoid

PubMed Central

Zhao, Binwu; Cohen Stuart, Martien A.; Hall, Carol K.

2016-01-01

Polypeptides containing the motif ((GA)mGX)n occur in silk (we refer to them as ‘silk-like’) and have a strong tendency to self-assemble. For example, polypeptides containing (GAGAGAGX)n, where X = G or H have been observed to form filaments; similar sequences but with X = Q have been used in the design of coat proteins (capsids) for artificial viruses. The structure of the (GAGAGAGX)m filaments has been proposed to be a stack of peptides in a β roll structure with the hydrophobic side chains pointing outwards (hydrophobic shell). Another possible configuration, a β roll or β solenoid structure which has its hydrophobic side chains buried inside (hydrophobic core) was, however, overlooked. We perform ground state analysis as well as atomic-level molecular dynamics simulations, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the hydrophobic shell configuration is the most stable one. We find that a stack of two hydrophobic core molecules is energetically more favorable than a stack of two shell molecules. A shell molecule initially placed in a perfect β roll structure tends to rotate its strands, breaking in-plane hydrogen bonds and forming out-of-plane hydrogen bonds, while a core molecule stays in the β roll structure. The hydrophobic shell structure has type II’ β turns whereas the core configuration has type II β turns; only the latter secondary structure agrees well with solid-state NMR experiments on a similar sequence (GA)15. We also observe that the core stack has a higher number of intra-molecular hydrogen bonds and a higher number of hydrogen bonds between stack and water than the shell stack. Hence, we conclude that the hydrophobic core configuration is the most likely structure. In the stacked state, each peptide has more intra-molecular hydrogen bonds than a single folded molecule, which suggests that stacking provides the extra stability needed for molecules to reach the folded state. PMID:26947809

Strategies for alignment and e-beam contact to buried atomic-precision devices in Si

NASA Astrophysics Data System (ADS)

Wyrick, Jonathan; Namboodiri, Pradeep; Wang, Xiqiao; Murray, Roy; Hagmann, Joseph; Li, Kai; Stewart, Michael; Richter, Curt; Silver, Richard

STM based hydrogen lithography has proven to be a viable route to fabrication of atomic-precision electronic devices. The strength of this technique is the ability to control the lateral placement of phosphorus atoms in a single atomic layer of Si with sub-nanometer resolution. However, because of limitations in the rate at which a scanning probe can pattern a device, as well as the ultimate size of contacts that can be fabricated (on the order of a micron in length), making electrical contact to STM fabricated devices encased in Si is nontrivial. One commonly implemented solution to this challenge is to choose the exact location on a Si surface where a device is to be patterned by STM and to design fiducials to aid in navigating the probe to that predetermined location. We present results from an alternate strategy for contacting buried devices based on performing the STM lithography fabrication first, and determination of the buried structure location after the fact using topographically identifiable STM fabricated fiducials. AFM, scanning capacitance, and peak force Kelvin microscopy as well as optical microscopy techniques are evaluated as a means for device relocation and to quantify the comparative accuracy of these techniques.

Oscillatory magnetic tweezers based on ferromagnetic beads and simple coaxial coils

NASA Astrophysics Data System (ADS)

Trepat, Xavier; Grabulosa, Mireia; Buscemi, Lara; Rico, Fèlix; Fabry, Ben; Fredberg, Jeffrey J.; Farré, Ramon

2003-09-01

We report the design and validation of simple magnetic tweezers for oscillating ferromagnetic beads in the piconewton and nanometer scales. The system is based on a single pair of coaxial coils operating in two sequential modes: permanent magnetization of the beads through a large and brief pulse of magnetic field and generation of magnetic gradients to produce uniaxial oscillatory forces. By using this two step method, the magnetic moment of the beads remains constant during measurements. Therefore, the applied force can be computed and varies linearly with the driving signal. No feedback control is required to produce well defined force oscillations over a wide bandwidth. The design of the coils was optimized to obtain high magnetic fields (280 mT) and gradients (2 T/m) with high homogeneity (5% variation) within the sample. The magnetic tweezers were implemented in an inverted optical microscope with a videomicroscopy-based multiparticle tracking system. The apparatus was validated with 4.5 μm magnetite beads obtaining forces up to ˜2 pN and subnanometer resolution. The applicability of the device includes microrheology of biopolymer and cell cytoplasm, molecular mechanics, and mechanotransduction in living cells.

Grazing Incidence Optics Technology

NASA Technical Reports Server (NTRS)

Ramsey, Brian; Smith, W. Scott; Gubarev, Mikhail; McCracken, Jeff

2015-01-01

This project is to demonstrate the capability to directly fabricate lightweight, high-resolution, grazing-incidence x-ray optics using a commercially available robotic polishing machine. Typical x-ray optics production at NASA Marshall Space Flight Center (MSFC) uses a replication process in which metal mirrors are electroformed on to figured and polished mandrels from which they are later removed. The attraction of this process is that multiple copies can be made from a single master. The drawback is that the replication process limits the angular resolution that can be attained. By directly fabricating each shell, errors inherent in the replication process are removed. The principal challenge now becomes how to support the mirror shell during all aspects of fabrication, including the necessary metrology to converge on the required mirror performance specifications. This program makes use of a Zeeko seven-axis computer-controlled polishing machine (see fig. 1) and supporting fabrication, metrology, and test equipment at MSFC. The overall development plan calls for proof-of-concept demonstration with relatively thick mirror shells (5-6 mm, fig. 2) which are straightforward to support and then a transition to much thinner shells (2-3 mm), which are an order of magnitude thinner than those used for Chandra. Both glass and metal substrates are being investigated. Currently, a thick glass shell is being figured. This has enabled experience to be gained with programming and operating the polishing machine without worrying about shell distortions or breakage. It has also allowed time for more complex support mechanisms for figuring/ polishing and metrology to be designed for the more challenging thinner shells. These are now in fabrication. Figure 1: Zeeko polishing machine.

Shell egg handling and preparation practices in food service establishments in Finland.

PubMed

Lievonen, S; Ranta, J; Maijala, R

2007-10-01

Foodborne outbreaks are often reported to be acquired at food service establishments. As a part of a quantitative risk assessment on the consumer risk of contracting Salmonella infection via shell eggs, we studied how small, medium, and large restaurants, institutional kitchens, and staff canteens (n=171) purchase, store, and use shell eggs. In addition, we estimated the fraction of raw and undercooked risky egg dishes among all egg dishes served in food service establishments of different sizes and types. The majority of establishments used shell eggs (78%), purchased eggs once per week (39%), and stored eggs at cool temperatures (82%). The size of the food service establishment had a less significant effect on shell egg preparation and handling practices than the type of the establishment. In particular, restaurants and institutional kitchens differed from each other. Restaurants purchased shell eggs more frequently, were more likely to store them at room temperature, stored shell eggs for a shorter period, and were more likely to prepare undercooked egg dishes than institutional kitchens. It was predicted that 6 to 20% of all different egg dishes prepared in a single randomly chosen food service establishment would be risky egg dishes with a 95% Bayesian credible interval of 0 to 96%, showing uncertainty because of the variability between kitchens and uncertainty in kitchen type-specific parameters. The results indicate that although most Finnish food service establishments had safe egg handling practices, a substantial minority expressed risky behavior. Compared with the egg consumption patterns in private Finnish households, however, practices in food service establishments did not prove to be more prone to risk.

Modeling delamination growth in composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reedy, E.D. Jr.; Mello, F.J.

1996-12-01

A method for modeling the initiation and growth of discrete delaminations in shell-like composite structures is presented. The laminate is divided into two or more sublaminates, with each sublaminate modeled with four-noded quadrilateral shell elements. A special, eight-noded hex constraint element connects opposing sublaminate shell elements. It supplies the nodal forces and moments needed to make the two opposing shell elements act as a single shell element until a prescribed failure criterion is satisfied. Once the failure criterion is attained, the connection is broken, creating or growing a discrete delamination. This approach has been implemented in a 3D finite elementmore » code. This code uses explicit time integration, and can analyze shell-like structures subjected to large deformations and complex contact conditions. The shell elements can use existing composite material models that include in-plane laminate failure modes. This analysis capability was developed to perform crashworthiness studies of composite structures, and is useful whenever there is a need to estimate peak loads, energy absorption, or the final shape of a highly deformed composite structure. This paper describes the eight-noded hex constraint element used to model the initiation and growth of a delamination, and discusses associated implementation issues. Particular attention is focused on the delamination growth criterion, and it is verified that calculated results do not depend on element size. In addition, results for double cantilever beam and end notched flexure specimens are presented and compared to measured data to assess the ability of the present approach to model a growing delamination.« less

Shell-crossing in quasi-one-dimensional flow

NASA Astrophysics Data System (ADS)

Rampf, Cornelius; Frisch, Uriel

2017-10-01

Blow-up of solutions for the cosmological fluid equations, often dubbed shell-crossing or orbit crossing, denotes the breakdown of the single-stream regime of the cold-dark-matter fluid. At this instant, the velocity becomes multi-valued and the density singular. Shell-crossing is well understood in one dimension (1D), but not in higher dimensions. This paper is about quasi-one-dimensional (Q1D) flow that depends on all three coordinates but differs only slightly from a strictly 1D flow, thereby allowing a perturbative treatment of shell-crossing using the Euler-Poisson equations written in Lagrangian coordinates. The signature of shell-crossing is then just the vanishing of the Jacobian of the Lagrangian map, a regular perturbation problem. In essence, the problem of the first shell-crossing, which is highly singular in Eulerian coordinates, has been desingularized by switching to Lagrangian coordinates, and can then be handled by perturbation theory. Here, all-order recursion relations are obtained for the time-Taylor coefficients of the displacement field, and it is shown that the Taylor series has an infinite radius of convergence. This allows the determination of the time and location of the first shell-crossing, which is generically shown to be taking place earlier than for the unperturbed 1D flow. The time variable used for these statements is not the cosmic time t but the linear growth time τ ˜ t2/3. For simplicity, calculations are restricted to an Einstein-de Sitter universe in the Newtonian approximation, and tailored initial data are used. However it is straightforward to relax these limitations, if needed.

Thermal annealing dynamics of carbon-coated LiFePO{sub 4} nanoparticles studied by in-situ analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krumeich, Frank, E-mail: krumeich@inorg.chem.ethz.ch; Waser, Oliver; Pratsinis, Sotiris E.

The thermal behavior of core-shell carbon-coated lithium iron phosphate (LiFePO{sub 4}-C) nanoparticles made by flame spray pyrolysis (FSP) during annealing was investigated by in-situ transmission electron microscopy (TEM), in-situ X-ray powder diffraction (XRD) as well as ex-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Crystallization of the initially glassy LiFePO{sub 4}-C nanoparticles starts at quite low temperatures (T=400 °C), forming single crystals inside the confinement of the carbon shell. Upon increasing the temperature to T≥700 °C, LiFePO{sub 4} starts to diffuse through the carbon shell resulting in cavities inside the mostly intact carbon shell. By increasing the temperature further tomore » T≥800 °C, the initial core-shell morphology converts into open carbon shells (flakes and cenospheres) and bulky LiFePO{sub 4} particles (diameter in the range 300–400 nm), in agreement with ex-situ experiments. - Graphical abstract: TEM images of a typical sample area recorded at room temperature and after heating in-situ heating reveal the growth of particles and the formation of empty carbon cages. - Highlights: • LiFePO{sub 4} coated by a carbon shell is produced by flame spray pyrolysis. • The amorphous LiFePO{sub 4} starts to crystallize at 400 °C as revealed by in-situ XRD. • Crystal growth was visualized by TEM heating experiments. • The formation of empty carbon cages starts at 700 °C.« less

Anomalous Dynamical Behavior of Freestanding Graphene Membranes

NASA Astrophysics Data System (ADS)

Ackerman, M. L.; Kumar, P.; Neek-Amal, M.; Thibado, P. M.; Peeters, F. M.; Singh, Surendra

2016-09-01

We report subnanometer, high-bandwidth measurements of the out-of-plane (vertical) motion of atoms in freestanding graphene using scanning tunneling microscopy. By tracking the vertical position over a long time period, a 1000-fold increase in the ability to measure space-time dynamics of atomically thin membranes is achieved over the current state-of-the-art imaging technologies. We observe that the vertical motion of a graphene membrane exhibits rare long-scale excursions characterized by both anomalous mean-squared displacements and Cauchy-Lorentz power law jump distributions.

Heterodyne common-path grating interferometer with Littrow configuration.

PubMed

Wu, Chyan-Chyi; Hsu, Cheng-Chih; Lee, Ju-Yi; Chen, Yan-Zou

2013-06-03

This paper presents a heterodyne common-path grating interferometer with Littrow configuration (HCGIL). The HCGIL can effectively overcome environmental disturbance effect and the DC offset and the amplitude variation of the measurement signals. Experimental results match well with the HP5529A results for long-range measurements. Results also show that the estimated measurement resolution is 0.15 ± 0.027 nm. The stability of the HCGIL is -0.41 ± 0.23 nm. Therefore, the HCGIL has potential for subnanometer resolution and long-range applications.

Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density.

PubMed

Matvejev, V; Zizi, M; Stiens, J

2012-12-06

Solvation in water requires minimizing the perturbations in its hydrogen bonded network. Hence solutes distort water molecular motions in a surrounding domain, forming a molecule-specific hydration shell. The properties of those hydration shells impact the structure and function of the solubilized molecules, both at the single molecule and at higher order levels. The size of the hydration shell and the picoseconds time-scale water dynamics retardation are revealed by terahertz (THz) absorption coefficient measurements. Room-temperature absorption coefficient at f = 0.28 [THz] is measured as a function of alcohol concentration in aqueous methanol, ethanol, 1,2-propanol, and 1-butanol solutions. Highly diluted alcohol measurements and enhanced overall measurement accuracy are achieved with a THz absorption measurement technique of nL-volume liquids in a capillary tube. In the absorption analysis, bulk and interfacial molecular domains of water and alcohol are considered. THz ideal and excess absorption coefficients are defined in accordance with thermodynamics mixing formulations. The parameter extraction method is developed based on a THz excess absorption model and hydrated solute molecule packing density representation. First, the hydration shell size is deduced from the hydrated solute packing densities at two specific THz excess absorption nonlinearity points: at infinite alcohol dilution (IAD) and at the THz excess absorption extremum (EAE). Consequently, interfacial water and alcohol molecular domain absorptions are deduced from the THz excess absorption model. The hydration shell sizes obtained at the THz excess absorption extremum are in excellent agreement with other reports. The hydration shells of methanol, ethanol, 1- and 2-propanol consist of 13.97, 22.94, 22.99, and 31.10 water molecules, respectively. The hydration shell water absorption is on average 0.774 ± 0.028 times the bulk water absorption. The hydration shell parameters might shed light on hydration dynamics of biomolecules.

Direct characterization of the native structure and mechanics of cyanobacterial carboxysomes.

PubMed

Faulkner, Matthew; Rodriguez-Ramos, Jorge; Dykes, Gregory F; Owen, Siân V; Casella, Selene; Simpson, Deborah M; Beynon, Robert J; Liu, Lu-Ning

2017-08-03

Carboxysomes are proteinaceous organelles that play essential roles in enhancing carbon fixation in cyanobacteria and some proteobacteria. These self-assembling organelles encapsulate Ribulose 1,5-bisphosphate carboxylase/oxygenase (Rubisco) and carbonic anhydrase using a protein shell structurally resembling an icosahedral viral capsid. The protein shell serves as a physical barrier to protect enzymes from the cytosol and a selectively permeable membrane to mediate transport of enzyme substrates and products. The structural and mechanical nature of native carboxysomes remain unclear. Here, we isolate functional β-carboxysomes from the cyanobacterium Synechococcus elongatus PCC7942 and perform the first characterization of the macromolecular architecture and inherent physical mechanics of single β-carboxysomes using electron microscopy, atomic force microscopy (AFM) and proteomics. Our results illustrate that the intact β-carboxysome comprises three structural domains, a single-layered icosahedral shell, an inner layer and paracrystalline arrays of interior Rubisco. We also observe the protein organization of the shell and partial β-carboxysomes that likely serve as the β-carboxysome assembly intermediates. Furthermore, the topography and intrinsic mechanics of functional β-carboxysomes are determined in native conditions using AFM and AFM-based nanoindentation, revealing the flexible organization and soft mechanical properties of β-carboxysomes compared to rigid viruses. Our study provides new insights into the natural characteristics of β-carboxysome organization and nanomechanics, which can be extended to diverse bacterial microcompartments and are important considerations for the design and engineering of functional carboxysomes in other organisms to supercharge photosynthesis. It offers an approach for inspecting the structural and mechanical features of synthetic metabolic organelles and protein scaffolds in bioengineering.

Differential Deposition for Surface Figure Corrections in Grazing Incidence X-Ray Optics

NASA Technical Reports Server (NTRS)

Ramsey, Brian D.; Kilaru, Kiranmayee; Atkins, Carolyn; Gubarev, Mikhail V.; Broadway, David M.

2015-01-01

Differential deposition corrects the low- and mid- spatial-frequency deviations in the axial figure of Wolter-type grazing incidence X-ray optics. Figure deviations is one of the major contributors to the achievable angular resolution. Minimizing figure errors can significantly improve the imaging quality of X-ray optics. Material of varying thickness is selectively deposited, using DC magnetron sputtering, along the length of optic to minimize figure deviations. Custom vacuum chambers are built that can incorporate full-shell and segmented Xray optics. Metrology data of preliminary corrections on a single meridian of full-shell x-ray optics show an improvement of mid-spatial frequencies from 6.7 to 1.8 arc secs HPD. Efforts are in progress to correct a full-shell and segmented optics and to verify angular-resolution improvement with X-ray testing.

Defined polymer shells on nanoparticles via a continuous aerosol-based process

NASA Astrophysics Data System (ADS)

Sigmund, Stephanie; Akgün, Ertan; Meyer, Jörg; Hubbuch, Jürgen; Wörner, Michael; Kasper, Gerhard

2014-08-01

A continuous aerosol-based process is described for the encapsulation of nanoparticles with a thin polymer shell. The process is essentially based on directed binary collisions between gas-borne core particles and liquid monomer droplets carrying opposite electrical charges, followed by photo-initiated polymerization. Once the two streams are mixed together, the process runs to completion on a time scale of about 2 min or less, required for coagulation and polymerization. Gold, silica, and sodium chloride nanoparticles were successfully coated by this technique with PHDDA [poly(hexanediol diacrylate)] and/or crosslinked PMMA [poly(methyl methacrylate)]. It was found that all core materials as well as agglomerates were wettable at room temperature and that the spreading kinetics of the monomer were fast enough to cover the core particles uniformly within the time scale provided for coagulation. The shell thickness depends on the volume ratio between core particles and monomer droplets. This was demonstrated for a combination of monodisperse silica spheres ( d = 241 nm) and polydisperse methyl methacrylate droplets, resulting in a theoretical shell thickness of 18 nm. There was very good agreement between measurements by TEM and electrical mobility spectroscopy. The results revealed that about 90 % or more of the core-shell structures were formed from 1:1 collisions between a core particle and a single monomer droplet.

Multiconfigurational short-range density-functional theory for open-shell systems

NASA Astrophysics Data System (ADS)

Hedegârd, Erik Donovan; Toulouse, Julien; Jensen, Hans Jørgen Aagaard

2018-06-01

Many chemical systems cannot be described by quantum chemistry methods based on a single-reference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important configurations (static correlation) and obtaining dynamical correlation efficiently. The former is most naturally done through a multiconfigurational (MC) wave function, whereas the latter can be done by, e.g., perturbation theory. We have employed a different strategy, namely, a hybrid between multiconfigurational wave functions and density-functional theory (DFT) based on range separation. The method is denoted by MC short-range DFT (MC-srDFT) and is more efficient than perturbative approaches as it capitalizes on the efficient treatment of the (short-range) dynamical correlation by DFT approximations. In turn, the method also improves DFT with standard approximations through the ability of multiconfigurational wave functions to recover large parts of the static correlation. Until now, our implementation was restricted to closed-shell systems, and to lift this restriction, we present here the generalization of MC-srDFT to open-shell cases. The additional terms required to treat open-shell systems are derived and implemented in the DALTON program. This new method for open-shell systems is illustrated on dioxygen and [Fe(H2O)6]3+.

Temperature and hydrostatic pressure effects on single dopant states in hollow cylindrical core-shell quantum dot

NASA Astrophysics Data System (ADS)

El-Yadri, M.; Aghoutane, N.; El Aouami, A.; Feddi, E.; Dujardin, F.; Duque, C. A.

2018-05-01

This work reports on theoretical investigation of the temperature and hydrostatic pressure effects on the confined donor impurity in a AlGaAs-GaAs hollow cylindrical core-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with approximately rigid walls. Within the framework of the effective-mass approximation and by using a variational approach, we have computed the donor binding energies as a function of the shell size in order to study the behavior of the electron-impurity attraction for a very small thickness under the influence of both temperature and hydrostatic pressure. Our results show that the temperature and hydrostatic pressure have a significant influence on the impurity binding energy for large shell quantum dots. It will be shown that the binding energy is more pronounced with increasing pressure and decreasing temperature for any impurity position and quantum dot size. The photoionization cross section is also analyzed by considering only the in-plane incident radiation polarization. Its behavior is investigated as a function of photon energy for different values of pressure and temperature. The opposite effects caused by temperature and hydrostatic pressure reveal a big practical interest and offer an alternative way to tuning of correlated electron-impurity transitions in optoelectronic devices.

Preparation of core-shell Ti-Nb oxide nanocrystals

NASA Astrophysics Data System (ADS)

Simakov, David S. A.; Tsur, Yoed

2008-01-01

Nanosized powders of Ti-Nb oxide core-shell nanocrystals with atomic ratios of Nb/Ti = 0.11, 0.25, and 0.38 have been prepared by two preparation routes. The first route was co-precipitation, followed by␣annealing, using NbCl5 as a source of Nb. The second route was coating of pure TiO2 nanocrystals by Nb-isopropoxide in liquid medium, followed by impregnation of the Nb into the nanoparticles by annealing. Both methods yielded anatase nanocrystals with a Nb-rich shell and a core, which had much lower Nb loadings. The anatase structure solid solution (with Nb incorporated) was stable under annealing up to 760°C. The particle size remained within the nanometric scale ( <50 nm) under heat-treatment up to 760°C. It has been shown that the fabricated powders can be redispersed in aqueous media by simple ultrasound treatment, resulting in nanosized dispersions. Using a variety of analytical techniques, including depth profiling of single nanocrystallites by AES combined with sputtering by Ar ions, the mechanism of the core-shell structure creation was studied. It is proposed that the formation of the core-shell structure is governed by solubility limitations in the co-precipitation route and by solubility and diffusion limitations in the coating-incorporation route.

Efficiencies of induction of DNA double strand breaks in solution by photoabsorption at phosphorus and platinum.

PubMed

Maeda, Munetoshi; Kobayashi, Katsumi; Hieda, Kotaro

2004-01-01

This paper aims at determining and comparing the cross sections and quantum yields for DNA strand break induction by the Auger effect at the K-shell of phosphorus and at the LIII-shell of platinum. Using synchrotron radiation, free and Pt-bound pBR322 plasmid DNA were irradiated in solution with monochromatic X-rays, the energies of which were 2.153 and 2.147 keV, corresponding to "on" and "below" the phosphorus K-shell photoabsorption, and 11.566 and 11.542 keV for "above" and "below" the L(III)-shell photoabsorption of platinum, respectively. To suppress indirect effects by hydroxyl radicals, DMSO (1M) was used as a scavenger. The inner-shell photoabsorption of phosphorus and of platinum significantly increased the induction of DNA double strand breaks (DSB), whereas it had little effect on single strand break (SSB) induction. The quantum yields for the induction of DSB were calculated to be 0.017 and 1.13, in the case of phosphorus and platinum, respectively. CONCLSIONS: The value of the quantum yield for the DSB induction of platinum was about 66-fold larger than that for the phosphorus. These results clearly demonstrate that the quantum yield of DSB depends upon the magnitude of the Auger cascade.

Energy-Cascaded Upconversion in an Organic Dye-Sensitized Core/Shell Fluoride Nanocrystal.

PubMed

Chen, Guanying; Damasco, Jossana; Qiu, Hailong; Shao, Wei; Ohulchanskyy, Tymish Y; Valiev, Rashid R; Wu, Xiang; Han, Gang; Wang, Yan; Yang, Chunhui; Ågren, Hans; Prasad, Paras N

2015-11-11

Lanthanide-doped upconversion nanoparticles hold promises for bioimaging, solar cells, and volumetric displays. However, their emission brightness and excitation wavelength range are limited by the weak and narrowband absorption of lanthanide ions. Here, we introduce a concept of multistep cascade energy transfer, from broadly infrared-harvesting organic dyes to sensitizer ions in the shell of an epitaxially designed core/shell inorganic nanostructure, with a sequential nonradiative energy transfer to upconverting ion pairs in the core. We show that this concept, when implemented in a core-shell architecture with suppressed surface-related luminescence quenching, yields multiphoton (three-, four-, and five-photon) upconversion quantum efficiency as high as 19% (upconversion energy conversion efficiency of 9.3%, upconversion quantum yield of 4.8%), which is about ~100 times higher than typically reported efficiency of upconversion at 800 nm in lanthanide-based nanostructures, along with a broad spectral range (over 150 nm) of infrared excitation and a large absorption cross-section of 1.47 × 10(-14) cm(2) per single nanoparticle. These features enable unprecedented three-photon upconversion (visible by naked eye as blue light) of an incoherent infrared light excitation with a power density comparable to that of solar irradiation at the Earth surface, having implications for broad applications of these organic-inorganic core/shell nanostructures with energy-cascaded upconversion.

Efficient one-pot sonochemical synthesis of thickness-controlled silica-coated superparamagnetic iron oxide (Fe3O4/SiO2) nanospheres

NASA Astrophysics Data System (ADS)

Abbas, Mohamed; Abdel-Hamed, M. O.; Chen, Jiangang

2017-12-01

A facile and eco-friendly efficient sonochemical approach was designed for the synthesis of highly crystalline Fe3O4 and Fe3O4/SiO2 core/shell nanospheres in single reaction. The generated physical properties (shock waves, microjets, and turbulent flows) from ultrasonication as a consequence of the collapse of microbubbles and polyvinylpyrrolidone (PVP) as a chemical linker were found to play a crucial role in the successful formation of the core/shell NPs within short time than the previously reported methods. Transmission electron microscopy revealed that a uniform SiO2 shell is successfully coated over Fe3O4 nanospheres, and the thickness of the silica shell could be easily controlled in the range from 5 to 15 nm by adjusting the reaction parameters. X-ray diffraction data were employed to confirm the formation of highly crystalline and pure phase of a cubic inverse spinel structure for magnetite (Fe3O4) nanospheres. The magnetic properties of the as-synthesized Fe3O4 and Fe3O4/SiO2 core/shell nanospheres were measured at room temperature using vibrating sample magnetometer, and the results demonstrated a high magnetic moment values with superparamagnetic properties.

Active formation of `chaos terrain' over shallow subsurface water on Europa

NASA Astrophysics Data System (ADS)

Schmidt, B. E.; Blankenship, D. D.; Patterson, G. W.; Schenk, P. M.

2011-11-01

Europa, the innermost icy satellite of Jupiter, has a tortured young surface and sustains a liquid water ocean below an ice shell of highly debated thickness. Quasi-circular areas of ice disruption called chaos terrains are unique to Europa, and both their formation and the ice-shell thickness depend on Europa's thermal state. No model so far has been able to explain why features such as Conamara Chaos stand above surrounding terrain and contain matrix domes. Melt-through of a thin (few-kilometre) shell is thermodynamically improbable and cannot raise the ice. The buoyancy of material rising as either plumes of warm, pure ice called diapirs or convective cells in a thick (>10 kilometres) shell is insufficient to produce the observed chaos heights, and no single plume can create matrix domes. Here we report an analysis of archival data from Europa, guided by processes observed within Earth's subglacial volcanoes and ice shelves. The data suggest that chaos terrains form above liquid water lenses perched within the ice shell as shallow as 3kilometres. Our results suggest that ice-water interactions and freeze-out give rise to the diverse morphologies and topography of chaos terrains. The sunken topography of Thera Macula indicates that Europa is actively resurfacing over a lens comparable in volume to the Great Lakes in North America.

Nitrogen Isotope Analyses in Mollusk Shell: Applications to Environmental Sciences and Archaeology.

NASA Astrophysics Data System (ADS)

Andrus, C. F. T.; Bassett, C.; Black, H. D.; Payne, T. N.

2017-12-01

Several recent studies demonstrate that nitrogen isotope analysis of the organic fraction of mollusk shells can serve as a proxy for anthropogenic environmental impacts, including sewage input into estuaries. Analysis of δ15N in shells from archaeological sites permits construction of time-series proxy data from the present day to pre-industrial times, yielding insight into the history of some human environmental influences such as waste input and land use changes. Most such studies utilize a single bulk analysis per valve, combining shell material grown over time periods of one or more years. However, large, fast-growing species (e.g. some scallops and abalone) may permit sub-annual sampling, potentially yielding insight into seasonal processes. Such sclerochronological sampling of archaeological shells may enable researchers to detect variation at a finer temporal scale than has been attempted to date, which in turn may facilitate analysis of seasonal resource procurement strategies and related actions. This presentation will incorporate new and published data from the Atlantic, Pacific and Gulf of Mexico coasts of North America to assess how sclerochronological δ15N data can be useful to better understand pre-industrial human-environmental interaction and change, and also address diagenesis and other preservational concerns commonly found in archaeological samples.

Anomalous magnetic properties of 7 nm single-crystal Co3O4 nanowires

NASA Astrophysics Data System (ADS)

Lv, Ping; Zhang, Yan; Xu, Rui; Nie, Jia-Cai; He, Lin

2012-01-01

We present a study of magnetic properties of single-crystal Co3O4 nanowires with diameter about 7 nm. The nanowires expose (111) planes composed of plenty of Co3+ cations and exhibit two order temperatures at 56 K (TN of wire cores) and 73 K (order temperature of wire shells), which are far above TN = 40 K of bulk Co3O4. This novel behavior is attributed to symmetry breaking of surface Co3+ cations and magnetic proximity effect. The nanowire shells show macroscopic residual magnetic moments. Cooling in a magnetic field, a fraction of the residual moments are tightly pinned to the antiferromagnetic lattice, which results in an obvious horizontal and vertical shift of hysteresis loop. Our experiment demonstrates that the exchange bias field HE and the pinned magnetic moments Mpin follow a simple expression HE = aMpin with a a constant.

First total-absorption spectroscopy measurement on the neutron-rich Cu isotopes

NASA Astrophysics Data System (ADS)

Naqvi, F.; Spyrou, A.; Liddick, S. N.; Larsen, A. C.; Guttormsen, M.; Bleuel, D. L.; Campo, L. C.; Couture, A.; Crider, B. P.; Dombos, A. C.; Ginter, T.; Lewis, R.; Mosby, S.; Perdikakis, G.; Prokop, C. P.; Quinn, S. J.; Renstrom, T.; Rubio, B.; Siem, S.

2015-10-01

The first beta-decay studies of 73-71Cu isotopes using the Total Absorption Spectroscopy (TAS) will be reported. The Cu isotopes have one proton outside the Z = 28 shell and hence are good candidates to probe the single-particle structure in the region.Theories predict weakening of the Z = 28 shell gap due to the tensor interaction between the valence πν single-particle orbitals. Comparing the beta-decay strength distributions in the daughter Zn isotopes to the theoretical calculations will provide a stringent test of the predictions. The experiment was performed at the National Superconducting Cyclotron Laboratory (NSCL) employing the TAS technique with the Summing NaI(Tl) detector, while beta decays were measured in the NSCL beta-counting system. The experimentally obtained total absorption spectra for the neutron-rich Cu isotopes will be presented and the implications of the extracted beta-feeding intensities will be discussed.

Neutron single-particle strengths at N = 40 , 42: Neutron knockout from Ni 68 , 70 ground and isomeric states

DOE PAGES

Recchia, F.; Weisshaar, D.; Gade, A.; ...

2016-11-28

The distribution of single-particle strength in 67,69Ni was characterized with one-neutron knockout reactions from intermediate-energy 68,70Ni secondary beams, selectively populating neutron-hole configurations at N = 39 and 41, respectively. The spectroscopic strengths deduced from the measured partial cross sections to the individual final states, as tagged by their γ-ray decays, is used to identify and quantify neutron configurations in the wave functions. While 69Ni compares well to shell-model predictions, the results for 67Ni challenge the validity of current effective shell-model Hamiltonians by revealing discrepancies that cannot be explained so far. Furthermore, these results suggest that our understanding of the low-lyingmore » states in the neutron-rich, semi-magic Ni isotopes may be incomplete and requires further investigation on both the experimental and theoretical sides.« less