Sample records for shell transformation program

  1. Theoretical investigation of gas-surface interactions

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1992-01-01

    The investigation into the appearance of intruder states from the negative continuum when some of the two-electron integrals were omitted was completed. The work shows that, provided all integrals involving core contracted functions in an atomic general contraction are included, or that the core functions are radially localized, meaningful results are obtained and intruder states do not appear. In the area of program development, the Dirac-Hartree-Fock (DHF) program for closed-shell polyatomic molecules was extended to permit Kramers-restricted open-shell DHF calculations with one electron in an open shell or one hole in a closed shell, or state-averaged DHF calculations over several particle or hole doublet states. One application of the open-shell code was to the KO molecule. Another major area of program development is the transformation of integrals from the scalar basis in which they are generated to the 2-spinor basis employed in parts of the DHF program, and hence to supermatrix form. Particularly concerning the omission of small component integrals, and with increase in availability of disk space, it is now possible to consider transforming the integrals. The use of ordered integrals, either in the scalar basis or in the 2-spinor basis, would considerably speed up the construction of the Fock matrix, and even more so if supermatrices were constructed. A considerable amount of effort was spent on analyzing the integral ordering and tranformation for the DHF program. The work of assessing the reliability of the relativistic effective core potentials (RECPs) was continued with calculation of the group IV monoxides. The perturbation of the metal atom provided by oxygen is expected to be larger than that provided by hydrogen and thus provide a better test of the qualification of the RECPs. Calculations on some platinum hydrides were carried out at nonrelativistic (NR), perturbation theory (PT) and DHF levels. Reprints of four papers describing this work are included.

  2. Shape transformation of bimetallic Au–Pd core–shell nanocubes to multilayered Au–Pd–Au core–shell hexagonal platelets

    DOE PAGES

    Bhattarai, Nabraj; Prozorov, Tanya

    2015-11-05

    Transformation of metallic or bimetallic (BM) nanoparticles (NPs) from one shape to another desired shape is of importance to nanoscience and nanotechnology, where new morphologies of NPs lead to enhancement of their exploitable properties. In this report, we present the shape transformation of Au octahedral NPs to Au–Pd core–shell nanocubes, followed by their transformation to nanostars and finally to multilayered Au–Pd–Au core–shell hexagonal platelets in the presence of T30 DNA. The weaker binding affinity of T30 DNA directs the growth to favor the formation of lower energy {111} facets, changing the morphology from nanocubes to nanostar. The nanostars, exhibiting unusualmore » intermediate morphologies, are comprised two sets of shell layers and have Au core, Pd intermediate shell, and Au outer shell. Similarly, the hexagonal platelets, which also have Au core and inner Pd shell, are encased in an external gold shell. As a result, the formation of multilayered Au–Pd–Au core–shell hexagonal platelets from Au–Pd core–shell nanocubes via the multilayered nanostars is monitored using scanning/transmission electron microscopy analysis.« less

  3. Shape transformation of bimetallic Au–Pd core–shell nanocubes to multilayered Au–Pd–Au core–shell hexagonal platelets

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

    Bhattarai, Nabraj; Prozorov, Tanya

    Transformation of metallic or bimetallic (BM) nanoparticles (NPs) from one shape to another desired shape is of importance to nanoscience and nanotechnology, where new morphologies of NPs lead to enhancement of their exploitable properties. In this report, we present the shape transformation of Au octahedral NPs to Au–Pd core–shell nanocubes, followed by their transformation to nanostars and finally to multilayered Au–Pd–Au core–shell hexagonal platelets in the presence of T30 DNA. The weaker binding affinity of T30 DNA directs the growth to favor the formation of lower energy {111} facets, changing the morphology from nanocubes to nanostar. The nanostars, exhibiting unusualmore » intermediate morphologies, are comprised two sets of shell layers and have Au core, Pd intermediate shell, and Au outer shell. Similarly, the hexagonal platelets, which also have Au core and inner Pd shell, are encased in an external gold shell. As a result, the formation of multilayered Au–Pd–Au core–shell hexagonal platelets from Au–Pd core–shell nanocubes via the multilayered nanostars is monitored using scanning/transmission electron microscopy analysis.« less

  4. Viscoelastic damped response of cross-ply laminated shallow spherical shells subjected to various impulsive loads

    NASA Astrophysics Data System (ADS)

    Şahan, Mehmet Fatih

    2017-11-01

    In this paper, the viscoelastic damped response of cross-ply laminated shallow spherical shells is investigated numerically in a transformed Laplace space. In the proposed approach, the governing differential equations of cross-ply laminated shallow spherical shell are derived using the dynamic version of the principle of virtual displacements. Following this, the Laplace transform is employed in the transient analysis of viscoelastic laminated shell problem. Also, damping can be incorporated with ease in the transformed domain. The transformed time-independent equations in spatial coordinate are solved numerically by Gauss elimination. Numerical inverse transformation of the results into the real domain are operated by the modified Durbin transform method. Verification of the presented method is carried out by comparing the results with those obtained by the Newmark method and ANSYS finite element software. Furthermore, the developed solution approach is applied to problems with several impulsive loads. The novelty of the present study lies in the fact that a combination of the Navier method and Laplace transform is employed in the analysis of cross-ply laminated shallow spherical viscoelastic shells. The numerical sample results have proved that the presented method constitutes a highly accurate and efficient solution, which can be easily applied to the laminated viscoelastic shell problems.

  5. Blood Cockle Shells Waste as Renewable Source for the Production of Biogenic CaCO3 and Its Characterisation

    NASA Astrophysics Data System (ADS)

    Asmi, D.; Zulfia, A.

    2017-11-01

    The prowess to reuse and recycle of blood cockle shells for raw material in bio-ceramics applications is an attractive component of integrated waste management program. In this paper an attempt is made to introduce a simple process to manufacture biogenic CaCO3 powder from blood cockle shells waste. The biogenic CaCO3 powder was produced from rinsing of blood cockle shells waste using deionised water and oxalic acid for cleaning the dirt and stain on the shells, then drying and grinding followed by heat treatment at 500 and 800 °C for 5 h. The powder obtained was characterised by XRF, DTA/TG, SEM, FTIR, and XRD analysis. The amount of 97.1 % CaO was obtained from XRF result. The thermal decomposition of CaCO3 become CaO due to mass loss was observed in the TG curve. The SEM result shows the needle-like aragonite morphology of blood cockle shells powder transformed to cubic-like calcite after heat treated at 500 °C. These results were consistent with FTIR and XRD results.

  6. Performance of an anisotropic Allman/DKT 3-node thin triangular flat shell element

    NASA Astrophysics Data System (ADS)

    Ertas, A.; Krafcik, J. T.; Ekwaro-Osire, S.

    1992-05-01

    A simple, explicit formulation of the stiffness matrix for an anisotropic, 3-node, thin triangular flat shell element in global coordinates is presented. An Allman triangle (AT) is used for membrane stiffness. The membrane stiffness matrix is explicitly derived by applying an Allman transformation to a Felippa 6-node linear strain triangle (LST). Bending stiffness is incorporated by the use of a discrete Kirchhoff triangle (DKT) bending element. Stiffness terms resulting from anisotropic membrane-bending coupling are included by integrating, in area coordinates, the membrane and bending strain-displacement matrices. Using the aforementioned approach, the objective of this study is to develop and test the performance of a practical 3-node flat shell element that could be used in plate problems with unsymmetrically stacked composite laminates. The performance of the latter element is tested on plates of varying aspect ratios. The developed 3-node shell element should simplify the programming task and have the potential of reducing the computational time.

  7. Selective transformations between nanoparticle superlattices via the reprogramming of DNA-mediated interactions

    DOE PAGES

    Zhang, Yugang; Pal, Suchetan; Srinivasan, Babji; ...

    2015-05-25

    The rapid development of self-assembly approaches has enabled the creation of materials with desired organization of nanoscale components. However, achieving dynamic control, wherein the system can be transformed on demand into multiple entirely different states, is typically absent in atomic and molecular systems and has remained elusive in designed nanoparticle systems. Here, we demonstrate with in situ small-angle x-ray scattering that, by using DNA strands as inputs, the structure of a three-dimensional lattice of DNA-coated nanoparticles can be switched from an initial 'mother' phase into one of multiple 'daughter' phases. The introduction of different types of re-programming DNA strands modifiesmore » the DNA shells of the nanoparticles within the superlattice, thereby shifting interparticle interactions to drive the transformation into a particular daughter phase. We mapped quantitatively with free-energy calculations the selective re-programming of interactions onto the observed daughter phases.« less

  8. A facile in situ self-assembly strategy for large-scale fabrication of CHS@MOF yolk/shell structure and its catalytic application in a flow system.

    PubMed

    Gao, Hongyi; Luan, Yi; Chaikittikul, Kullapat; Dong, Wenjun; Li, Jie; Zhang, Xiaowei; Jia, Dandan; Yang, Mu; Wang, Ge

    2015-03-04

    A hierarchical yolk/shell copper hydroxysulfates@MOF (CHS@MOF, where MOF = metal-organic frameworks) structure was fabricated from a homogeneous yolk/shell CHS template composed of an active shell and a stabilized core via a facile self-template strategy at room temperature. The active shell of the template served as the source of metal ion and was in situ transformed into a well-defined MOF crystal shell, and the relatively stabilized core retained its own nature during the formation of the MOF shell. The strategy of in situ transformation of CHS shell to MOF shell avoided the self-nucleation of MOF in the solution and complex multistep procedures. Furthermore, a flow reaction system using CHS@MOF as self-supported stationary-phase catalyst was developed, which demonstrated excellent catalytic performance for aldehyde acetalization with ethanol, and high yields and selectivities were achieved under mild conditions.

  9. Strain distribution of confined Ge/GeO2 core/shell nanoparticles engineered by growth environments

    NASA Astrophysics Data System (ADS)

    Wei, Wenyan; Yuan, Cailei; Luo, Xingfang; Yu, Ting; Wang, Gongping

    2016-02-01

    The strain distributions of Ge/GeO2 core/shell nanoparticles confined in different host matrix grown by surface oxidation are investigated. The simulated results by finite element method demonstrated that the strains of the Ge core and the GeO2 shell strongly depend on the growth environments of the nanoparticles. Moreover, it can be found that there is a transformation of the strain on Ge core from tensile to compressive strain during the growth of Ge/GeO2 core/shell nanoparticles. And, the transformation of the strain is closely related with the Young's modulus of surrounding materials of Ge/GeO2 core/shell nanoparticles.

  10. Discrimination Between Closed and Open Shell (Turkish) Pistachio Nuts Using Undecimated Wavelet Packet Transform

    USDA-ARS?s Scientific Manuscript database

    Due to low consumer acceptance and the possibility of immature kernels, closed-shell pistachio nuts should be separated from open-shell nuts before reaching the consumer. The feasibility of a system using impact acoustics as a means of classifying closed-shell nuts from open-shell nuts has already b...

  11. Facile transformation of FeO/Fe3O4 core-shell nanocubes to Fe3O4 via magnetic stimulation

    NASA Astrophysics Data System (ADS)

    Lak, Aidin; Niculaes, Dina; Anyfantis, George C.; Bertoni, Giovanni; Barthel, Markus J.; Marras, Sergio; Cassani, Marco; Nitti, Simone; Athanassiou, Athanassia; Giannini, Cinzia; Pellegrino, Teresa

    2016-09-01

    Here, we propose the use of magnetic hyperthermia as a means to trigger the oxidation of Fe1-xO/Fe3-δO4 core-shell nanocubes to Fe3-δO4 phase. As a first relevant consequence, the specific absorption rate (SAR) of the initial core-shell nanocubes doubles after exposure to 25 cycles of alternating magnetic field stimulation. The improved SAR value was attributed to a gradual transformation of the Fe1-xO core to Fe3-δO4, as evidenced by structural analysis including high resolution electron microscopy and Rietveld analysis of X-ray diffraction patterns. The magnetically oxidized nanocubes, having large and coherent Fe3-δO4 domains, reveal high saturation magnetization and behave superparamagnetically at room temperature. In comparison, the treatment of the same starting core-shell nanocubes by commonly used thermal annealing process renders a transformation to γ-Fe2O3. In contrast to other thermal annealing processes, the method here presented has the advantage of promoting the oxidation at a macroscopic temperature below 37 °C. Using this soft oxidation process, we demonstrate that biotin-functionalized core-shell nanocubes can undergo a mild self-oxidation transformation without losing their functional molecular binding activity.

  12. Systems for production of polymer encapsuated solids

    DOEpatents

    Bourcier, William L.; Aines, Roger D.; Baker, Sarah E.; Duoss, Eric B.; Maiti, Amitesh; Roberts, Jeffery J.; Spadaccini, Christopher M.; Stolaroff, Joshuah K.; Vericella, John J.; Lewis, Jennifer A.; Hardin, IV, James O.; Floyd, III, William C.

    2017-11-21

    Encapsulated solids are made by first encapsulating precursor materials in a polymer shell. The precursors are some combination of solids, liquids, gases, and/or gels. The precursors are then transformed into solids by emplacement of the capsule in an environment where gas or fluid transport into or out of the polymer shell causes transformation into solids.

  13. ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

    NASA Astrophysics Data System (ADS)

    Cipolla, Sam J.

    2011-11-01

    In this new version of ISICS, called ISICS2011, a few omissions and incorrect entries in the built-in file of electron binding energies have been corrected; operational situations leading to un-physical behavior have been identified and flagged. New version program summaryProgram title: ISICS2011 Catalogue identifier: ADDS_v5_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADDS_v5_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 6011 No. of bytes in distributed program, including test data, etc.: 130 587 Distribution format: tar.gz Programming language: C Computer: 80486 or higher-level PCs Operating system: WINDOWS XP and all earlier operating systems Classification: 16.7 Catalogue identifier of previous version: ADDS_v4_0 Journal reference of previous version: Comput. Phys. Commun. 180 (2009) 1716. Does the new version supersede the previous version?: Yes Nature of problem: Ionization and X-ray production cross section calculations for ion-atom collisions. Solution method: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Reasons for new version: General need for higher precision in output format for projectile energies; some built-in binding energies needed correcting; some anomalous results occur due to faulty read-in data or calculated parameters becoming un-physical; erroneous calculations could result for the L and M shells when restricted K-shell options are inadvertently chosen; to achieve general compatibility with ISICSoo, a companion C++ version that is portable to Linux and MacOS platforms, has been submitted for publication in the CPC Program Library approximately at the same time as this present new standalone version of ISICS [1]. Summary of revisions: The format field for projectile energies in the output has been expanded from two to four decimal places in order to distinguish between closely spaced energy values. There were a few entries in the executable binding energy file that needed correcting; K shell of Eu, M shells of Zn, M1 shell of Kr. The corrected values were also entered in the ENERGY.DAT file. In addition, an alternate data file of binding energies is included, called ENERGY_GW.DAT, which is more up-to-date [2]. Likewise, an alternate atomic parameters data file is now included, called FLOURE_JC.DAT, which is more up-to-date [3] fluorescence yields for the K and L shells and Coster-Kronig parameters for the L shell. Both data files can be read in using the -f usage option. To do this, the original energy file should be renamed and saved (e.g., ENERGY_BB.DAT) and the new file (ENERGY_GW.DAT ) should be duplicated as ENERGY.DAT to be read in using the -f option. Similarly for reading in an alternate FLOURE.DAT file. As with previous versions, the user can also simply input different values of any input quantity by invoking the "specify your own parameters" option from the main menu. You can also use this option to simply check the values of the built-in values of the parameters. If it still happens that a zero binding energy for a particular sub-shell is read in, the program will not completely abort, but will calculate results for the other sub-shells while setting the affected sub-shell output to zero. In calculating the Coulomb deflection factor, if the quantity inside the radical sign of the parameter z z=√{(1} becomes zero or negative, to prevent the program from aborting, the PWBA cross sections are still calculated while the ECPSSR cross sections are set to zero. This situation can happen for very low energy collisions, such as were noticed for helium ions on copper at energies of E⩽11.2 keV. It was observed during the engineering of ISICSoo [1] that erroneous calculations could result for the L- and M-shell cases when restricted K-shell R or HSR scaling options were inappropriately chosen. The program has now been fixed so that these inappropriate options are ignored for the L and M shells. In the previous versions, the usage for inputting a batch data file was incorrectly stated in the Users Manual as -Bxxx; the correct designation is -Fxxx, or alternatively, -Ixxx, as indicated on the usage screen in running the program. A revised Users Manual is also available. Restrictions: The consumed CPU time increases with the atomic shell (K, L, M), but execution is still very fast. Running time: This depends on which shell and the number of different energies to be used in the calculation. The running time is not significantly changed from the previous version.

  14. Quasi-local conserved charges in the Einstein-Maxwell theory

    NASA Astrophysics Data System (ADS)

    Setare, M. R.; Adami, H.

    2017-05-01

    In this paper we consider the Einstein-Maxwell theory and define a combined transformation composed of diffeomorphism and U(1) gauge transformation. For generality, we assume that the generator χ of such transformation is field-dependent. We define the extended off-shell ADT current and then off-shell ADT charge such that they are conserved off-shell for the asymptotically field-dependent symmetry generator χ. Then, we define the conserved charge corresponding to the asymptotically field-dependent symmetry generator χ. We apply the presented method to find the conserved charges of the asymptotically AdS3 spacetimes in the context of the Einstein-Maxwell theory in three dimensions. Although the usual proposal for the quasi local charges provides divergent global charges for the Einstein-Maxwell theory with negative cosmological constant in three dimensions, here we avoid this problem by introducing proposed combined transformation χ

  15. Multiple Scattering Effects in EXAFS (Extended X-Ray Absorption Fine Structure): Comparison between Theory and Experiment for Pt Metal.

    DTIC Science & Technology

    1984-05-29

    radial distribution and inverse transform of this range. The region commonly used for the inverse transform usually corresponds to the first or second...r-space and comparing it with the corresponding model function. Figure 5 shows the filtered spectra (k weighting), where the pe. 48 allowed inverse ... transform range was successively increased from the radial distance corresponding to the first shell to all the first four shells. There are no multiple

  16. ISICS2008: An expanded version of ISICS for calculating K-, L-, and M-shell cross sections from PWBA and ECPSSR theory

    NASA Astrophysics Data System (ADS)

    Cipolla, Sam J.

    2009-09-01

    New version program summaryProgram title: ISICS2008 Catalogue identifier: ADDS_v4_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADDS_v4_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5420 No. of bytes in distributed program, including test data, etc.: 107 669 Distribution format: tar.gz Programming language: C Computer: 80 486 or higher level PCs Operating system: Windows XP and all earlier operating systems Classification: 16.7 Catalogue identifier of previous version: ADDS_v3_0 Journal reference of previous version: Comput. Phys. Comm. 179 (2008) 616 Does the new version supersede the previous version?: Yes Nature of problem: Ionization and X-ray production cross section calculations for ion-atom collisions. Solution method: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Reasons for new version: Addition of relativistic treatment of both projectile and K-shell electrons. Summary of revisions: A new addition to ISICS is the option (R) to calculate ECPSSR cross sections that account for the relativistic treatment of both projectile and K-shell electron, as proposed recently by Lapicki [1], accordingly as σKRECPSSR=Cṡ(1+0.07(()ṡσ(√{(mKRυ1R)}/Z,ςθ), where υ1R is the relativistic projectile velocity. The option can also be invoked in calculating ECPSShsR, where hsR stands for the Hartree-Slater description of the K-shell electron, which was already incorporated into ISICS2006 [2,3], and is now expressed in this option as, σKRECPSShsR=CṡhsR((2υ1R)/(Zςθ),Z/137)ṡ(1+0.07(()ṡσ(υ1R/Z,ςθ) using the function hsR that is already incorporated into ISICS2006. It should be noted that these expressions are corrected versions [4] from the ones published in Ref. [1]. In this new version, ISICS2008, the option line in the main menu that read "Use Relativistic Proj. velocity" has been replaced by "R option for K-shell … Uses Rel. Proj. vel.". As before, various combinations of options can be utilized and each is denoted in the output. Restrictions: The consumed CPU time increases with the atomic shell (K,L,M), but execution is still very fast. Additional comments: A revised User Manual is included in the distribution file. Running time: This depends on which shell and the number of different energies to be used in the calculation. The running time is not significantly changed from the previous version. As before, to calculate K-shell cross sections for protons striking carbon for 19 different proton energies it took less than 10 s; to calculate M-shell cross sections for protons on gold for 21 proton energies it took 4.2 min. References:G. Lapicki, J. Phys. B: At. Mol. Op. Phys. 41 (2008) 115201. S. Cipolla, Comput. Phys. Comm. 176 (2007) 157. S. Cipolla, Nucl. Instrum. Methods Phys. Res. B 261 (2007) 142. G. Lapicki, private communication.

  17. Experimental demonstration of invisible electromagnetic impedance matching cylindrical transformation optics cloak shell

    NASA Astrophysics Data System (ADS)

    Chen, Mingji; Wang, Changxian; Cheng, Xiaodong; Gong, Congcheng; Song, Weili; Yuan, Xujin; Fang, Daining

    2018-04-01

    The realization of an ideal invisible cloak implementing transformation optics is still missing. An impedance matching concept is implanted into transformation optics cloak to generate an impedance matching cloak (IMC) shell. In this work, it is proved that impedance matching structure reduces the cloaking structure’s disturbance to a propagating electromagnetic field and improves its invisibility measured by scattering field intensity. Such a cylindrical IMC shell is designed, fabricated with proposed rounded rectangular split-ring-resonators (RR-SRRs), and experimental measurements show the total scattering field of a perfect electric conductor (PEC) cylinder surrounded by an IMC shell is improved greatly compared to the PEC cylinder showing electromagnetic wave front ripple suppression and a considerable scattering shrinking effect. IMC shell backward scattering field is suppressed down to 7.29%, compared to the previous value of 86.7% due to its impedance matching character, and overall scattering field intensity shrinking is down to 19.3% compared to the previously realized value of 56.4%. Sideward scattering field recorded in the experiment also has a remarkable improvement compared to the PEC cylinder. The impedance matching concept might enlighten the realization of an ideal cloak and other novel electromagnetic cloaking and shielding structures.

  18. Analysis of Thick Sandwich Shells with Embedded Ceramic Tiles

    NASA Technical Reports Server (NTRS)

    Davila, Carlos G.; Smith, C.; Lumban-Tobing, F.

    1996-01-01

    The Composite Armored Vehicle (CAV) is an advanced technology demonstrator of an all-composite ground combat vehicle. The CAV upper hull is made of a tough light-weight S2-glass/epoxy laminate with embedded ceramic tiles that serve as armor. The tiles are bonded to a rubber mat with a carefully selected, highly viscoelastic adhesive. The integration of armor and structure offers an efficient combination of ballistic protection and structural performance. The analysis of this anisotropic construction, with its inherent discontinuous and periodic nature, however, poses several challenges. The present paper describes a shell-based 'element-layering' technique that properly accounts for these effects and for the concentrated transverse shear flexibility in the rubber mat. One of the most important advantages of the element-layering technique over advanced higher-order elements is that it is based on conventional elements. This advantage allows the models to be portable to other structural analysis codes, a prerequisite in a program that involves the computational facilities of several manufacturers and government laboratories. The element-layering technique was implemented into an auto-layering program that automatically transforms a conventional shell model into a multi-layered model. The effects of tile layer homogenization, tile placement patterns, and tile gap size on the analysis results are described.

  19. Theory of morphological transformation of viral capsid shell during the maturation process in the HK97 bacteriophage and similar viruses

    NASA Astrophysics Data System (ADS)

    Konevtsova, O. V.; Lorman, V. L.; Rochal, S. B.

    2016-05-01

    We consider the symmetry and physical origin of collective displacement modes playing a crucial role in the morphological transformation during the maturation of the HK97 bacteriophage and similar viruses. It is shown that the experimentally observed hexamer deformation and pentamer twist in the HK97 procapsid correspond to the simplest irreducible shear strain mode of a spherical shell. We also show that the icosahedral faceting of the bacteriophage capsid shell is driven by the simplest irreducible radial displacement field. The shear field has the rotational icosahedral symmetry group I while the radial field has the full icosahedral symmetry Ih. This difference makes their actions independent. The radial field sign discriminates between the icosahedral and the dodecahedral shapes of the faceted capsid shell, thus making the approach relevant not only for the HK97-like viruses but also for the parvovirus family. In the frame of the Landau-Ginzburg formalism we propose a simple phenomenological model valid for the first reversible step of the HK97 maturation process. The calculated phase diagram illustrates the discontinuous character of the virus shape transformation. The characteristics of the virus shell faceting and expansion obtained in the in vitro and in vivo experiments are related to the decrease in the capsid shell thickness and to the increase of the internal capsid pressure.

  20. 129Xe NMR studies of morphology and accessibility in porous biochar from almond shells

    USDA-ARS?s Scientific Manuscript database

    Micro and mesoporous materials are often used in catalysis, purification, composite filler, and other applications. Almond shell is an important agricultural byproduct that can be transformed to microporous and mesoporous carbon. In this work, we produced biochar from almond shell using a thermal tr...

  1. [Effects of stabilization treatment on migration and transformation of heavy metals in mineral waste residues].

    PubMed

    Zhao, Shu-Hua; Chen, Zhi-Liang; Zhang, Tai-Ping; Pan, Wei-Bin; Peng, Xiao-Chun; Che, Rong; Ou, Ying-Juan; Lei, Guo-Jian; Zhou, Ding

    2014-04-01

    Different forms of heavy metals in soil will produce different environmental effects, and will directly influence the toxicity, migration and bioavailability of heavy metals. This study used lime, fly ash, dried sludge, peanut shells as stabilizers in the treatment of heavy metals in mineral waste residues. Morphological analyses of heavy metal, leaching experiments, potted plant experiments were carried out to analyze the migration and transformation of heavy metals. The results showed that after adding stabilizers, the pH of the acidic mineral waste residues increased to more than neutral, and the organic matter content increased significantly. The main existing forms of As, Pb, and Zn in the mineral waste residues were the residual. The contents of exchangeable and organic matter-bound As decreased by 65.6% and 87.7% respectively after adding fly ash, dried sludge and peanut shells. Adding lime, fly ash and peanut shells promoted the transformation of As from the Fe-Mn oxide-bound to the carbonate-bound, and adding lime and fly ash promoted the transformation of Pb and Zn from the exchangeable, Fe-Mn oxide-bound, organic matter-bound to the residual. After the early stage of the stabilization treatment, the contents of As, Pb and Zn in the leachate had varying degrees of decline, and adding peanut shells could reduce the contents of As, Pb and Zn in the leachate further. Among them, the content of As decreased most significantly after treatment with fly ash, dried sludge and peanut shells, with a decline of 57.4%. After treatment with lime, fly ash and peanut shells, the content of Zn decreased most significantly, by 24.9%. The addition of stabilizers was advantageous to the germination and growth of plants. The combination of fly ash, dried sludge and peanut shell produced the best effect, and the Vetiveria zizanioides germination rate reached 76% in the treated wasted mineral residues.

  2. How do bendy straws bend? A study of re-configurability of multi-stable corrugated shells

    NASA Astrophysics Data System (ADS)

    Bende, Nakul; Selden, Sarah; Evans, Arthur; Santangelo, Christian; Hayward, Ryan

    Shape programmable systems have evolved to allow for reconfiguration of structures through a variety of mechanisms including swelling, stress-relaxation, and thermal expansion. Particularly, there has been a recent interest in systems that exhibit bi-stability or multi-stability to achieve transformation between two or more pre-programmed states. Here, we study the ubiquitous architecture of corrugated shells, such as drinking straws or bellows, which has been well known for centuries. Some of these structures exhibit almost continuous stability amongst a wide range of reconfigurable shapes, but the underlying mechanisms are not well understood. To understand multi-stability in `bendy-straw' structures, we study the unit bi-conical segment using experiments and finite element modeling to elucidate the key geometrical and mechanical factors responsible for its multi-stability. The simple transformations of a unit segment - a change in length or angle can impart complex re-configurability of a structure containing many of these units. The fundamental understanding provided of this simple multi-stable building block could yield improvements in shape re-configurability for a wide array of applications such as corrugated medical tubing, robotics, and deployable structures. NSF EFRI ODISSEI-1240441.

  3. Numerical analysis of stiffened shells of revolution. Volume 2: Users' manual for STAR-02S - shell theory automated for rotational structures - 2 (statics), digital computer program

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.

    1973-01-01

    A procedure for the structural analysis of stiffened shells of revolution is presented. A digital computer program based on the Love-Reissner first order shell theory was developed. The computer program can analyze orthotropic thin shells of revolution, subjected to unsymmetric distributed loading or concentrated line loads, as well as thermal strains. The geometrical shapes of the shells which may be analyzed are described. The shell wall cross section can be a sheet, sandwich, or reinforced sheet or sandwich. General stiffness input options are also available.

  4. Bubble nucleation and migration in a lead-iron hydr(oxide) core-shell nanoparticle

    DOE PAGES

    Niu, Kaiyang; Frolov, Timofey; Xin, Huolin L.; ...

    2015-10-05

    Iron hydroxide is found in a wide range of contexts ranging from biominerals to steel corrosion, and it can transform to anhydrous oxide via releasing O 2 gas and H 2O. However, it is not well understood how gases transport through a crystal lattice. Here, we present in situ observation of the nucleation and migration of gas bubbles in iron (hydr)oxide using transmission electron microscopy. We create Pb–FeOOH model core–shell nanoparticles in a liquid cell. Under electron irradiation, iron hydroxide transforms to iron oxide, during which bubbles are generated, and they migrate through the shell to the nanoparticle surface. Geometricmore » phase analysis of the shell lattice shows an inhomogeneous stain field at the bubbles. In conclusion, our modeling suggests that the elastic interaction between the core and the bubble provides a driving force for bubble migration.« less

  5. Bubble nucleation and migration in a lead–iron hydr(oxide) core–shell nanoparticle

    PubMed Central

    Niu, Kaiyang; Frolov, Timofey; Xin, Huolin L.; Wang, Junling; Asta, Mark; Zheng, Haimei

    2015-01-01

    Iron hydroxide is found in a wide range of contexts ranging from biominerals to steel corrosion, and it can transform to anhydrous oxide via releasing O2 gas and H2O. However, it is not well understood how gases transport through a crystal lattice. Here, we present in situ observation of the nucleation and migration of gas bubbles in iron (hydr)oxide using transmission electron microscopy. We create Pb–FeOOH model core–shell nanoparticles in a liquid cell. Under electron irradiation, iron hydroxide transforms to iron oxide, during which bubbles are generated, and they migrate through the shell to the nanoparticle surface. Geometric phase analysis of the shell lattice shows an inhomogeneous stain field at the bubbles. Our modeling suggests that the elastic interaction between the core and the bubble provides a driving force for bubble migration. PMID:26438864

  6. Shell Biorefinery: Dream or Reality?

    PubMed

    Chen, Xi; Yang, Huiying; Yan, Ning

    2016-09-12

    Shell biorefinery, referring to the fractionation of crustacean shells into their major components and the transformation of each component into value-added chemicals and materials, has attracted growing attention in recent years. Since the large quantities of waste shells remain underexploited, their valorization can potentially bring both ecological and economic benefits. This Review provides an overview of the current status of shell biorefinery. It first describes the structural features of crustacean shells, including their composition and their interactions. Then, various fractionation methods for the shells are introduced. The last section is dedicated to the valorization of chitin and its derivatives for chemicals, porous carbon materials and functional polymers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. SYMPLECTIC INVARIANTS AND FLOWERS' CLASSIFICATION OF SHELL MODEL STATES

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

    Helmers, K.

    1961-01-01

    Flowers has given a classification of shell model states in j-j coupling for a fixed number of nucleons in a shell with respect to a symplectic group. The relation between these classifications for the various nucleon numbers is studied and is found to be governed by another symplectic group, the transformations of which in general change the nucleon number. (auth)

  8. Review on the preparation and modified technologies of microencapsulated red phosphorus

    NASA Astrophysics Data System (ADS)

    Cheng, Chen; Du, Shiguo; Yan, Jun

    2017-10-01

    Coated by a compact shell structure, pristine red phosphorus transforms into microcapsule red phosphorus (MCRP) with lower PH3 emission and improved compatibility with polymer matrix. Diverse kinds of microcapsule red phosphorus are classified by shell material, i.e.organic shell material MCRP, inorganic shell material MCRP and composite shell material MCRP. Furthermore, the modified technology to make up deficiencies of MCRP is also introduced in the lecture. Aiming at the existing microencapsulation craft, a more harmless and high-efficiency process should be presented, and ultrafine MCRP is also urgent to be prepared.

  9. A rule-based shell to hierarchically organize HST observations

    NASA Technical Reports Server (NTRS)

    Bose, Ashim; Gerb, Andrew

    1995-01-01

    An observing program on the Hubble Space Telescope (HST) is described in terms of exposures that are obtained by one or more of the instruments onboard the HST. These exposures are organized into a hierarchy of structures for purposes of efficient scheduling of observations. The process by which exposures get organized into the higher-level structures is called merging. This process relies on rules to determine which observations can be 'merged' into the same higher level structure, and which cannot. The TRANSformation expert system converts proposals for astronomical observations with HST into detailed observing plans. The conversion process includes the task of merging. Within TRANS, we have implemented a declarative shell to facilitate merging. This shell offers the following features: (1) an easy way of specifying rules on when to merge and when not to merge, (2) a straightforward priority mechanism for resolving conflicts among rules, (3) an explanation facility for recording the merging history, (4) a report generating mechanism to help users understand the reasons for merging, and (5) a self-documenting mechanism that documents all the merging rules that have been defined in the shell, ordered by priority. The merging shell is implemented using an object-oriented paradigm in CLOS. It has been a part of operational TRANS (after extensive testing) since July 1993. It has fulfilled all performance expectations, and has considerably simplified the process of implementing new or changed requirements for merging. The users are pleased with its report-generating and self-documenting features.

  10. The Shell Seeker: What Is the Quantity of Shell in the Lido di Venezia Sand? A Calibration DRIFTS Experiment

    ERIC Educational Resources Information Center

    Pezzolo, Alessandra De Lorenzi

    2011-01-01

    In this experiment, students are given a fanciful application of the standard addition method to evaluate the approximate quantity of the shell component in a sample of sand collected on the Lido di Venezia seashore. Several diffuse reflectance infrared Fourier transform (DRIFT) spectra are recorded from a sand sample before and after addition of…

  11. 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.

  12. Computer program analyzes Buckling Of Shells Of Revolution with various wall construction, BOSOR

    NASA Technical Reports Server (NTRS)

    Almroth, B. O.; Bushnell, D.; Sobel, L. H.

    1968-01-01

    Computer program performs stability analyses for a wide class of shells without unduly restrictive approximations. The program uses numerical integration, finite difference of finite element techniques to solve with reasonable accuracy almost any buckling problem for shells exhibiting orthotropic behavior.

  13. Activation of Persulfate by Nanosized Zero-Valent Iron (NZVI): Mechanisms and Transformation Products of NZVI.

    PubMed

    Kim, Cheolyong; Ahn, Jun-Young; Kim, Tae Yoo; Shin, Won Sik; Hwang, Inseong

    2018-03-20

    The mechanisms involved in the activation of persulfate by nanosized zero-valent iron (NZVI) were elucidated and the NZVI transformation products identified. Two distinct reaction stages, in terms of the kinetics and radical formation mechanism, were found when phenol was oxidized by the persulfate/NZVI system. In the initial stage, lasting 10 min, Fe 0 (s) was consumed rapidly and sulfate radicals were produced through activation by aqueous Fe 2+ . The second stage was governed by Fe catalyzed activation in the presence of aqueous Fe 3+ and iron (oxyhydr)oxides in the NZVI shells. The second stage was 3 orders of magnitude slower than the initial stage. An electron balance showed that the sulfate radical yield per mole of persulfate was more than two times higher in the persulfate/NZVI system than in the persulfate/Fe 2+ system. Radicals were believed to be produced more efficiently in the persulfate/NZVI system because aqueous Fe 2+ was supplied slowly, preventing sulfate radicals being scavenged by excess aqueous Fe 2+ . In the second stage, the multilayered shell conducted electrons, and magnetite in the shell provided electrons for the activation of persulfate. Iron speciation analysis (including X-ray absorption spectroscopy) results indicated that a shrinking core/growing shell model explained NZVI transformation during the persulfate/NZVI process.

  14. Synthesis of core-shell structured FAU/SBA-15 composite molecular sieves and their performance in catalytic cracking of polystyrene

    NASA Astrophysics Data System (ADS)

    Du, Jinlong; Shi, Chunwei; Wu, Wenyuan; Bian, Xue; Chen, Ping; Cui, Qingzhu; Cui, Zhixuan

    2017-12-01

    Composite molecular sieves, FAU/SBA-15, having core-shell structure were synthesized. The synthesized composite sieves were characterized by X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), pyrolysis fourier transform infrared (Py-FTIR) spectroscopy, temperature programmed desorption spectra (NH3-TPD), UV Raman spectroscopy, nuclear magnetic resonance (NMR) and other techniques. XRD, SEM, TEM, N2 adsorption-desorption, mass spectrometry, NMR and EDS results showed that the composite molecular sieve contained two pore channels. Py-FTIR results showed that the addition of HY molecular sieves improved the acidity of the composite zeolite. The crystallization mechanism during the growth of FAU/SBA-15 shell was deduced from the influence of crystallization time on the synthesis of FAU/SBA-15 core-shell structured composite molecular sieve. HY dissociated partially in H2SO4 solution, and consisted of secondary structural units. This framework structure was more stable than its presence in the isolated form on the same ring or in the absence of Al. Thus it played a guiding role and connected with SBA-15 closely through the Si-O bond. This resulted in the gradual covering of the exterior surface of FAU phase by SBA-15 molecular sieves. The presence of SBA-15 restricted the formation of the other high mass components and increased the selectivity towards ethylbenzene.

  15. Gold/silver core-shell 20 nm nanoparticles extracted from citrate solution examined by XPS

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

    Engelhard, Mark H.; Smith, Jordan N.; Baer, Donald R.

    Silver nanoparticles of many types are widely used in consumer and medical products. The surface chemistry of particles and the coatings that form during synthesis or use in many types of media can significantly impact the behaviors of particles including dissolution, transformation and biological or environmental impact. Consequently it is useful to be able to extract information about the thickness of surface coatings and other attributes of nanoparticles produced in a variety of ways. It has been demonstrated that X-ray Photoelectron Spectroscopy (XPS) can be reliably used to determine the thickness of organic and other nanoparticles coatings and shells. However,more » care is required to produce reliable and consistent information. Here we report the XPS spectra from gold/silver core-shell nanoparticles of nominal size 20 nm removed from a citrate saturated solution after one and two washing cycles. The Simulation of Electron Spectra for Surface Analysis (SESSA) program had been used to model peak amplitudes to obtain information on citrate coatings that remain after washing and demonstrate the presence of the gold core. This data is provided so that others can compare use of SESSA or other modeling approaches to quantify the nature of coatings to those already published and to explore the impacts particle non-uniformities on XPS signals from core-shell nanoparticles.« less

  16. Structural transformation and photoluminescence modification of AgInS2 nanoparticles induced by ZnS shell formation

    NASA Astrophysics Data System (ADS)

    Hamanaka, Yasushi; Yukitoki, Daichi; Kuzuya, Toshihiro

    2015-09-01

    AgInS2 nanoparticles were capped by ZnS via a widely used procedure to fabricate core/shell nanoparticles with highly efficient luminescence. The nanoparticle structures were investigated by ultrahigh-resolution analytical electron microscopy. We found that Zn-Ag-In-S nanoparticles were created by ZnS capping at ˜480 K, which suggests that the luminescence enhancement reported for such core/shell nanoparticles is not caused by the passivation of surface defects by ZnS shells but by Zn doping. Quasi-core/shell nanoparticles could be obtained by ZnS capping without heating. However, their luminescence efficiency remained unchanged, indicating that surface passivation was ineffective when ZnS shells were formed at room temperature.

  17. Modelling a single phase voltage controlled rectifier using Laplace transforms

    NASA Technical Reports Server (NTRS)

    Kraft, L. Alan; Kankam, M. David

    1992-01-01

    The development of a 20 kHz, AC power system by NASA for large space projects has spurred a need to develop models for the equipment which will be used on these single phase systems. To date, models for the AC source (i.e., inverters) have been developed. It is the intent of this paper to develop a method to model the single phase voltage controlled rectifiers which will be attached to the AC power grid as an interface for connected loads. A modified version of EPRI's HARMFLO program is used as the shell for these models. The results obtained from the model developed in this paper are quite adequate for the analysis of problems such as voltage resonance. The unique technique presented in this paper uses the Laplace transforms to determine the harmonic content of the load current of the rectifier rather than a curve fitting technique. Laplace transforms yield the coefficient of the differential equations which model the line current to the rectifier directly.

  18. Similarity-transformed dyson mapping and SDG-interacting boson hamiltonian

    NASA Astrophysics Data System (ADS)

    Navrátil, P.; Dobeš, J.

    1991-10-01

    The sdg-interacting boson hamiltonian is constructed from the fermion shell-model input. The seniority boson mapping as given by the similarity-transformed Dyson boson mapping is used. The s, d, and g collective boson amplitudes are determined consistently from the mapped hamiltonian. Influence of the starting shell-model parameters is discussed. Calculations for the Sm isotopic chain and for the 148Sm, 150Nd, and 196Pt nuclei are presented. Calculated energy levels as well as E2 and E4 properties agree rather well with experimental ones. To obtain such agreement, the input shell-model parameters cannot be fixed at a constant set for several nuclei but have to be somewhat varied, especially in the deformed region. Possible reasons for this variation are discussed. Effects of the explicit g-boson consideration are shown.

  19. Numerical analysis of stiffened shells of revolution. Volume 3: Users' manual for STARS-2B, 2V, shell theory automated for rotational structures, 2 (buckling, vibrations), digital computer programs

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.

    1973-01-01

    The User's manual for the shell theory automated for rotational structures (STARS) 2B and 2V (buckling, vibrations) is presented. Several features of the program are: (1) arbitrary branching of the shell meridians, (2) arbitrary boundary conditions, (3) minimum input requirements to describe a complex, practical shell of revolution structure, and (4) accurate analysis capability using a minimum number of degrees of freedom.

  20. DATA MANAGEMENT SYSTEM FOR MOBILE SATELLITE PROPAGATION DATA

    NASA Technical Reports Server (NTRS)

    Kantak, A. V.

    1994-01-01

    The "Data Management System for Mobile Satellite Propogation" package is a collection of FORTRAN programs and UNIX shell scripts designed to handle the huge amounts of data resulting from Mobile Satellite propogation experiments. These experiments are designed to assist in defining channels for mobile satellite systems. By understanding multipath fading characteristics of the channel, doppler effects, and blockage due to manmade objects as well as natural surroundings, characterization of the channel can be realized. Propogation experiments, then, are performed using a prototype of the system simulating the ultimate product environment. After the data from these experiments is generated, the researcher must access this data with a minimum of effort and to derive some standard results. The programs included in this package manipulate the data files generated by the NASA/JPL Mobile Satellite propogation experiment on an interactive basis. In the experiment, a transmitter operating at 869 MHz was carried to an altitude of 32Km by a stratospheric balloon. A vehicle within the line-of-sight of the transmitter was then driven around, splitting the incoming signal into I and Q channels, and sampling the resulting signal strength at 1000 samples per second. The data was collected at various antenna elavation angles and different times of day generating the ancillary data for the experiment. This package contains a program to convert the binary format of the data generated into standard ASCII format suitable for use with a wide variety of machine architectures. Also included is a UNIX shell-script designed to parse this ASCII file into those records of data that match the researcher's desired values for the ancillary data parameters. In addition, four FORTRAN programs are included to obtain standard quantities from the data. Quantities such as probability of signal level greater than or equal to a specified signal level, probability density of the signal levels, frequency of fade duration, and Fourier Transforms of the sampled data can be generated from the propogation experiment data. All programs in this package are written in either FORTRAN 77 or UNIX shell-scripts. The package does not include test data. The programs were developed in 1987 for use with a UNIX operating system on a DEC MicroVAX computer.

  1. Postsynthesis Phase Transformation for CsPbBr3/Rb4PbBr6 Core/shell Nanocrystals with Exceptional Photostability.

    PubMed

    Wang, Bo; Zhang, Congyang; Huang, Shouqiang; Li, Zhichun; Kong, Long; Jin, Ling; Wang, Junhui; Wu, Kaifeng; Li, Liang

    2018-06-15

    Lead halide perovskite nanocrystals (NCs) as promising optoelectronic materials are intensively researched. However, the instability is one of the biggest challenges needed to overcome before fulfill their practical applications. To improve their stability, we present a postsynthetic controlled phase transformation of CsPbBr3 toward CsPbBr3/Rb4PbBr6 core/shell structure triggered by rubidium oleate treatment. The resulted core/shell NCs show exceptional photostability both in solution and on-chip. The solution of CsPbBr3/Rb4PbBr6 NCs can remain over 90% of the initial emission photoluminescence quantum yields (PLQY) after 42 h of intense light-emitting diodes illumination (450 nm, 175 mW/cm2), which is even better than the conventional CdSe/CdS quantum dots whose emission drop to 50% after 18 h under the same condition. We believe that the exceptional photostability should be resulted from the protection of the robust Rb4PbBr6 shell on CsPbBr3 NCs.

  2. The construction, characterization, Hg(II)-sensing and removal behavior of magnetic core-shell nanospheres loaded with fluorescence "Off-On" probe

    NASA Astrophysics Data System (ADS)

    Tan, Jun; Wei, Xiaoyan; Chen, Jie; Sun, Ping; Ouyang, Yuxia; Fan, Juhong; Liu, Rui

    2014-12-01

    The present paper constructed and discussed core-shell structured nanospheres grafted with rhodamine based probe for Hg(II) sensing and removal. Electron microscopy images, XRD curves, thermogravimetric analysis and N2 adsorption/desorption isotherms were used to identify the core-shell structure. The inner core consisted of superparamagnetic Fe3O4 nanoparticles, which made the nanocomposite magnetically removable. The outer shell was constructed with silica molecular sieve which provided large surface area and ordered tunnels for the sensing probe, accelerating analyte adsorption and transportation. The rhodamine based sensing probe emission increased with the increasing Hg(II) concentration, showing emission "Off-On" effect, which could be explained by the structural transformation from a non-emissive one to a highly emissive one. The influence from various metal ions and pH values was also investigated, which suggested this structural transformation could only be triggered by Hg(II), showing high selectivity and linear response. The Hg(II) sensing nanocomposite could be regenerated after usage. The response time was slightly compromised and could be further improved.

  3. 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.

  4. Vibration Power Flow In A Constrained Layer Damping Cylindrical Shell

    NASA Astrophysics Data System (ADS)

    Wang, Yun; Zheng, Gangtie

    2012-07-01

    In this paper, the vibration power flow in a constrained layer damping (CLD) cylindrical shell using wave propagation approach is investigated. The dynamic equations of the shell are derived with the Hamilton principle in conjunction with the Donnell shell assumption. With these equations, the dynamic responses of the system under a line circumferential cosine harmonic exciting force is obtained by employing the Fourier transform and the residue theorem. The vibration power flows inputted to the system and transmitted along the shell axial direction are both studied. The results show that input power flow varies with driving frequency and circumferential mode order, and the constrained damping layer can obviously restrict the exciting force from inputting power flow into the base shell especially for a thicker viscoelastic layer, a thicker or stiffer constraining layer (CL), and a higher circumferential mode order, can rapidly attenuate the vibration power flow transmitted along the base shell axial direction.

  5. Planktic foraminifera form their shells by attachment of metastable carbonate particles

    NASA Astrophysics Data System (ADS)

    Wirth, R.; Jacob, D. E.; Eggins, S.

    2016-12-01

    Planktic foraminifera shells contribute up to half the inorganic carbon exported from the surface ocean to the seafloor. Their tiny calcium carbonate shells are preserved in sediments as calcite, and provide our most valuable geochemical archive of changes surface ocean conditions and climate spanning the last 100 million years. Here we show the shells of living planktic foraminifers Orbulina universa and Neogloboquadrina dutertrei consist of nano-particulate vaterite and amorphous calcium carbonate. This indicates formation via a non-classical crystallization pathway involving metastable carbonate intermediate phases before transforming to calcite, and requires a new perspective on how geochemical proxies are incorporated into planktic foraminifer shells. Our findings indicate planktic foraminifer shells could be far more susceptible to dissolution and ocean acidification than previously thought, and account for unexpected shell dissolution above the calcite saturation horizon in the ocean, which is a major uncertainty in modelling oceanic carbon fluxes.

  6. Hydrogen sorption in Pd-decorated Mg-MgO core-shell nanoparticles

    NASA Astrophysics Data System (ADS)

    Callini, E.; Pasquini, L.; Piscopiello, E.; Montone, A.; Antisari, M. Vittori; Bonetti, E.

    2009-06-01

    Mg nanoparticles with metal-oxide core-shell morphology were synthesized by inert-gas condensation and decorated by in situ Pd deposition. Transmission electron microscopy and x-ray diffraction underline the formation of a noncontinuous layer with Pd clusters on top of the MgO shell. Even in the presence of a thick MgO interlayer, a modest (2 at. %) Pd decoration deeply enhances the hydrogen sorption properties: previously inert nanoparticles exhibit metal-hydride transformation with fast kinetics and gravimetric capacity above 5 wt %.

  7. Fabrication of precision glass shells by joining glass rods

    DOEpatents

    Gac, Frank D.; Blake, Rodger D.; Day, Delbert E.; Haggerty, John S.

    1988-01-01

    A method for making uniform spherical shells. The present invention allows niform hollow spheres to be made by first making a void in a body of material. The material is heated so that the viscosity is sufficiently low so that the surface tension will transform the void into a bubble. The bubble is allowed to rise in the body until it is spherical. The excess material is removed from around the void to form a spherical shell with a uniform outside diameter.

  8. Numerical analysis of stiffened shells of revolution. Volume 4: Engineer's program manual for STARS-2S shell theory automated for rotational structures - 2 (statics) digital computer program

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.; Ogilvie, P.

    1973-01-01

    The engineering programming information for the digital computer program for analyzing shell structures is presented. The program is designed to permit small changes such as altering the geometry or a table size to fit the specific requirements. Each major subroutine is discussed and the following subjects are included: (1) subroutine description, (2) pertinent engineering symbols and the FORTRAN coded counterparts, (3) subroutine flow chart, and (4) subroutine FORTRAN listing.

  9. Synthesis of core–shell structured FAU/SBA-15 composite molecular sieves and their performance in catalytic cracking of polystyrene

    PubMed Central

    Du, Jinlong; Shi, Chunwei; Wu, Wenyuan; Bian, Xue; Chen, Ping; Cui, Qingzhu; Cui, Zhixuan

    2017-01-01

    Abstract Composite molecular sieves, FAU/SBA-15, having core-shell structure were synthesized. The synthesized composite sieves were characterized by X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), pyrolysis fourier transform infrared (Py-FTIR) spectroscopy, temperature programmed desorption spectra (NH3-TPD), UV Raman spectroscopy, nuclear magnetic resonance (NMR) and other techniques. XRD, SEM, TEM, N2 adsorption-desorption, mass spectrometry, NMR and EDS results showed that the composite molecular sieve contained two pore channels. Py-FTIR results showed that the addition of HY molecular sieves improved the acidity of the composite zeolite. The crystallization mechanism during the growth of FAU/SBA-15 shell was deduced from the influence of crystallization time on the synthesis of FAU/SBA-15 core-shell structured composite molecular sieve. HY dissociated partially in H2SO4 solution, and consisted of secondary structural units. This framework structure was more stable than its presence in the isolated form on the same ring or in the absence of Al. Thus it played a guiding role and connected with SBA-15 closely through the Si-O bond. This resulted in the gradual covering of the exterior surface of FAU phase by SBA-15 molecular sieves. The presence of SBA-15 restricted the formation of the other high mass components and increased the selectivity towards ethylbenzene. PMID:29383044

  10. 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.

  11. Recovery of Platinum from Dilute Chloride Media Using Biosorbents

    NASA Astrophysics Data System (ADS)

    Zeytuncu, B.; Morcali, M. H.; Yucel, O.

    Pistachio nut shells and Rice husk, a biomass residue, were investigated as adsorbents for the platinum uptake from synthetically prepared dilute chloroplatinic acid solutions. The effects of the different uptake parameters on platinum uptake (%) were studied in detail on a batch sorption. Before the pistachio nut shell material was activated, platinum uptake (%) was poor compared with rice husk. However, after the pistachio nut shell material was activated at 1000°C under an argon atmosphere, the platinum uptake (%) increased two-fold. The pistachio nut shell (inactivated and activated) and rice husk were characterized by Attenuated Total Reflection-Fourier transform infrared spectroscopy (ATR-FTIR).

  12. One-pot synthesis of iniferter-bound polystyrene core nanoparticles for the controlled grafting of multilayer shells

    NASA Astrophysics Data System (ADS)

    Marchyk, Nataliya; Maximilien, Jacqueline; Beyazit, Selim; Haupt, Karsten; Sum Bui, Bernadette Tse

    2014-02-01

    A novel approach using one-pot synthesis for the production of uniform, iniferter-bound polystyrene core nanoparticles of size 30-40 nm is described. Conventional oil-in-water emulsion polymerisation of styrene and divinylbenzene, combining a hybrid initiation system (thermal and UV), triggered sequentially, was employed to form the surface-bound thiocarbamate iniferters in situ. The iniferter cores were then used as seeds for re-initiating further polymerisation by UV irradiation to produce water-compatible core-shell nanoparticles. Grafting of various shell-types is demonstrated: linear polymers of poly(N-isopropylacrylamide) brushes, crosslinked polymers bearing different surface charges and molecularly imprinted polymers. The shell thickness was readily tuned by varying the monomers' concentration and polymerisation time. Our method is straightforward and in addition, gives access to the preparation of fluorescent seeds and the possibility of grafting nanosized multiple shells. The core-shell nanoparticles were fully characterised by dynamic light scattering, transmission electron microscopy, Fourier transform infrared spectroscopy and microelemental analysis.A novel approach using one-pot synthesis for the production of uniform, iniferter-bound polystyrene core nanoparticles of size 30-40 nm is described. Conventional oil-in-water emulsion polymerisation of styrene and divinylbenzene, combining a hybrid initiation system (thermal and UV), triggered sequentially, was employed to form the surface-bound thiocarbamate iniferters in situ. The iniferter cores were then used as seeds for re-initiating further polymerisation by UV irradiation to produce water-compatible core-shell nanoparticles. Grafting of various shell-types is demonstrated: linear polymers of poly(N-isopropylacrylamide) brushes, crosslinked polymers bearing different surface charges and molecularly imprinted polymers. The shell thickness was readily tuned by varying the monomers' concentration and polymerisation time. Our method is straightforward and in addition, gives access to the preparation of fluorescent seeds and the possibility of grafting nanosized multiple shells. The core-shell nanoparticles were fully characterised by dynamic light scattering, transmission electron microscopy, Fourier transform infrared spectroscopy and microelemental analysis. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr05295h

  13. Evaluation of radiation loading on finite cylindrical shells using the fast Fourier transform: A comparison with direct numerical integration.

    PubMed

    Liu, S X; Zou, M S

    2018-03-01

    The radiation loading on a vibratory finite cylindrical shell is conventionally evaluated through the direct numerical integration (DNI) method. An alternative strategy via the fast Fourier transform algorithm is put forward in this work based on the general expression of radiation impedance. To check the feasibility and efficiency of the proposed method, a comparison with DNI is presented through numerical cases. The results obtained using the present method agree well with those calculated by DNI. More importantly, the proposed calculating strategy can significantly save the time cost compared with the conventional approach of straightforward numerical integration.

  14. Laser-induced transformation of supramolecular complexes: approach to controlled formation of hybrid multi-yolk-shell Au-Ag@a-C:H nanostructures

    PubMed Central

    Manshina, A. A.; Grachova, E. V.; Povolotskiy, A. V.; Povolotckaia, A. V.; Petrov, Y. V.; Koshevoy, I. O.; Makarova, A. A.; Vyalikh, D. V.; Tunik, S. P.

    2015-01-01

    In the present work an efficient approach of the controlled formation of hybrid Au–Ag–C nanostructures based on laser-induced transformation of organometallic supramolecular cluster compound is suggested. Herein the one-step process of the laser-induced synthesis of hybrid multi-yolk-shell Au-Ag@a-C:H nanoparticles which are bimetallic gold-silver subnanoclusters dispersed in nanospheres of amorphous hydrogenated a-C:H carbon is reported in details. It has been demonstrated that variation of the experimental parameters such as type of the organometallic precursor, solvent, deposition geometry and duration of laser irradiation allows directed control of nanoparticles’ dimension and morphology. The mechanism of Au-Ag@a-C:H nanoparticles formation is suggested: the photo-excitation of the precursor molecule through metal-to-ligand charge transfer followed by rupture of metallophilic bonds, transformation of the cluster core including red-ox intramolecular reaction and aggregation of heterometallic species that results in the hybrid metal/carbon nanoparticles with multi-yolk-shell architecture formation. It has been found that the nanoparticles obtained can be efficiently used for the Surface-Enhanced Raman Spectroscopy label-free detection of human serum albumin in low concentration solution. PMID:26153347

  15. Parabolic transformation cloaks for unbounded and bounded cloaking of matter waves

    NASA Astrophysics Data System (ADS)

    Chang, Yu-Hsuan; Lin, De-Hone

    2014-01-01

    Parabolic quantum cloaks with unbounded and bounded invisible regions are presented with the method of transformation design. The mass parameters of particles for perfect cloaking are shown to be constant along the parabolic coordinate axes of the cloaking shells. The invisibility performance of the cloaks is inspected from the viewpoints of waves and probability currents. The latter shows the controllable characteristic of a probability current by a quantum cloak. It also provides us with a simpler and more efficient way of exhibiting the performance of a quantum cloak without the solutions of the transformed wave equation. Through quantitative analysis of streamline structures in the cloaking shell, one defines the efficiency of the presented quantum cloak in the situation of oblique incidence. The cloaking models presented here give us more choices for testing and applying quantum cloaking.

  16. Preparation of yolk-shell MoS2 nanospheres covered with carbon shell for excellent lithium-ion battery anodes

    NASA Astrophysics Data System (ADS)

    Guo, Bangjun; Feng, Yu; Chen, Xiaofan; Li, Bo; Yu, Ke

    2018-03-01

    Molybdenum disulfide is regarded as one of the most promising electrode materials for high performance lithium-ion batteries. Designing firm basal structure is a key point to fully utilize the high capacity of layered MoS2 nanomaterials. Here, yolk-shell structured MoS2 nanospheres is firstly designed and fabricated to meet this needs. This unique yolk-shell nanospheres are transformed from solid nanospheres by a simply weak alkaline etching method. Then, the yolk-shell MoS2/C is synthesized by a facile process to protect the outside MoS2 shell and promote the conductivity. Taking advantages of high capacity and well-defined cavity space, allowing the core MoS2 to expand freely without breaking the outer shells, yolk-shell MoS2/C nanospheres delivers long cycle life (94% of capacity retained after 200 cycles) and high rate behaviour (830 mA h g-1 at 5 A g-1). This design of yolk-shell structure may set up a new strategy for preparing next generation anode materials for LIBs.

  17. Interfacial effect on the structural and optical properties of pure SnO2 and dual shells (ZnO; SiO2) coated SnO2 core-shell nanospheres for optoelectronic applications

    NASA Astrophysics Data System (ADS)

    Selvi, N.; Sankar, S.; Dinakaran, K.

    2014-12-01

    Nanocrystallites of SnO2 core and dual shells (ZnO, SiO2) coated SnO2 core-shell nanospheres were successfully synthesized by co-precipitation method. The as prepared and annealed samples were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), High resolution transmission electron microscopy (HRTEM) and UV-Vis analysis. XRD pattern confirms the obtained SnO2 core with tetragonal rutile crystalline structure and the shell ZnO with hexagonal structure. FTIR result shows the functional groups present in the samples. The spherical morphology and the formation of the core-shell structures have been confirmed by HRTEM measurements. The UV-Vis showed that band gap is red shifted for as-prepared and the shells coated core-shell samples. From this investigation it can be concluded that the surface modification with different metal and insulating oxides strongly influences the optical properties of the core-shell materials which enhance their potential applications towards optical devices fabrication.

  18. Simulation of the stress computation in shells

    NASA Technical Reports Server (NTRS)

    Salama, M.; Utku, S.

    1978-01-01

    A self-teaching computer program is described, whereby the stresses in thin shells can be computed with good accuracy using the best fit approach. The program is designed for use in interactive game mode to allow the structural engineer to learn about (1) the major sources of difficulties and associated errors in the computation of stresses in thin shells, (2) possible ways to reduce the errors, and (3) trade-off between computational cost and accuracy. Included are derivation of the computational approach, program description, and several examples illustrating the program usage.

  19. 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.

  20. 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.

  1. Effective Simulation of Delamination in Aeronautical Structures Using Shells and Cohesive Elements

    NASA Technical Reports Server (NTRS)

    Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

    2007-01-01

    A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

  2. Cohesive Elements for Shells

    NASA Technical Reports Server (NTRS)

    Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

    2007-01-01

    A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

  3. Efficient system for wavenumber-frequency analysis of underwater structures

    NASA Astrophysics Data System (ADS)

    Boober, Walter H.; Morton, David; Gedney, Charles; Abbot, Philip

    1998-06-01

    A watertight housing was developed to a low a scanning laser vibrometer (SLV) system to work underwater. Compared to other underwater optical measurement systems, this system offers distinct advantages, including ease of adaptation to a variety of teste, no requirement to be near tank windows, and a simplified rigging system. The system was recently sued to successfully conduct a wavenumber frequency evaluation of the vibratory response of a submerged cylindrical shell. The technical issues in developing the housing and assuring the integrity of the SLV accuracy during transition to underwater use will be discussed. Also, problems encountered in maximizing return signal strength, preparation of the shell, and the process of on-sight data transfer for quick-look wavenumber-frequency analysis while data are being acquired will be presented. The cylindrical shell was excited with 100 to 5000 Hz chirp signals by a 44 N shaker that was attached axially at the center of a bulkhead. A scan consisted of 3 columns with 64 measurement points per column. The shell was rotated 11.25 degrees and the scan repeated to collect an array of 32 by 64 equally spaced points totalling 6144 measurements. The time of data acquisition was about 11 hours. This underwater housing permitted the type of measurements that are not readily available with other systems. With most other techniques the collection time would have been significantly longer. The transfer functions between the velocities measured at each scan location and the shaker force signal were computed as functions of frequency. The transfer functions computed for the center scan columns were then transformed into the wavevector domain using a 2D FFT program. Preliminary results show that the shell response is concentrated near zero circumferential wavenumber, due to the axial symmetry of the driving force. Further, the maximum shell response is also concentrated near the ring frequency of the cylinder, at an axial wavenumber of about -20 rad/m.

  4. Computer Technology for Industry

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Shell Oil Company used a COSMIC program, called VISCEL to insure the accuracy of the company's new computer code for analyzing polymers, and chemical compounds. Shell reported that there were no other programs available that could provide the necessary calculations. Shell produces chemicals for plastic products used in the manufacture of automobiles, housewares, appliances, film, textiles, electronic equipment and furniture.

  5. LSPR Tuning from 470 to 800 nm and Improved Stability of Au-Ag Nanoparticles Formed by Gold Deposition and Rebuilding in the Presence of Poly(styrenesulfonate).

    PubMed

    Cathcart, Nicole; Chen, Jennifer I L; Kitaev, Vladimir

    2018-01-16

    Stability and precise control over functional properties of metal nanoparticles remain a challenge for the realization of prospective applications. Our described process of shell formation and rebuilding can address both these challenges. Template silver nanoparticles (AgNPs) stabilized by poly(styrenesulfonate) are first transformed with gold deposition, after which the resulting shell rebuilds with the replaced silver. The shell formation and rebuilding are accompanied by large shifts in localized surface plasmon resonance (LSPR) peak position, which enables LSPR tuning in a range from 470 to 800 nm. Furthermore, chemical stability of Au-AgNPs is significantly improved compared to AgNPs due to gold stability. Silver templates of different shapes and sizes were demonstrated to transform to AuAg composite NPs to further extend the accessible LSPR range tuning. Stabilization of template AgNPs with poly(styrenesulfonate), in contrast to commonly used poly(vinylpyrrolidone), was found to be a key factor for shell rebuilding. The developed Au-AgNPs were shown to be advantageous for surface plasmon resonance (SPR) detection and surface-enhanced Raman spectroscopy (SERS) owing to their tunable LSPR and enhanced stability.

  6. Synergetic Effect of Yolk-Shell Structure and Uniform Mixing of SnS-MoS₂ Nanocrystals for Improved Na-Ion Storage Capabilities.

    PubMed

    Choi, Seung Ho; Kang, Yun Chan

    2015-11-11

    Mixed metal sulfide composite microspheres with a yolk-shell structure for sodium-ion batteries are studied. Tin-molybdenum oxide yolk-shell microspheres prepared by a one-pot spray pyrolysis process transform into yolk-shell SnS-MoS2 composite microspheres. The discharge capacities of the yolk-shell and dense-structured SnS-MoS2 composite microspheres for the 100th cycle are 396 and 207 mA h g(-1), and their capacity retentions measured from the second cycle are 89 and 47%, respectively. The yolk-shell SnS-MoS2 composite microspheres with high structural stability during repeated sodium insertion and desertion processes have low charge-transfer resistance even after long-term cycling. The synergetic effect of the yolk-shell structure and uniform mixing of the SnS and MoS2 nanocrystals result in the excellent sodium-ion storage properties of the yolk-shell SnS-MoS2 composite microspheres by improving their structural stability during cycling.

  7. Deep anistropic shell program for tire analysis

    NASA Technical Reports Server (NTRS)

    Andersen, C. M.

    1981-01-01

    A finite element program was constructed to model the mechanical response of a tire, treated as a deep anisotropic shell, to specified static loads. The program is based on a Sanders Budiansky type shell theory with the effects of transverse shear deformation and bending-extensional coupling included. A displacement formulation is used together with a total Lagrangian description of the deformation. Sixteen-node quadrilateral elements with bicubic shape functions are employed. The Noor basis reduction technique and various type of symmetry considerations serve to improve the computational efficiency.

  8. In situ X-ray nanotomography of metal surfaces during electropolishing

    DOE PAGES

    Nave, Maryana I.; Allen, Jason P.; Karen Chen-Wiegart, Yu-chen; ...

    2015-10-15

    A low voltage electropolishing of metal wires is attractive for nanotechnology because it provides centimeter long and micrometer thick probes with the tip radius of tens of nanometers. Using X-ray nanotomography we studied morphological transformations of the surface of tungsten wires in a specially designed electrochemical cell where the wire is vertically submersed into the KOH electrolyte. We show that stability and uniformity of the probe span is supported by a porous shell growing at the surface of tungsten oxide and shielding the wire surface from flowing electrolyte. We discovered that the kinetics of shell growth at the triple line,more » where meniscus meets the wire, is very different from that of the bulk of electrolyte. Many metals follow similar electrochemical transformations hence the discovered morphological transformations of metal surfaces are expected to play significant role in many natural and technological applications.« less

  9. In situ X-ray nanotomography of metal surfaces during electropolishing

    PubMed Central

    Nave, Maryana I.; Allen, Jason P.; Karen Chen-Wiegart, Yu-chen; Wang, Jun; Kalidindi, Surya R.; Kornev, Konstantin G.

    2015-01-01

    A low voltage electropolishing of metal wires is attractive for nanotechnology because it provides centimeter long and micrometer thick probes with the tip radius of tens of nanometers. Using X-ray nanotomography we studied morphological transformations of the surface of tungsten wires in a specially designed electrochemical cell where the wire is vertically submersed into the KOH electrolyte. It is shown that stability and uniformity of the probe span is supported by a porous shell growing at the surface of tungsten oxide and shielding the wire surface from flowing electrolyte. It is discovered that the kinetics of shell growth at the triple line, where meniscus meets the wire, is very different from that of the bulk of electrolyte. Many metals follow similar electrochemical transformations hence the discovered morphological transformations of metal surfaces are expected to play significant role in many natural and technological applications. PMID:26469184

  10. Transformation of multiwall carbon nanotubes to onions with layers cross-linked by sp3 bonds under high pressure and shear deformation

    NASA Astrophysics Data System (ADS)

    Pankov, A. M.; Bredikhina, A. S.; Kulnitskiy, B. A.; Perezhogin, I. A.; Skryleva, E. A.; Parkhomenko, Yu. N.; Popov, M. Yu.; Blank, V. D.

    2017-08-01

    A pressure-induced phase transition of multiwall carbon nanotubes (MWNT) to a new structure at room temperature is studied using a shear diamond anvil cell, X-ray photoelectron spectra (XPS), transmission electron microscope (TEM) and Raman procedures. We observe a cardinal pressure-induced change in the nanoparticles shape from multi-shell tubes to multi-shell spheres. MWNT transforms to onions with layers cross-linked by sp3 bonds under the 45-65 GPa compressive stress combined with shear deformation at room temperature. TEM and XPS results show that about 40% of the carbon atoms in the new phase are sp3-bounded.

  11. Similarity-transformed chiral NN + 3N interactions for the ab initio description of 12C and 16O.

    PubMed

    Roth, Robert; Langhammer, Joachim; Calci, Angelo; Binder, Sven; Navrátil, Petr

    2011-08-12

    We present first ab initio no-core shell model (NCSM) calculations using similarity renormalization group (SRG) transformed chiral two-nucleon (NN) plus three-nucleon (3N) interactions for nuclei throughout the p-shell, particularly (12)C and (16)O. By introducing an adaptive importance truncation for the NCSM model space and an efficient JT-coupling scheme for the 3N matrix elements, we are able to surpass previous NCSM studies including 3N interactions. We present ground and excited states in (12)C and (16)O for model spaces up to N(max) = 12 including full 3N interactions. We analyze the contributions of induced and initial 3N interactions and probe induced 4N terms through the sensitivity of the energies on the SRG flow parameter. Unlike for light p-shell nuclei, SRG-induced 4N contributions originating from the long-range two-pion terms of the chiral 3N interaction are sizable in (12)C and (16)O.

  12. Investigation on the effects of temperature dependency of material parameters on a thermoelastic loading problem

    NASA Astrophysics Data System (ADS)

    Kumar, Anil; Mukhopadhyay, Santwana

    2017-08-01

    The present work is concerned with the investigation of thermoelastic interactions inside a spherical shell with temperature-dependent material parameters. We employ the heat conduction model with a single delay term. The problem is studied by considering three different kinds of time-dependent temperature and stress distributions applied at the inner and outer surfaces of the shell. The problem is formulated by considering that the thermal properties vary as linear function of temperature that yield nonlinear governing equations. The problem is solved by applying Kirchhoff transformation along with integral transform technique. The numerical results of the field variables are shown in the different graphs to study the influence of temperature-dependent thermal parameters in various cases. It has been shown that the temperature-dependent effect is more prominent in case of stress distribution as compared to other fields and also the effect is significant in case of thermal shock applied at the two boundary surfaces of the spherical shell.

  13. Time-resolved inner-shell photoelectron spectroscopy: From a bound molecule to an isolated atom

    NASA Astrophysics Data System (ADS)

    Brauße, Felix; Goldsztejn, Gildas; Amini, Kasra; Boll, Rebecca; Bari, Sadia; Bomme, Cédric; Brouard, Mark; Burt, Michael; de Miranda, Barbara Cunha; Düsterer, Stefan; Erk, Benjamin; Géléoc, Marie; Geneaux, Romain; Gentleman, Alexander S.; Guillemin, Renaud; Ismail, Iyas; Johnsson, Per; Journel, Loïc; Kierspel, Thomas; Köckert, Hansjochen; Küpper, Jochen; Lablanquie, Pascal; Lahl, Jan; Lee, Jason W. L.; Mackenzie, Stuart R.; Maclot, Sylvain; Manschwetus, Bastian; Mereshchenko, Andrey S.; Mullins, Terence; Olshin, Pavel K.; Palaudoux, Jérôme; Patchkovskii, Serguei; Penent, Francis; Piancastelli, Maria Novella; Rompotis, Dimitrios; Ruchon, Thierry; Rudenko, Artem; Savelyev, Evgeny; Schirmel, Nora; Techert, Simone; Travnikova, Oksana; Trippel, Sebastian; Underwood, Jonathan G.; Vallance, Claire; Wiese, Joss; Simon, Marc; Holland, David M. P.; Marchenko, Tatiana; Rouzée, Arnaud; Rolles, Daniel

    2018-04-01

    Due to its element and site specificity, inner-shell photoelectron spectroscopy is a widely used technique to probe the chemical structure of matter. Here, we show that time-resolved inner-shell photoelectron spectroscopy can be employed to observe ultrafast chemical reactions and the electronic response to the nuclear motion with high sensitivity. The ultraviolet dissociation of iodomethane (CH3I ) is investigated by ionization above the iodine 4 d edge, using time-resolved inner-shell photoelectron and photoion spectroscopy. The dynamics observed in the photoelectron spectra appear earlier and are faster than those seen in the iodine fragments. The experimental results are interpreted using crystal-field and spin-orbit configuration interaction calculations, and demonstrate that time-resolved inner-shell photoelectron spectroscopy is a powerful tool to directly track ultrafast structural and electronic transformations in gas-phase molecules.

  14. Formation of an Anti-Core–Shell Structure in Layered Oxide Cathodes for Li-Ion Batteries

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

    Zhang, Hanlei; Omenya, Fredrick; Whittingham, M. Stanley

    The layered → rock-salt phase transformation in the layered dioxide cathodes for Li-ion batteries is believed to result in a “core-shell” structure of the primary particles, in which the core region maintains as the layered phase while the surface region undergoes the phase transformation to the rock-salt phase. Using transmission electron microscopy, here we demonstrate the formation of an “anti-core-shell” structure in cycled primary particles with a formula of LiNi0.80Co0.15Al0.05O2, in which the surface and subsurface regions remain as the layered structure while the rock-salt phase forms as domains in the bulk with a thin layer of the spinel phasemore » between the rock-salt core and the skin of the layered phase. Formation of this anti-core-shell structure is attributed to the oxygen loss at the surface that drives the migration of oxygen from the bulk to the surface, thereby resulting in localized areas of significantly reduced oxygen levels in the bulk of the particle, which subsequently undergoes the phase transformation to the rock-salt domains. The formation of the anti-core-shell rock-salt domains is responsible for the reduced capacity, discharge voltage and ionic conductivity in cycled cathode.« less

  15. User document for computer programs for ring-stiffened shells of revolution

    NASA Technical Reports Server (NTRS)

    Cohen, G. A.

    1973-01-01

    A user manual and related program documentation is presented for six compatible computer programs for structural analysis of axisymmetric shell structures. The programs apply to a common structural model but analyze different modes of structural response. In particular, they are: (1) Linear static response under asymmetric loads; (2) Buckling of linear states under asymmetric loads; (3) Nonlinear static response under axisymmetric loads; (4) Buckling nonlinear states under axisymmetric (5) Imperfection sensitivity of buckling modes under axisymmetric loads; and (6) Vibrations about nonlinear states under axisymmetric loads. These programs treat branched shells of revolution with an arbitrary arrangement of a large number of open branches but with at most one closed branch.

  16. 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.

  17. Camellia oleifera shell as an alternative feedstock for furfural production using a high surface acidity solid acid catalyst.

    PubMed

    Zhang, Luxin; He, Yunfei; Zhu, Yujie; Liu, Yuting; Wang, Xiaochang

    2018-02-01

    This paper focuses on the high-value transformation of camellia oleifera shell, which is an agricultural waste enriched in hemicellulose. An efficient catalytic route employing sulfonated swelling mesoporous polydivinylbenzene (PDVB-SO 3 H) as catalyst in monophasic or biphasic solvents was developed for the conversion of raw camellia oleifera shell into furfural. The reaction parameters were evaluated and optimized for improving the furfural yield. It was found that the solvent greatly influenced the hydrolysis of camellia oleifera shells, and the highest furfural yield of 61.3% was obtained in "γ-butyrolactone + water" system when the feedstock-to-catalyst ratio was 2 for 30 min at 443 K. Camellia oleifera shell exhibited a high potential as feedstock to produce furfural in high yields. The outcome of this study provides an attractive utilization option to camellia oleifera shell, which is currently burned or discarded for producing a bio-based chemical. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. 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.

  19. Shells. Modified Primary. Revised. Anchorage School District Elementary Science Program.

    ERIC Educational Resources Information Center

    Defendorf, Jean, Ed.

    This publication provides information and activities for teaching about seashells and process skills including observing, classifying, collecting and interpreting data, inferring, measuring, and predicting. There are 10 lessons. Lessons 1 through 5 deal with an introduction to shells, why animals have shells, observing and classifying shells, the…

  20. Enzymatic production of N-acetyl-d-glucosamine from crayfish shell wastes pretreated via high pressure homogenization.

    PubMed

    Wei, Guoguang; Zhang, Alei; Chen, Kequan; Ouyang, Pingkai

    2017-09-01

    This study presents an efficient pretreatment of crayfish shell using high pressure homogenization that enables N-acetyl-d-glucosamine (GlcNAc) production by chitinase. Firstly, the chitinase from Serratia proteamaculans NJ303 was screened for its ability to degrade crayfish shell and produce GlcNAc as the sole product. Secondly, high pressure homogenization, which caused the crayfish shell to adopt a fluffy netted structure that was characterized by Scanning electron microscope (SEM), Fourier transform infrared spectrometer (FT-IR), X-ray diffraction (XRD), was evaluated as the best pretreatment method. In addition, the optimal conditions of high pressure homogenization of crayfish shell were determined to be five cycles at a pressure of 400bar, which achieved a yield of 3.9g/L of GlcNAc from 25g/L of crayfish shell in a batch enzymatic reaction over 1.5h. The results showed high pressure homogenization might be an efficient method for direct utilization of crayfish shell for enzymatic production of GlcNAc. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. 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.

  2. Software For Design And Analysis Of Tanks And Cylindrical Shells

    NASA Technical Reports Server (NTRS)

    Luz, Paul L.; Graham, Jerry B.

    1995-01-01

    Skin-stringer Tank Analysis Spreadsheet System (STASS) computer program developed for use as preliminary design software tool that enables quick-turnaround design and analysis of structural domes and cylindrical barrel sections in propellant tanks or other cylindrical shells. Determines minimum required skin thicknesses for domes and cylindrical shells to withstand material failure due to applied pressures (ullage and/or hydrostatic) and runs buckling analyses on cylindrical shells and skin-stringers. Implemented as workbook program, using Microsoft Excel v4.0 on Macintosh II. Also implemented using Microsoft Excel v4.0 for Microsoft Windows v3.1 IBM PC.

  3. Shell Thickness Dependence of Interparticle Energy Transfer in Core-Shell ZnSe/ZnSe Quantum Dots Doping with Europium

    NASA Astrophysics Data System (ADS)

    Liu, Ni; Li, Shuxin; Wang, Caifeng; Li, Jie

    2018-04-01

    Low-toxic core-shell ZnSe:Eu/ZnS quantum dots (QDs) were prepared through two steps in water solution: nucleation doping and epitaxial shell grown. The structural and morphological characteristics of ZnSe/ZnS:Eu QDs with different shell thickness were explored by transmission electron microscopy (TEM) and X-ray diffraction (XRD) results. The characteristic photoluminescence (PL) intensity of Eu ions was enhanced whereas that of band-edge luminescence and defect-related luminescence of ZnSe QDs was decreased with increasing shell thickness. The transformation of PL intensity revealed an efficient energy transfer process between ZnSe and Eu. The PL intensity ratio of Eu ions ( I 613) to ZnSe QDs ( I B ) under different shell thickness was systemically analyzed by PL spectra and time-resolved PL spectra. The obtained results were in agreement with the theory analysis results by the kinetic theory of energy transfer, revealing that energy was transmitted in the form of dipole-electric dipole interaction. This particular method of adjusting luminous via changing the shell thickness can provide valuable insights towards the fundamental understanding and application of QDs in the field of optoelectronics.

  4. Numerical analysis of stiffened shells of revolution. Volume 1: Theory manual for STARS-2S, 2B, 2V digital computer programs

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.

    1973-01-01

    The theoretical analysis background for the STARS-2 (shell theory automated for rotational structures) program is presented. The theory involved in the axisymmetric nonlinear and unsymmetric linear static analyses, and the stability and vibrations (including critical rotation speed) analyses involving axisymmetric prestress are discussed. The theory for nonlinear static, stability, and vibrations analyses, involving shells with unsymmetric loadings are included.

  5. Amorphous calcium carbonate: A precursor phase for aragonite in shell disease of the pearl oyster.

    PubMed

    Huang, Jingliang; Liu, Chuang; Xie, Liping; Zhang, Rongqing

    2018-02-26

    Amorphous calcium carbonate (ACC) has long been shown to act as an important constituent or precursor phase for crystalline material in mollusks. However, the presence and the role of ACC in bivalve shell formation are not fully studied. In this study, we found that brown deposits containing heterogeneous calcium carbonates were precipitated when a shell disease occurred in the pearl oyster Pinctada fucata. Calcein-staining of the brown deposits indicated that numerous amorphous calcium deposits were present, which was further confirmed by Fourier-transform infrared spectroscopy (FTIR), Raman spectrum and X-ray difraction (XRD) analyses. So we speculate that ACC plays an important role in rapid calcium carbonate precipitation during shell repair process in diseased oysters. Copyright © 2018 Elsevier Inc. All rights reserved.

  6. FASOR - A second generation shell of revolution code

    NASA Technical Reports Server (NTRS)

    Cohen, G. A.

    1978-01-01

    An integrated computer program entitled Field Analysis of Shells of Revolution (FASOR) currently under development for NASA is described. When completed, this code will treat prebuckling, buckling, initial postbuckling and vibrations under axisymmetric static loads as well as linear response and bifurcation under asymmetric static loads. Although these modes of response are treated by existing programs, FASOR extends the class of problems treated to include general anisotropy and transverse shear deformations of stiffened laminated shells. At the same time, a primary goal is to develop a program which is free of the usual problems of modeling, numerical convergence and ill-conditioning, laborious problem setup, limitations on problem size and interpretation of output. The field method is briefly described, the shell differential equations are cast in a suitable form for solution by this method and essential aspects of the input format are presented. Numerical results are given for both unstiffened and stiffened anisotropic cylindrical shells and compared with previously published analytical solutions.

  7. Shell Games.

    ERIC Educational Resources Information Center

    Atkinson, Bill

    1982-01-01

    The author critiques the program design and educational aspects of the Shell Games, a program developed by Apple Computer, Inc., which can be used by the teacher to design objective tests for adaptation to specific assessment needs. (For related articles, see EC 142 959-962.) (Author)

  8. Data on Molluscan Shells in parts of Nellore Coast, southeast coast of India.

    PubMed

    Lakshmanna, B; Jayaraju, N; Prasad, T Lakshmi; Sreenivasulu, G; Nagalakshmi, K; Kumar, M Pramod; Madakka, M

    2018-02-01

    X-ray diffraction (XRD), Scanning Electron Microscope-Energy Dispersive Spectroscopy (SEM-EDS), and Fourier Transform Infrared Spectroscopy (FT-IR), were applied to analyze the organic matrix of two Molluscan shells . The Mollusca shells are mineral structure and calcium carbonate crystallized as aragonite. The FT-IR spectra showed Alkyl Halide, Alkanes, Alcohols, Amides, Aromatic, and Hydroxyl groups in the organic matrix of the whole (organic and mineral) Molluscan shells. SEM images of particles of the two Molluscan shells at different magnifications were taken. The morphologies of the samples show a flake like structures with irregular grains, their sizes are at micrometric scale and the chemical analysis of EDS indicated that the major elements of Cardita and Gastropoda were C, O, and Ca, consistent with the results of XRD analysis. The results of the analysis of the EDS spectra of the shells showed that the content of most of the powder composition of shells is the element carbon, calcium oxygen, aluminium, and lead peaks that appear on the Cardita and Gastropoda and shells powders tap EDS spectra. The present work examined organic matrix of the selected shells of the heavily polluted and light polluted sites, along Nellore Coast, South East Coast of India. The heavily polluted sites have significantly thickened shells. The data demonstrated the sensitivity of this abundant and widely distributed intertidal fragile environment.

  9. Transforming Department of Defense’s Core Business Processes for Revolutionary Change

    DTIC Science & Technology

    2015-01-01

    including suggestions for reducing this burden, to Washington Headquarters Services, Directorate for Information Operations and Reports, 1215 Jefferson...Development Director , Chief of Staff for Shell Oil Company, and head of strategy for Royal Dutch Shell. Ms. Decyk has also held senior positions with...the boards of several companies in both the U.S. and the U.K., and currently is a non- executive director of Petrofac Ltd., Ensco Plc, DigitalGlobe

  10. Application of thin-plate spline transformations to finite element models, or, how to turn a bog turtle into a spotted turtle to analyze both.

    PubMed

    Stayton, C Tristan

    2009-05-01

    Finite element (FE) models are popular tools that allow biologists to analyze the biomechanical behavior of complex anatomical structures. However, the expense and time required to create models from specimens has prevented comparative studies from involving large numbers of species. A new method is presented for transforming existing FE models using geometric morphometric methods. Homologous landmark coordinates are digitized on the FE model and on a target specimen into which the FE model is being transformed. These coordinates are used to create a thin-plate spline function and coefficients, which are then applied to every node in the FE model. This function smoothly interpolates the location of points between landmarks, transforming the geometry of the original model to match the target. This new FE model is then used as input in FE analyses. This procedure is demonstrated with turtle shells: a Glyptemys muhlenbergii model is transformed into Clemmys guttata and Actinemys marmorata models. Models are loaded and the resulting stresses are compared. The validity of the models is tested by crushing actual turtle shells in a materials testing machine and comparing those results to predictions from FE models. General guidelines, cautions, and possibilities for this procedure are also presented.

  11. UNIX-BASED DATA MANAGEMENT SYSTEM FOR PROPAGATION EXPERIMENTS

    NASA Technical Reports Server (NTRS)

    Kantak, A. V.

    1994-01-01

    This collection of programs comprises The UNIX Based Data Management System for the Pilot Field Experiment (PiFEx) which is an attempt to mimic the Mobile Satellite (MSAT) scenario. The major purposes of PiFEx are to define the mobile communications channels and test the workability of new concepts used to design various components of the receiver system. The results of the PiFex experiment are large amounts of raw data which must be accessed according to a researcher's needs. This package provides a system to manage the PiFEx data in an interactive way. The system not only provides the file handling necessary to retrieve the desired data, but also several FORTRAN programs to generate some standard results pertaining to propagation data. This package assumes that the data file initially generated from the experiment has been already converted from binary to ASCII format. The Data Management system described here consists of programs divided into two categories: those programs that handle the PiFEx generated files and those that are used for number-crunching of these files. Five FORTRAN programs and one UNIX shell script file are used for file manipulation purposes. These activities include: calibration of the acquired data; and parsing of the large data file into datasets concerned with different aspects of the experiment such as the specific calibrated propagation data, dynamic and static loop error data, statistical data, and temperature and spatial data on the hardware used in the experiment. The five remaining FORTRAN programs are used to generate usable information about the data. Signal level probability, probability density of the signal fitting the Rician density function, frequency of the data's fade duration, and the Fourier transform of the data can all be generated from these data manipulation programs. In addition, a program is provided which generates a downloadable file from the signal levels and signal phases files for use with the plotting routine AKPLOT (NPO-16931). All programs in this package are written in either FORTRAN-77 or UNIX shell-scripts. The package does not include test data. The programs were developed in 1987 for use with a UNIX operating system on a DEC MicroVAX computer.

  12. Beam-induced graphitic carbon cage transformation from sumanene aggregates

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

    Fujita, Jun-ichi, E-mail: fujita@bk.tsukuba.ac.jp; Tachi, Masashi; Murakami, Katsuhisa

    2014-01-27

    We found that electron-beam irradiation of sumanene aggregates strongly enhanced their transformation into a graphitic carbon cage, having a diameter of about 20 nm. The threshold electron dose was about 32 mC/cm{sup 2} at 200 keV, but the transformation is still induced at 20 keV. The transformation sequence suggested that the cage was constructed accompanied by the dynamical movement of the transiently linked sumanene molecules in order to pile up inside the shell. Thus, bond excitation in the sumanene molecules rather than a knock-on of carbon atoms seems to be the main cause of the cage transformation.

  13. Changing the way we change.

    PubMed

    Pascale, R; Millemann, M; Gioja, L

    1997-01-01

    More and more companies struggle with growing competition by introducing improvements into every aspect of performance. But the treadmill keeps moving faster, the companies keep working harder, and results improve slowly or not at all. The problem here is not the improvement programs. The problem is that the whole burden of change typically rests on so few people. Companies achieve real agility only when every function and process--when every person--is able and eager to rise to every challenge. This type and degree of fundamental change, commonly called revitalization or transformation, is what many companies seek but rarely achieve because they have never before identified the factors that produce sustained transformational change. The authors identify three interventions that will restore companies to vital agility and then keep them in good health: incorporating employees fully into the principal business challenges facing the company, leading the organization in a different way in order to sharpen and maintain incorporation and constructive stress, and instilling mental disciplines that will make people behave differently and then help them sustain their new behavior. The authors discovered these basic sources of revitalization by tracking the change efforts of Sears, Roebuck & Company, Royal Dutch Shell, and the United States Army. The organizations used these interventions to alter the way their people experienced their own power and identity, as well as the way they dealt with conflict and learning. As at Sears, Shell, and the U.S. Army, any major shift in those four elements will create a landmark shift in any organization's operating state or culture.

  14. 75 FR 80037 - Poultry Programs; Notice of Request for an Extension and Revision of a Currently Approved...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-21

    ... approved information collection in support of the Regulations Governing the Voluntary Grading of Shell Eggs... Governing the Voluntary Grading of Shell Eggs--7 CFR part 56. OMB Number: 0581-0128. Expiration Date, as... shell eggs on the basis of U.S. standards, grades and weight classes. In addition, the shell egg...

  15. Ultraviolet divergences in non-renormalizable supersymmetric theories

    NASA Astrophysics Data System (ADS)

    Smilga, A.

    2017-03-01

    We present a pedagogical review of our current understanding of the ultraviolet structure of N = (1,1) 6D supersymmetric Yang-Mills theory and of N = 8 4 D supergravity. These theories are not renormalizable, they involve power ultraviolet divergences and, in all probability, an infinite set of higherdimensional counterterms that contribute to on-mass-shell scattering amplitudes. A specific feature of supersymmetric theories (especially, of extended supersymmetric theories) is that these counterterms may not be invariant off shell under the full set of supersymmetry transformations. The lowest-dimensional nontrivial counterterm is supersymmetric on shell. Still higher counterterms may lose even the on-shell invariance. On the other hand, the full effective Lagrangian, generating the amplitudes and representing an infinite sum of counterterms, still enjoys the complete symmetry of original theory. We also discuss simple supersymmetric quantum-mechanical models that exhibit the same behaviour.

  16. Architecture of crossed-lamellar bivalve shells: the southern giant clam (Tridacna derasa, Röding, 1798).

    PubMed

    Agbaje, O B A; Wirth, R; Morales, L F G; Shirai, K; Kosnik, M; Watanabe, T; Jacob, D E

    2017-09-01

    Tridacna derasa shells show a crossed lamellar microstructure consisting of three hierarchical lamellar structural orders. The mineral part is intimately intergrown with 0.9 wt% organics, namely polysaccharides, glycosylated and unglycosylated proteins and lipids, identified by Fourier transform infrared spectrometry. Transmission electron microscopy shows nanometre-sized grains with irregular grain boundaries and abundant voids. Twinning is observed across all spatial scales and results in a spread of the crystal orientation angles. Electron backscatter diffraction analysis shows a strong fibre texture with the [001] axes of aragonite aligned radially to the shell surface. The aragonitic [100] and [010] axes are oriented randomly around [001]. The random orientation of anisotropic crystallographic directions in this plane reduces anisotropy of the Young's modulus and adds to the optimization of mechanical properties of bivalve shells.

  17. Mass and angular momentum of black holes in low-energy heterotic string theory

    NASA Astrophysics Data System (ADS)

    Peng, Jun-Jin

    2016-04-01

    We investigate conserved charges in the low-energy effective field theory describing heterotic string theory. Starting with a general Lagrangian that consists of a metric, a scalar field, a vector gauge field, together with a two-form potential, we derive off-shell Noether potentials of the Lagrangian and generalize the Abbott-Deser-Tekin (ADT) formalism to the off-shell level by establishing one-to-one correspondence between the ADT potential and the off-shell Noether potential. It is proved that the off-shell generalized ADT formalism is conformally invariant. Then, we apply the formulation to compute mass and angular momentum of the four-dimensional Kerr-Sen black hole and the five-dimensional rotating charged black string in the string frame without a necessity to transform the metrics into the Einstein frame.

  18. Parameterized Finite Element Modeling and Buckling Analysis of Six Typical Composite Grid Cylindrical Shells

    NASA Astrophysics Data System (ADS)

    Lai, Changliang; Wang, Junbiao; Liu, Chuang

    2014-10-01

    Six typical composite grid cylindrical shells are constructed by superimposing three basic types of ribs. Then buckling behavior and structural efficiency of these shells are analyzed under axial compression, pure bending, torsion and transverse bending by finite element (FE) models. The FE models are created by a parametrical FE modeling approach that defines FE models with original natural twisted geometry and orients cross-sections of beam elements exactly. And the approach is parameterized and coded by Patran Command Language (PCL). The demonstrations of FE modeling indicate the program enables efficient generation of FE models and facilitates parametric studies and design of grid shells. Using the program, the effects of helical angles on the buckling behavior of six typical grid cylindrical shells are determined. The results of these studies indicate that the triangle grid and rotated triangle grid cylindrical shell are more efficient than others under axial compression and pure bending, whereas under torsion and transverse bending, the hexagon grid cylindrical shell is most efficient. Additionally, buckling mode shapes are compared and provide an understanding of composite grid cylindrical shells that is useful in preliminary design of such structures.

  19. Production of Chitosan from Amusium sp Scallop Shell Waste

    NASA Astrophysics Data System (ADS)

    Rokhati, Nur; Istirokhatun, Titik; Titik Apriyanti, Dwi; Susanto, Heru

    2017-02-01

    Chitosan is one of the natural polysaccharides, which is produced from chitin by deacetylation process. In this study, chitosan was produced from Amusium sp scallop shell waste. First, chitin was isolated by extraction via deproteinization using alkaline solution followed by demineralization using acid solution. Thereafter, chitosan was resulted from deacetylation of chitin using a high concentration of alkaline solution. The chemical structure of chitin and chitosan products was characterized using fourier transform infrared spectroscopy (FTIR).

  20. A computer program for the geometrically nonlinear static and dynamic analysis of arbitrarily loaded shells of revolution, theory and users manual

    NASA Technical Reports Server (NTRS)

    Ball, R. E.

    1972-01-01

    A digital computer program known as SATANS (static and transient analysis, nonlinear, shells) for the geometrically nonlinear static and dynamic response of arbitrarily loaded shells of revolution is presented. Instructions for the preparation of the input data cards and other information necessary for the operation of the program are described in detail and two sample problems are included. The governing partial differential equations are based upon Sanders' nonlinear thin shell theory for the conditions of small strains and moderately small rotations. The governing equations are reduced to uncoupled sets of four linear, second order, partial differential equations in the meridional and time coordinates by expanding the dependent variables in a Fourier sine or cosine series in the circumferential coordinate and treating the nonlinear modal coupling terms as pseudo loads. The derivatives with respect to the meridional coordinate are approximated by central finite differences, and the displacement accelerations are approximated by the implicit Houbolt backward difference scheme with a constant time interval. The boundaries of the shell may be closed, free, fixed, or elastically restrained. The program is coded in the FORTRAN 4 language and is dimensioned to allow a maximum of 10 arbitrary Fourier harmonics and a maximum product of the total number of meridional stations and the total number of Fourier harmonics of 200. The program requires 155,000 bytes of core storage.

  1. Core-shell biopolymer nanoparticle delivery systems: synthesis and characterization of curcumin fortified zein-pectin nanoparticles.

    PubMed

    Hu, Kun; Huang, Xiaoxia; Gao, Yongqing; Huang, Xulin; Xiao, Hang; McClements, David Julian

    2015-09-01

    Biopolymer core-shell nanoparticles were fabricated using a hydrophobic protein (zein) as the core and a hydrophilic polysaccharide (pectin) as the shell. Particles were prepared by coating cationic zein nanoparticles with anionic pectin molecules using electrostatic deposition (pH 4). The core-shell nanoparticles were fortified with curcumin (a hydrophobic bioactive molecule) at a high loading efficiency (>86%). The resulting nanoparticles were spherical, relatively small (diameter ≈ 250 nm), and had a narrow size distribution (polydispersity index ≈ 0.24). The encapsulated curcumin was in an amorphous (rather than crystalline form) as detected by differential scanning calorimetry (DSC). Fourier transform infrared (FTIR) and Raman spectra indicated that the encapsulated curcumin interacted with zein mainly through hydrophobic interactions. The nanoparticles were converted into a powdered form that had good water-dispersibility. These core-shell biopolymer nanoparticles could be useful for incorporating curcumin into functional foods and beverages, as well as dietary supplements and pharmaceutical products. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. From Quasicrystals to Crystals with Interpenetrating Icosahedra in Ca–Au–Al: In Situ Variable-Temperature Transformation

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

    Pham, Joyce; Meng, Fanqiang; Lynn, Matthew J.

    The irreversible transformation from an icosahedral quasicrystal (i-QC) CaAu 4.39Al 1.61 to its cubic 2/1 crystalline approximant (CA) Ca 13Au 56.31(3)Al 21.69 (CaAu 4.33(1)Al1.67, Pamore » $$\\bar{3}$$ (No. 205); Pearson symbol: cP728; a = 23.8934(4)), starting at ~570 °C and complete by ~650 °C, is discovered from in situ, high-energy, variable-temperature powder X-ray diffraction (PXRD), thereby providing direct experimental evidence for the relationship between QCs and their associated CAs. The new cubic phase crystallizes in a Tsai-type approximant structure under the broader classification of polar intermetallic compounds, in which atoms of different electronegativities, viz., electronegative Au + Al vs electropositive Ca, are arranged in concentric shells. From a structural chemical perspective, the outermost shell of this cubic approximant may be described as interpenetrating and edge-sharing icosahedra, a perspective that is obtained by splitting the traditional structural description of this shell as a 92-atom rhombic triacontahedron into an 80-vertex cage of primarily Au [Au 59.86(2)Al 17.14⟂ 3.00] and an icosahedral shell of only Al [Al 10.5⟂ 1.5]. Following the proposal that the cubic 2/1 CA approximates the structure of the i-QC and on the basis of the observed transformation, an atomic site analysis of the 2/1 CA, which shows a preference to maximize the number of heteroatomic Au–Al nearest neighbor contacts over homoatomic Al–Al contacts, implies a similar outcome for the i-QC structure. Analysis of the most intense reflections in the diffraction pattern of the cubic 2/1 CA that changed during the phase transformation shows correlations with icosahedral symmetry, and the stability of this cubic phase is assessed using valence electron counts. Finally, according to electronic structure calculations, a cubic 1/1 CA, “Ca 24Au 88Al 64” (CaAu 3.67Al 2.67) is proposed.« less

  3. From Quasicrystals to Crystals with Interpenetrating Icosahedra in Ca–Au–Al: In Situ Variable-Temperature Transformation

    DOE PAGES

    Pham, Joyce; Meng, Fanqiang; Lynn, Matthew J.; ...

    2017-12-29

    The irreversible transformation from an icosahedral quasicrystal (i-QC) CaAu 4.39Al 1.61 to its cubic 2/1 crystalline approximant (CA) Ca 13Au 56.31(3)Al 21.69 (CaAu 4.33(1)Al1.67, Pamore » $$\\bar{3}$$ (No. 205); Pearson symbol: cP728; a = 23.8934(4)), starting at ~570 °C and complete by ~650 °C, is discovered from in situ, high-energy, variable-temperature powder X-ray diffraction (PXRD), thereby providing direct experimental evidence for the relationship between QCs and their associated CAs. The new cubic phase crystallizes in a Tsai-type approximant structure under the broader classification of polar intermetallic compounds, in which atoms of different electronegativities, viz., electronegative Au + Al vs electropositive Ca, are arranged in concentric shells. From a structural chemical perspective, the outermost shell of this cubic approximant may be described as interpenetrating and edge-sharing icosahedra, a perspective that is obtained by splitting the traditional structural description of this shell as a 92-atom rhombic triacontahedron into an 80-vertex cage of primarily Au [Au 59.86(2)Al 17.14⟂ 3.00] and an icosahedral shell of only Al [Al 10.5⟂ 1.5]. Following the proposal that the cubic 2/1 CA approximates the structure of the i-QC and on the basis of the observed transformation, an atomic site analysis of the 2/1 CA, which shows a preference to maximize the number of heteroatomic Au–Al nearest neighbor contacts over homoatomic Al–Al contacts, implies a similar outcome for the i-QC structure. Analysis of the most intense reflections in the diffraction pattern of the cubic 2/1 CA that changed during the phase transformation shows correlations with icosahedral symmetry, and the stability of this cubic phase is assessed using valence electron counts. Finally, according to electronic structure calculations, a cubic 1/1 CA, “Ca 24Au 88Al 64” (CaAu 3.67Al 2.67) is proposed.« less

  4. Development and application of General Purpose Data Acquisition Shell (GPDAS) at advanced photon source

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

    Chung, Youngjoo; Kim, Keeman.

    1991-01-01

    An operating system shell GPDAS (General Purpose Data Acquisition Shell) on MS-DOS-based microcomputers has been developed to provide flexibility in data acquisition and device control for magnet measurements at the Advanced Photon Source. GPDAS is both a command interpreter and an integrated script-based programming environment. It also incorporates the MS-DOS shell to make use of the existing utility programs for file manipulation and data analysis. Features include: alias definition, virtual memory, windows, graphics, data and procedure backup, background operation, script programming language, and script level debugging. Data acquisition system devices can be controlled through IEEE488 board, multifunction I/O board, digitalmore » I/O board and Gespac crate via Euro G-64 bus. GPDAS is now being used for diagnostics R D and accelerator physics studies as well as for magnet measurements. Their hardware configurations will also be discussed. 3 refs., 3 figs.« less

  5. The Beta Pictoris Phenomenon in A-Shell Stars: Detection of Accreting Gas

    NASA Technical Reports Server (NTRS)

    Grady, C. A.; Perez, Mario R.; Talavera, A.; McCollum, B.; Rawley, L. A.; England, M. N.; Schlegel, M.

    1996-01-01

    We present the results of an expanded survey of A-shell stars using IUE high-dispersion spectra and find accreting, circumstellar gas in the line of sight to nine stars, in addition to the previously identified beta Pic, HR 10, and 131 Tau, which can be followed to between +70 and 100 km/s relative to the star. Two of the program stars, HD 88195 and HD 148283, show variable high-velocity gas. Given the small number of IUE spectra for our program stars, detection of high-velocity, accreting gas in 2/3 of the A-shell stars sampled indicates that accretion is an intrinsic part of the A-shell phenomenon and that beta Pic is not unique among main-sequence A stars in exhibiting such activity. Our program stars, as a group, have smaller column densities of high-velocity gas and smaller near-IR excesses compared with beta Pic. These features are consistent with greater central clearing of a remnant debris disk, compared with beta Pic, and suggest that the majority of field A-shell stars are older than beta Pic.

  6. Martensitic transformations in Ag-Au bimetallic core-shell nanoalloys

    NASA Astrophysics Data System (ADS)

    Chen, Fuyi; Johnston, Roy L.

    2008-01-01

    Combining the Gupta potential and bond order analysis in a molecular dynamics simulation, a martensitic transformation is observed in the 147-atom AucoreAgshell nanostructure at 328K. The response time for this transformation is about 7ps at 350K. In pure gold clusters, it was previously thought that a similar solid-to-solid transformation is a prelude to melting transitions. In the present case, atomic pathway snapshots show that the heating energy is used to overcome the energy barrier for initiating the spontaneous process. The subsequent twist-deformation propagation and termination are clearly observed.

  7. Addition of higher order plate and shell elements into NASTRAN computer program

    NASA Technical Reports Server (NTRS)

    Narayanaswami, R.; Goglia, G. L.

    1976-01-01

    Two higher order plate elements, the linear strain triangular membrane element and the quintic bending element, along with a shallow shell element, suitable for inclusion into the NASTRAN (NASA Structural Analysis) program are described. Additions to the NASTRAN Theoretical Manual, Users' Manual, Programmers' Manual and the NASTRAN Demonstration Problem Manual, for inclusion of these elements into the NASTRAN program are also presented.

  8. Structural and electronic properties of CdS/ZnS core/shell nanowires: A first-principles study

    NASA Astrophysics Data System (ADS)

    Kim, Hyo Seok; Kim, Yong-Hoon

    2015-03-01

    Carrying out density functional theory (DFT) calculation, we studied the relative effects of quantum confinement and strain on the electronic structures of II-IV semiconductor compounds with a large lattice-mismatch, CdS and ZnS, in the core/shell nanowire geometry. We considered different core radii and shell thickness of the CdS/ZnS core/shell nanowire, different surface facets, and various defects in the core/shell interface and surface regions. To properly describe the band level alignment at the core/shell boundary, we adopted the self-interaction correction (SIC)-DFT scheme. Implications of our findings in the context of device applications will be also discussed. This work was supported by the Basic Science Research Grant (No. 2012R1A1A2044793), Global Frontier Program (No. 2013-073298), and Nano-Material Technology Development Program (2012M3A7B4049888) of the National Research Foundation funded by the Ministry of Education, Science and Technology of Korea. Corresponding author

  9. An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energies.

    PubMed

    Baker, Jon; Wolinski, Krzysztof

    2011-11-30

    We present details of our efficient implementation of full accuracy unrestricted open-shell second-order canonical Møller-Plesset (MP2) energies, both serial and parallel. The algorithm is based on our previous restricted closed-shell MP2 code using the Saebo-Almlöf direct integral transformation. Depending on system details, UMP2 energies take from less than 1.5 to about 3.0 times as long as a closed-shell RMP2 energy on a similar system using the same algorithm. Several examples are given including timings for some large stable radicals with 90+ atoms and over 3600 basis functions. Copyright © 2011 Wiley Periodicals, Inc.

  10. Structural Color Tuning: Mixing Melanin-Like Particles with Different Diameters to Create Neutral Colors.

    PubMed

    Kawamura, Ayaka; Kohri, Michinari; Yoshioka, Shinya; Taniguchi, Tatsuo; Kishikawa, Keiki

    2017-04-18

    We present the ability to tune structural colors by mixing colloidal particles. To produce high-visibility structural colors, melanin-like core-shell particles composed of a polystyrene (PSt) core and a polydopamine (PDA) shell, were used as components. The results indicated that neutral structural colors could be successfully obtained by simply mixing two differently sized melanin-like PSt@PDA core-shell particles. In addition, the arrangements of the particles, which were important factors when forming structural colors, were investigated by mathematical processing using a 2D Fourier transform technique and Voronoi diagrams. These findings provide new insights for the development of structural color-based ink applications.

  11. Core-shell silk hydrogels with spatially tuned conformations as drug-delivery system.

    PubMed

    Yan, Le-Ping; Oliveira, Joaquim M; Oliveira, Ana L; Reis, Rui L

    2017-11-01

    Hydrogels of spatially controlled physicochemical properties are appealing platforms for tissue engineering and drug delivery. In this study, core-shell silk fibroin (SF) hydrogels of spatially controlled conformation were developed. The core-shell structure in the hydrogels was formed by means of soaking the preformed (enzymatically crosslinked) random coil SF hydrogels in methanol. When increasing the methanol treatment time from 1 to 10 min, the thickness of the shell layer can be tuned from about 200 to about 850 μm as measured in wet status. After lyophilization of the rehydrated core-shell hydrogels, the shell layer displayed compact morphology and the core layer presented porous structure, when observed by scanning electron microscopy. The conformation of the hydrogels was evaluated by Fourier transform infrared spectroscopy in wet status. The results revealed that the shell layer possessed dominant β-sheet conformation and the core layer maintained mainly random coil conformation. Enzymatic degradation data showed that the shell layers presented superior stability to the core layer. The mechanical analysis displayed that the compressive modulus of the core-shell hydrogels ranged from about 25 kPa to about 1.1 MPa by increasing the immersion time in methanol. When incorporated with albumin, the core-shell SF hydrogels demonstrated slower and more controllable release profiles compared with the non-treated hydrogel. These core-shell SF hydrogels of highly tuned properties are useful systems as drug-delivery system and may be applied as cartilage substitute. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  12. Chemical composition of ground pearl (Eurhizococcus colombianus) cysts.

    PubMed

    Quiñones, Winston; Vicente, Bernardo; Torres, Fernando; Archbold, Rosendo; Murillo, Walter; Londoño, Martha; Echeverri, Fernando

    2008-01-29

    Ground pearl (Eurhizococcus colombianus) is a crop pest in Colombia, with special impact on fig, grass, rubus and tomato plants. The insect is resistant to external insecticide application because it produces a thick waxy shell that isolates it from the environment. The composition of this shell was determined by NMR and MS as a triglyceride, whose fatty acid is transformed into other products with the metamorphosis of the insect. Additionally, several enzymatic inhibitors were assayed to control the insect with negative results.

  13. Cell-in-Shell Hybrids: Chemical Nanoencapsulation of Individual Cells.

    PubMed

    Park, Ji Hun; Hong, Daewha; Lee, Juno; Choi, Insung S

    2016-05-17

    Nature has developed a fascinating strategy of cryptobiosis ("secret life") for counteracting the stressful, and often lethal, environmental conditions that fluctuate sporadically over time. For example, certain bacteria sporulate to transform from a metabolically active, vegetative state to an ametabolic endospore state. The bacterial endospores, encased within tough biomolecular shells, withstand the extremes of harmful stressors, such as radiation, desiccation, and malnutrition, for extended periods of time and return to a vegetative state by breaking their protective shells apart when their environment becomes hospitable for living. Certain ciliates and even higher organisms, for example, tardigrades, and others are also found to adopt a cryptobiotic strategy for survival. A common feature of cryptobiosis is the structural presence of tough sheaths on cellular structures. However, most cells and cellular assemblies are not "spore-forming" and are vulnerable to the outside threats. In particular, mammalian cells, enclosed with labile lipid bilayers, are highly susceptible to in vitro conditions in the laboratory and daily life settings, making manipulation and preservation difficult outside of specialized conditions. The instability of living cells has been a main bottleneck to the advanced development of cell-based applications, such as cell therapy and cell-based sensors. A judicious question arises: can cellular tolerance against harmful stresses be enhanced by simply forming cell-in-shell hybrid structures? Experimental results suggest that the answer is yes. A micrometer-sized "Iron Man" can be generated by chemically forming an ultrathin (<100 nm) but durable shell on a "non-spore-forming" cell. Since the report on silica nanoencapsulation of yeast cells, in which cytoprotective yeast-in-silica hybrids were formed, several synthetic strategies have been developed to encapsulate individual cells in a cytocompatible fashion, mimicking the cryptobiotic cell-in-shell structures found in nature, for example, bacterial endospores. Bioinspired silicification and phenolics-based coatings are, so far, the main approaches to the formation of cytoprotective cell-in-shell hybrids, because they ensure cell viability during encapsulations and also generate durable nanoshells on cell surfaces. The resulting cell-in-shell hybrids extrinsically possess enhanced resistance to external aggressors, and more intriguingly, the encapsulation alters their metabolic activity, exemplified by retarded or suppressed cell cycle progression. In addition, recent developments in the field have further advanced the synthetic tools available to the stage of chemical sporulation and germination of mammalian cells, where cytoprotective shells are formed on labile mammalian cells and broken apart on demand. For example, individual HeLa cells are coated with a metal-organic complex of ferric ion and tannic acid, and cellular adherence and proliferation are controlled by the programmed shell formation and degradation. Based on these demonstrations, the (degradable) cell-in-shell hybrids are anticipated to find their applications in various biomedical and bionanotechnological areas, such as cytotherapeutics, high-throughput screening, sensors, and biocatalysis, as well as providing a versatile research platform for single-cell biology.

  14. Core-Shell Structure of Intermediate Precipitates in a Nb-Based Z-Phase Strengthened 12% Cr Steel.

    PubMed

    Rashidi, Masoud; Andrén, Hans-Olof; Liu, Fang

    2017-04-01

    In creep resistant Z-phase strengthened 12% Cr steels, MX (M=Nb, Ta, or V, and X=C and/or N) to Z-phase (CrMN, M=Ta, Nb, or V) transformation plays an important role in achieving a fine distribution of Z-phase precipitates for creep strengthening. Atom probe tomography was employed to investigate the phase transformation in a Nb-based Z-phase strengthened trial steel. Using iso-concentration surfaces with different concentration values, and subtracting the matrix contribution enabled us to reveal the core-shell structure of the transient precipitates between MX and Z-phase. It was shown that Z-phase forms by diffusion of Cr into NbN upon ageing, and Z-phase has a composition corresponding to Cr1+x Nb1-x N with x=0.08.

  15. Tulane/Xavier Vaccine Peptide Program

    DTIC Science & Technology

    2013-07-01

    include a dry powder formulation, microemulsions , nonspherical liposomes, ceramic shell vesicles, and nanometer-sized silk particles. Nasal...pulmonary delivery: dry powder formulation, microemulsions , nonspherical liposomes, ceramic shell vesicles, and nanometer-sized silk particles. (3) Confirm...include a dry powder formulation, microemulsions , nonspherical liposomes, ceramic shell vesicles, and nanometer-sized silk particles. Nasal

  16. 76 FR 4093 - Takes of Marine Mammals Incidental to Specified Activities; Taking Marine Mammals Incidental to...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-01-24

    ... Drilling Programs in the Chukchi and Beaufort Seas, AK AGENCY: National Marine Fisheries Service (NMFS... harassment, by Shell Offshore Inc. (Shell) incidental to offshore exploration drilling on Outer Continental... drilling programs in 2010. ADDRESSES: The applications related to this action are available by writing to...

  17. Accurate image-charge method by the use of the residue theorem for core-shell dielectric sphere

    NASA Astrophysics Data System (ADS)

    Fu, Jing; Xu, Zhenli

    2018-02-01

    An accurate image-charge method (ICM) is developed for ionic interactions outside a core-shell structured dielectric sphere. Core-shell particles have wide applications for which the theoretical investigation requires efficient methods for the Green's function used to calculate pairwise interactions of ions. The ICM is based on an inverse Mellin transform from the coefficients of spherical harmonic series of the Green's function such that the polarization charge due to dielectric boundaries is represented by a series of image point charges and an image line charge. The residue theorem is used to accurately calculate the density of the line charge. Numerical results show that the ICM is promising in fast evaluation of the Green's function, and thus it is useful for theoretical investigations of core-shell particles. This routine can also be applicable for solving other problems with spherical dielectric interfaces such as multilayered media and Debye-Hückel equations.

  18. 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.

  19. Characterization of calcium phosphate powders originating from Phyllacanthus imperialis and Trochidae Infundibulum concavus marine shells.

    PubMed

    Tămăşan, M; Ozyegin, L S; Oktar, F N; Simon, V

    2013-07-01

    The study reports the preparation and characterization of powders consisting of the different phases of calcium phosphates that were obtained from the naturally derived raw materials of sea-shell origins reacted with H3PO4. Species of sea origin, such as corals and nacres, attracted a special interest in bone tissue engineering area. Nacre shells are built up of calcium carbonate in aragonite form crystallized in an organic matrix. In this work two natural marine origin materials (shells of echinoderm Sputnik sea urchin - Phyllacanthus imperialis and Trochidae Infundibulum concavus mollusk) were involved in the developing powders of calcium phosphate based biomaterials (as raw materials for bone-scaffolds) by hotplate and ultrasound methods. Thermal analyses of the as-prepared materials were made for an assessment of the thermal behavior and heat treatment temperatures. Samples from both sea shells each of them prepared by the above mentioned methods were subjected to thermal treatments at 450 °C and 850 °C in order to evaluate the crystalline transformations of the calcium phosphate structures in the heating process. By X-ray diffraction analyses various calcium phosphate phases were identified. In Sputnik sea urchins originated samples were found predominantly brushite and calcite as a small secondary phase, while in Trochidae I. concavus samples mainly monetite and HA phases were identified. Thermal treatment at 850 °C resulted flat-plate whitlockite crystals - β-MgTCP [(Ca, Mg)3 (PO4)2] for both samples regardless the preparation method (ultrasound or hotplate) or the targeted Ca/P molar ratio according with XRD patterns. Scanning electron microscopy and Fourier transformed infrared spectroscopy were involved more in the characterization of these materials and the good correlations of the results of these methods were made. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Reference manual for the Thermal Analyst's Help Desk Expert System

    NASA Technical Reports Server (NTRS)

    Ormsby, Rachel A.

    1994-01-01

    This document provides technical information and programming guidance for the maintenance and future development of the Thermal Analyst's Help Desk. Help Desk is an expert system that operates within the EXSYSTM expert system shell, and is used to determine first approximations of thermal capacity for spacecraft and instruments. The five analyses supported in Help Desk are: (1) surface area required for a radiating surface, (2) equilibrium temperature of a surface, (3) enclosure temperature and heat loads for a defined position in orbit, (4) enclosure temperature and heat loads over a complete orbit and, (5) selection of appropriate surface properties. The two geometries supported by Help Desk are a single flat plate and a rectangular box enclosure. The technical information includes the mathematical approach and analytical derivations used in the analyses such as: radiation heat balance, view factor calculation, and orbit determination with coordinate transformation. The programming guide for developers describes techniques for enhancement of Help Desk. Examples are provided showing the addition of new features, user interface development and enhancement, and external program interfaces.

  1. Some novel features in 2D non-Abelian theory: BRST approach

    NASA Astrophysics Data System (ADS)

    Srinivas, N.; Kumar, S.; Kureel, B. K.; Malik, R. P.

    2017-08-01

    Within the framework of Becchi-Rouet-Stora-Tyutin (BRST) formalism, we discuss some novel features of a two (1+1)-dimensional (2D) non-Abelian 1-form gauge theory (without any interaction with matter fields). Besides the usual off-shell nilpotent and absolutely anticommutating (anti-)BRST symmetry transformations, we discuss the off-shell nilpotent and absolutely anticommutating (anti-)co-BRST symmetry transformations. Particularly, we lay emphasis on the existence of the coupled (but equivalent) Lagrangian densities of the 2D non-Abelian theory in view of the presence of (anti-)co-BRST symmetry transformations where we pin-point some novel features associated with the Curci-Ferrari (CF-)type restrictions. We demonstrate that these CF-type restrictions can be incorporated into the (anti-)co-BRST invariant Lagrangian densities through the fermionic Lagrange multipliers which carry specific ghost numbers. The modified versions of the Lagrangian densities (where we get rid of the new CF-type restrictions) respect some precise symmetries as well as a couple of symmetries with CF-type constraints. These observations are completely novel as far as the BRST formalism, with proper (anti-)co-BRST symmetries, is concerned.

  2. Robust and Stable Cu Nanowire@Graphene Core-Shell Aerogels for Ultraeffective Electromagnetic Interference Shielding.

    PubMed

    Wu, Shiting; Zou, Mingchu; Li, Zhencheng; Chen, Daqin; Zhang, Hui; Yuan, Yongjun; Pei, Yongmao; Cao, Anyuan

    2018-06-01

    Cu nanowires (CuNWs) are considered as a promising candidate to develop high performance metal aerogels, yet the construction of robust and stable 3D porous structures remains challenging which severely limits their practical applications. Here, graphene-hybridized CuNW (CuNW@G) core-shell aerogels are fabricated by introducing a conformal polymeric coating and in situ transforming it into multilayered graphene seamlessly wrapped around individual CuNWs through a mild thermal annealing process. The existence of the outer graphene shell reinforces the 3D bulk structure and significantly slows down the oxidation process of CuNWs, resulting in improved mechanical property and highly stable electrical conductivity. When applied in electromagnetic interference shielding, the CuNW@G core-shell aerogels exhibit an average effectiveness of ≈52.5 dB over a wide range (from 8.2 to 18 GHz) with negligible degradation under ambient conditions for 40 d. Mechanism analysis reveals that the graphene shell with functional groups enables dual reflections on the core-shell and a multiple dielectric relaxation process, leading to enhanced dielectric loss and energy dissipation within the core-shell aerogels. The flexible core-shell-structured CuNW@G aerogels, with superior mechanical robustness and electrical stability, have potential applications in many areas such as advanced energy devices and functional composites. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Anisotropic deformation of metallo-dielectric core shell colloids under MeV ion irradiation

    NASA Astrophysics Data System (ADS)

    Penninkhof, J. J.; van Dillen, T.; Roorda, S.; Graf, C.; van Blaaderen, A.; Vredenberg, A. M.; Polman, A.

    2006-01-01

    We have studied the deformation of metallo-dielectric core-shell colloids under 4 MeV Xe, 6 and 16 MeV Au, 30 MeV Si and 30 MeV Cu ion irradiation. Colloids of silica surrounded by a gold shell, with a typical diameter of 400 nm, show anisotropic plastic deformation under MeV ion irradiation, with the metal flowing conform the anisotropically deforming silica core. The 20 nm thick metal shell imposes a mechanical constraint on the deforming silica core, reducing the net deformation strain rate compared to that of pure silica. In colloids consisting of a Au core and a silica shell, the silica expands perpendicular to the ion beam, while the metal core shows a large elongation along the ion beam direction, provided the silica shell is thick enough (>40 nm). A minimum electronic energy loss of 3.3 keV/nm is required for shape transformation of the metal core. Silver cores embedded in a silica shell show no elongation, but rather disintegrate. Also in planar SiO2 films, Au and Ag colloids show entirely different behavior under MeV irradiation. We conclude that the deformation model of core-shell colloids must include ion-induced particle disintegration in combination with thermodynamical effects, possibly in combination with mechanical effects driven by stresses around the ion tracks.

  4. Design of multi-shell Fe2O3@MnOx@CNTs for the selective catalytic reduction of NO with NH3: improvement of catalytic activity and SO2 tolerance

    NASA Astrophysics Data System (ADS)

    Cai, Sixiang; Hu, Hang; Li, Hongrui; Shi, Liyi; Zhang, Dengsong

    2016-02-01

    Manganese based catalysts are highly active in the NH3-SCR reaction for NOx removal. Unfortunately, manganese oxides can be easily deactivated by sulfur dioxide in the flow gas, which has become the main obstacle for their practical applications. To address this problem, we presented a green and facile method for the synthesis of multi-shell Fe2O3@MnOx@CNTs. The morphology and structural properties of the catalysts were systematically investigated. The results revealed that the MnOx@CNT core-shell structure was formed during the chemical bath deposition, while the outermost MnOx species were transformed to Fe2O3 after the galvanic replacement reaction. The formation of the multi-shell structure induced the enhancement of the active oxygen species, reducible species as well as adsorption of the reactants, which brought about excellent de-NOx performance. Moreover, the Fe2O3 shell could effectively suppress the formation of the surface sulfate species, leading to the desirable SO2 resistance to the multi-shell catalyst. Hence, the synthesis protocol could provide guidance for the preparation and elevation of manganese based catalysts.Manganese based catalysts are highly active in the NH3-SCR reaction for NOx removal. Unfortunately, manganese oxides can be easily deactivated by sulfur dioxide in the flow gas, which has become the main obstacle for their practical applications. To address this problem, we presented a green and facile method for the synthesis of multi-shell Fe2O3@MnOx@CNTs. The morphology and structural properties of the catalysts were systematically investigated. The results revealed that the MnOx@CNT core-shell structure was formed during the chemical bath deposition, while the outermost MnOx species were transformed to Fe2O3 after the galvanic replacement reaction. The formation of the multi-shell structure induced the enhancement of the active oxygen species, reducible species as well as adsorption of the reactants, which brought about excellent de-NOx performance. Moreover, the Fe2O3 shell could effectively suppress the formation of the surface sulfate species, leading to the desirable SO2 resistance to the multi-shell catalyst. Hence, the synthesis protocol could provide guidance for the preparation and elevation of manganese based catalysts. Electronic supplementary information (ESI) available: Experimental details and catalytic performance of the Fe-Mn@CNTs IM, TEM images of Fe@Mn CNTs, stability and H2O resistance studies of the catalysts. See DOI: 10.1039/c5nr08701e

  5. Facile method for preparing organic/inorganic hybrid capsules using amino-functional silane coupling agent in aqueous media.

    PubMed

    Kurayama, Fumio; Suzuki, Satoru; Oyamada, Tetsuro; Furusawa, Takeshi; Sato, Masahide; Suzuki, Noboru

    2010-09-01

    A new and facile method for preparing microcapsules with 3-aminopropyltriethoxysilane (APTES)/alginate hybrid shell (AP-capsule) is proposed based on gelling and sol-gel processes. In this method, conventional capsules with alginate shells (Alg-capsule) are produced by dripping carboxymethyl cellulose solution containing calcium chloride into a sodium alginate solution. Subsequently, addition of the Alg-capsules to an aqueous APTES solution induces the formation of APTES/alginate hybrid shells. The optical observation shows that the texture of AP-capsules is more glossy and transparent than that of Alg-capsules. The surface morphology and elemental composition of microcapsules were characterized by Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Spectroscopy (XPS). The results suggest that APTES molecules are incorporated to the framework of the alginate shells via electrostatic interaction between amino groups of APTES and carboxyl groups of alginate and the hybrid shells have a dense and homogeneous structure. In the formation reaction, the shrinking of the capsule shells occurs and the accumulation of APTES in the capsule shells proceeds with pseudo first-order kinetics. Moreover, these behaviors are greatly influenced by pH of the reaction solution, especially promoted under acidic and alkaline conditions. Copyright 2010 Elsevier Inc. All rights reserved.

  6. Effect of sodium lauryl sulfate in dissolution media on dissolution of hard gelatin capsule shells.

    PubMed

    Zhao, Fang; Malayev, Vyacheslav; Rao, Venkatramana; Hussain, Munir

    2004-01-01

    Sodium lauryl sulfate (SLS) is a commonly used surfactant in dissolution media for poorly water soluble drugs. However, it has occasionally been observed that SLS negatively impacts the dissolution of drug products formulated in gelatin capsules. This study investigated the effect of SLS on the dissolution of hard gelatin capsule shells. The USP paddle method was used with online UV monitoring at 214 nm (peptide bond). Empty size #0 capsule shells were held to the bottom of the dissolution vessel by magnetic three-prong sinkers. SLS significantly slowed down the dissolution of gelatin shells at pH < 5. Visually, the gelatin shells transformed into some less-soluble precipitate under these conditions. This precipitate was found to contain a higher sulfur content than the gelatin control sample by elemental analysis, indicating that SLS is part of the precipitate. Additionally, the slowdown of capsule shell dissolution was shown to be dependent on the SLS concentration and the ionic strength of the media. SLS interacts with gelatin to form a less-soluble precipitate at pH < 5. The use of SLS in dissolution media at acidic pH should be carefully evaluated for gelatin capsule products.

  7. Core-shell structured SiO2@YVO4:Dy3+/Sm3+ phosphor particles: sol-gel preparation and characterization.

    PubMed

    Wang, H; Yu, M; Lin, C K; Lin, J

    2006-08-01

    Spherical SiO(2) particles have been coated with YVO(4):Dy(3+)/Sm(3+) phosphor layers by a Pechini sol-gel process, leading to the formation of core-shell structured SiO(2)@YVO(4):Dy(3+)/Sm(3+) particles. X-ray diffraction (XRD), Fourier-transform IR spectroscopy, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), photoluminescence (PL) spectra as well as lifetimes were used to characterize the resulting SiO(2)@YVO(4):Dy(3+)/Sm(3+) core-shell phosphors. The obtained core-shell phosphors have perfect spherical shape with narrow size distribution (average size ca. 300 nm), smooth surface and non-agglomeration. The thickness of shells could be easily controlled by changing the number of deposition cycles (20 nm for one deposition cycle). The core-shell particles show strong characteristic emission from Dy(3+) for SiO(2)@YVO(4):Dy(3+) and from Sm(3+) for SiO(2)@YVO(4):Sm(3+) due to an efficient energy transfer from YVO(4) host to them. The PL intensity of Dy(3+) and Sm(3+) increases with raising the annealing temperature and the number of coating cycles.

  8. Template-Free Hydrothermal Synthesis, Mechanism, and Photocatalytic Properties of Core-Shell CeO2 Nanospheres

    NASA Astrophysics Data System (ADS)

    Li, Huijie; Meng, Fanming; Gong, Jinfeng; Fan, Zhenghua; Qin, Rui

    2018-03-01

    CeO2 nanospheres with the core-shell nanostructure have been successfully synthesized by a template-free hydrothermal method. The structures, morphologies and optical properties of core-shell CeO2 nanospheres were analyzed by X-ray diffraction (XRD), TG, Fourier transform infrared spectroscopy, XRD, EDS, SAED, scanning electron microscopy and transmission electron microscopy, UV-Vis diffuse reflectance spectra, Raman analyses. The degradation efficiencies of core-shell CeO2 nanospheres for methyl orange were as high as 93.49, 95.67 and 98.28% within 160 min, and the rates of photo degradation of methyl orange by core-shell CeO2 nanospheres under UV-light were 0.01693, 0.01782 and 0.02375 min-1. Methyl orange was degraded in photocatalytic oxidation processes, which mainly gave the credit to a large number of reactive species including h+, surface superoxide species ·O2 -, and ·OH radicals. The core-shell structure, small crystallite size and the conversion between Ce3+ and Ce4+ of CeO2 nanospheres were of importance for its catalytic activity. These results demonstrated the possibility of improving the efficient catalysts of the earth abundant CeO2 catalysts.

  9. Iridescence of a shell of mollusk Haliotis Glabra

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Wong, D.; Lee, Paul

    2004-10-01

    Pearls and shells of some mollusks are attractive inorganic materials primarily owing to the beauty of their natural lustrous and iridescent surface. The iridescent colors can be explained by diffraction or interference or both, depending on the microstructure of the surface. Strong iridescent colors are very evident on the polished shell of the mollusk Haliotis Glabra, commonly known as abalone. It would be interesting to study how these colors are produced on the surface of the shell. By using a scanning electron microscope (SEM), the surface of the shell is found to have a fine-scale diffraction grating structure, and stacks of thin crystalline nacreous layers or platelets are found below the surface. These observations suggest that the iridescent colors are caused by both diffraction and interference. From measurements done on the diffraction patterns that were obtained using a He-Ne laser illuminating the shell, the groove width of the grating structure was derived. Good agreement was found between the derived groove density by diffraction and that measured directly using the SEM. The crystalline structure of the nacreous layers of the shell is studied using Fourier transform infrared spectroscopy and SEM observations. The infrared absorption peaks of 700, 713, 862 and 1083 cm-1 confirmed that the nacre of the shell is basically aragonite. The strong iridescent colors of the shell are the result of high groove density on the surface which causes diffraction. The uniform stacking of layers of nacre below the surface of the shell also causes interference effects that contribute to the iridescent colors.

  10. Surfactant mediated hydrothermal synthesis, characterization and luminescent properties of GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} @ GdPO{sub 4} core shell nanorods

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

    Khajuria, Heena; Ladol, Jigmet; Khajuria, Sonika

    Highlights: • Core shell nanorods were synthesised by surfactant assisted hydrothermal method. • Morphology of core shell nanorods resembles those of core nanorods indicating coating of shell on cores. • More uniform and non-aggregated core shell nanorods were prepared in presence of surfactants. • Surfactant assisted prepared core shell nanorods show intense emission as compared to uncoated core nanorods. - Abstract: Core shell GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} @ GdPO{sub 4} nanorods were synthesized via hydrothermal route in the presence of different surfactants [cetyltrimethyl ammonium bromide (CTAB) and Sodium dodecyl sulphate (SDS)]. The nanorods were characterized by powder X-ray diffractionmore » (PXRD), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and photoluminescence (PL) studies. The X-ray diffraction results indicate good crystallinity and effective doping in core and core shell nanorods. SEM and TEM micrographs show that all of the as prepared gadolinium phosphate products have rod like shape. The compositional analysis of GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} core was done by EDS. The emission intensity of the GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} @ GdPO{sub 4} core shell increased significantly with respect to those of GdPO{sub 4}: Ce{sup 3+}/Tb{sup 3+} core nanorods. The effect of surfactant on the uniformity, thickness and luminescence of the core shell nanorods was investigated.« less

  11. Numerical nonlinear inelastic analysis of stiffened shells of revolution. Volume 3: Engineer's program manual for STARS-2P digital computer program

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.; Levine, H.; Ogilvie, P.

    1975-01-01

    Engineering programming information is presented for the STARS-2P (shell theory automated for rotational structures-2P (plasticity)) digital computer program, and FORTRAN 4 was used in writing the various subroutines. The execution of this program requires the use of thirteen temporary storage units. The program was initially written and debugged on the IBM 370-165 computer and converted to the UNIVAC 1108 computer, where it utilizes approximately 60,000 words of core. Only basic FORTRAN library routines are required by the program: sine, cosine, absolute value, and square root.

  12. Effects for rapid conversion from abalone shell to hydroxyapaptite nanosheets by ionic surfactants.

    PubMed

    Zhong, Shengnan; Wen, Zhenliang; Chen, Jingdi; Li, Qian; Shi, Xuetao; Ding, Shinnjyh; Zhang, Qiqing

    2017-08-01

    Hydroxyapatite (HAP) has been widely used for repairing or substituting human hard tissues. In this paper, two typical ionic surfactants, cation hexadecyltrimethylammonium bromide (CTAB) and anion sodium dodecyl sulfate (SDS), were used for rapid conversion of HAP from abalone shell. From field emission scanning electron microscopy (FESEM), the prepared HAP is flake-like structure. From X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and thermal analysis, these samples contain a small amount of calcium carbonate whose content gradually increases by increasing the surfactants. The results showed that the HAP formed fast on the layer of abalone shell powder with the assistance of CTAB and SDS. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Open sd-shell nuclei from first principles

    DOE PAGES

    Jansen, Gustav R.; Signoracci, Angelo J.; Hagen, Gaute; ...

    2016-07-05

    We extend the ab initio coupled-cluster effective interaction (CCEI) method to open-shell nuclei with protons and neutrons in the valence space, and compute binding energies and excited states of isotopes of neon and magnesium. We employ a nucleon-nucleon and three-nucleon interaction from chiral effective field theory evolved to a lower cutoff via a similarity renormalization group transformation. We find good agreement with experiment for binding energies and spectra, while charge radii of neon isotopes are underestimated. For the deformed nuclei 20Ne and 24Mg we reproduce rotational bands and electric quadrupole transitions within uncertainties estimated from an effective field theory formore » deformed nuclei, thereby demonstrating that collective phenomena in sd-shell nuclei emerge from complex ab initio calculations.« less

  14. Open sd-shell nuclei from first principles

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

    Jansen, Gustav R.; Signoracci, Angelo J.; Hagen, Gaute

    We extend the ab initio coupled-cluster effective interaction (CCEI) method to open-shell nuclei with protons and neutrons in the valence space, and compute binding energies and excited states of isotopes of neon and magnesium. We employ a nucleon-nucleon and three-nucleon interaction from chiral effective field theory evolved to a lower cutoff via a similarity renormalization group transformation. We find good agreement with experiment for binding energies and spectra, while charge radii of neon isotopes are underestimated. For the deformed nuclei 20Ne and 24Mg we reproduce rotational bands and electric quadrupole transitions within uncertainties estimated from an effective field theory formore » deformed nuclei, thereby demonstrating that collective phenomena in sd-shell nuclei emerge from complex ab initio calculations.« less

  15. Conventions and workflows for using Situs

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

    Wriggers, Willy, E-mail: wriggers@biomachina.org

    2012-04-01

    Recent developments of the Situs software suite for multi-scale modeling are reviewed. Typical workflows and conventions encountered during processing of biophysical data from electron microscopy, tomography or small-angle X-ray scattering are described. Situs is a modular program package for the multi-scale modeling of atomic resolution structures and low-resolution biophysical data from electron microscopy, tomography or small-angle X-ray scattering. This article provides an overview of recent developments in the Situs package, with an emphasis on workflows and conventions that are important for practical applications. The modular design of the programs facilitates scripting in the bash shell that allows specific programs tomore » be combined in creative ways that go beyond the original intent of the developers. Several scripting-enabled functionalities, such as flexible transformations of data type, the use of symmetry constraints or the creation of two-dimensional projection images, are described. The processing of low-resolution biophysical maps in such workflows follows not only first principles but often relies on implicit conventions. Situs conventions related to map formats, resolution, correlation functions and feature detection are reviewed and summarized. The compatibility of the Situs workflow with CCP4 conventions and programs is discussed.« less

  16. 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.

  17. Electroless nickel – phosphorus coating on crab shell particles and its characterization

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

    Arulvel, S., E-mail: gs.arulvel.research@gmail.com; Elayaperumal, A.; Jagatheeshwaran, M.S.

    Being hydrophilic material, crab shell particles have only a limited number of applications. It is, therefore, necessary to modify the surface of the crab shell particles. To make them useful ever for the applications, the main theme we proposed in this article is to utilize crab shell particles (CSP) with the core coated with nickel phosphorus (NiP) as a shell using the electroless coating process. For dealing with serious environmental problems, utilization of waste bio-shells is always an important factor to be considered. Chelating ability of crab shell particles eliminates the surface activation in this work proceeding to the coatingmore » process. The functional group, phase structure, microstructure, chemical composition and thermal analysis of CSP and NiP/CSP were characterized using Fourier transform infra-red spectroscopy (FTIR), x-ray diffraction analyzer (XRD), scanning electron microscope (SEM), energy-dispersive x-ray spectroscopy (EDS), and thermogravimetric analysis (TGA). The combination of an amorphous and crystalline structure was exhibited by CSP and NiP/CSP. NiP/CSP has shown a better thermal stability when compared to uncoated CSP. Stability test, adsorption test, and conductivity test were conducted for the study of adsorption behavior and conductivity of the particles. CSP presented a hydrophilic property in contrast to hydrophobic NiP/CSP. NiP/CSP presented a conductivity of about 44% greater compared to the CSP without any fluctuations. - Highlights: • Utilization of crab shell waste is focused on. • NiP coating on crab shell particle is fabricated using electroless process. • Thermal analysis, stability test, adsorption test and conductivity test were done. • Organic matrix of crab shell particle favors the coating process. • Results demonstrate the characterization of CSP core – NiP shell structure.« less

  18. Temporary Shell Proof-of-Concept Technique: Digital-Assisted Workflow to Enable Customized Immediate Function in Two Visits in Partially Edentulous Patients

    PubMed

    Pozzi, Alessandro; Arcuri, Lorenzo; Moy, Peter K

    2018-03-01

    The growing interest in minimally invasive implant placement and delivery of a prefabricated provisional prosthesis immediately, thus minimizing "time to teeth," has led to the development of numerous 3-dimensional (3D) planning software programs. Given the enhancements associated with fully digital workflows, such as better 3D soft-tissue visualization and virtual tooth rendering, computer-guided implant surgery and immediate function has become an effective and reliable procedure. This article describes how modern implant planning software programs provide a comprehensive digital platform that enables efficient interplay between the surgical and restorative aspects of implant treatment. These new technologies that streamline the overall digital workflow allow transformation of the digital wax-up into a personalized, CAD/CAM-milled provisional restoration. Thus, collaborative digital workflows provide a novel approach for time-efficient delivery of a customized, screw-retained provisional restoration on the day of implant surgery, resulting in improved predictability for immediate function in the partially edentate patient.

  19. Quality Evaluation of Shelled and Unshelled Macadamia Nuts by Means of Near-Infrared Spectroscopy (NIR).

    PubMed

    Canneddu, Giovanna; Júnior, Luis Carlos Cunha; de Almeida Teixeira, Gustavo Henrique

    2016-07-01

    The quality of shelled and unshelled macadamia nuts was assessed by means of Fourier transformed near-infrared (FT-NIR) spectroscopy. Shelled macadamia nuts were sorted as sound nuts; nuts infected by Ecdytolopha aurantiana and Leucopteara coffeella; and cracked nuts caused by germination. Unshelled nuts were sorted as intact nuts (<10% half nuts, 2014); half nuts (March, 2013; November, 2013); and crushed nuts (2014). Peroxide value (PV) and acidity index (AI) were determined according to AOAC. PCA-LDA shelled macadamia nuts classification resulted in 93.2% accurate classification. PLS PV prediction model resulted in a square error of prediction (SEP) of 3.45 meq/kg, and a prediction coefficient determination value (Rp (2) ) of 0.72. The AI PLS prediction model was better (SEP = 0.14%, Rp (2) = 0.80). Although adequate classification was possible (93.2%), shelled nuts must not contain live insects, therefore the classification accuracy was not satisfactory. FT-NIR spectroscopy can be successfully used to predict PV and AI in unshelled macadamia nuts, though. © 2016 Institute of Food Technologists®

  20. Problems in understanding the structure and assembly of viruses

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

    King, J.

    1997-12-01

    Though viruses infect the cells of all groups of animals, plants, and microorganisms, their structures follow a limited number of general themes; spherical or cylindrical shells built of hundreds of repeated protein subunits enclosing a nucleic acid - DNA or RNA - genome. Since the 1960s it has been known that the protein shells of spherical viruses in fact conform to icosahedral symmetry or to subtle deviations from icosahedral symmetry. The construction of the shell lattices and the transformations they go through in the different stages of the viral life cycle are not fully understood. The shells contain the nucleicmore » in a highly condensed state, of unknown coiling/organization. Features of the well studied bacterial viruses will be reviewed, with examples from adenoviruses, herpesviruses, poliovirus, and HIV. The emergence of new viral disease has led to increased interest in the development of agents which interfere with virus reproduction at the level of the assembly or function of the organized particle. Recently computational approaches to the problem of virus assembly have made important contributions to clarifying shell assembly processes. 1 ref.« less

  1. Transformable liquid-metal nanomedicine

    PubMed Central

    Lu, Yue; Hu, Quanyin; Lin, Yiliang; Pacardo, Dennis B.; Wang, Chao; Sun, Wujin; Ligler, Frances S.; Dickey, Michael D.; Gu, Zhen

    2015-01-01

    To date, numerous inorganic nanocarriers have been explored for drug delivery systems (DDSs). However, the clinical application of inorganic formulations has often been hindered by their toxicity and failure to biodegrade. We describe here a transformable liquid-metal nanomedicine, based on a core–shell nanosphere composed of a liquid-phase eutectic gallium-indium core and a thiolated polymeric shell. This formulation can be simply produced through a sonication-mediated method with bioconjugation flexibility. The resulting nanoparticles loaded with doxorubicin (Dox) have an average diameter of 107 nm and demonstrate the capability to fuse and subsequently degrade under a mildly acidic condition, which facilitates release of Dox in acidic endosomes after cellular internalization. Equipped with hyaluronic acid, a tumour-targeting ligand, this formulation displays enhanced chemotherapeutic inhibition towards the xenograft tumour-bearing mice. This liquid metal-based DDS with fusible and degradable behaviour under physiological conditions provides a new strategy for engineering theranostic agents with low toxicity. PMID:26625944

  2. Transformable liquid-metal nanomedicine

    NASA Astrophysics Data System (ADS)

    Lu, Yue; Hu, Quanyin; Lin, Yiliang; Pacardo, Dennis B.; Wang, Chao; Sun, Wujin; Ligler, Frances S.; Dickey, Michael D.; Gu, Zhen

    2015-12-01

    To date, numerous inorganic nanocarriers have been explored for drug delivery systems (DDSs). However, the clinical application of inorganic formulations has often been hindered by their toxicity and failure to biodegrade. We describe here a transformable liquid-metal nanomedicine, based on a core-shell nanosphere composed of a liquid-phase eutectic gallium-indium core and a thiolated polymeric shell. This formulation can be simply produced through a sonication-mediated method with bioconjugation flexibility. The resulting nanoparticles loaded with doxorubicin (Dox) have an average diameter of 107 nm and demonstrate the capability to fuse and subsequently degrade under a mildly acidic condition, which facilitates release of Dox in acidic endosomes after cellular internalization. Equipped with hyaluronic acid, a tumour-targeting ligand, this formulation displays enhanced chemotherapeutic inhibition towards the xenograft tumour-bearing mice. This liquid metal-based DDS with fusible and degradable behaviour under physiological conditions provides a new strategy for engineering theranostic agents with low toxicity.

  3. 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.

  4. NASA automatic system for computer program documentation, volume 2

    NASA Technical Reports Server (NTRS)

    Simmons, D. B.

    1972-01-01

    The DYNASOR 2 program is used for the dynamic nonlinear analysis of shells of revolution. The equations of motion of the shell are solved using Houbolt's numerical procedure. The displacements and stress resultants are determined for both symmetrical and asymmetrical loading conditions. Asymmetrical dynamic buckling can be investigated. Solutions can be obtained for highly nonlinear problems utilizing as many as five of the harmonics generated by SAMMSOR program. A restart capability allows the user to restart the program at a specified time. For Vol. 1, see N73-22129.

  5. Reliability analysis of laminated CMC components through shell subelement techniques

    NASA Technical Reports Server (NTRS)

    Starlinger, A.; Duffy, S. F.; Gyekenyesi, J. P.

    1992-01-01

    An updated version of the integrated design program C/CARES (composite ceramic analysis and reliability evaluation of structures) was developed for the reliability evaluation of CMC laminated shell components. The algorithm is now split in two modules: a finite-element data interface program and a reliability evaluation algorithm. More flexibility is achieved, allowing for easy implementation with various finite-element programs. The new interface program from the finite-element code MARC also includes the option of using hybrid laminates and allows for variations in temperature fields throughout the component.

  6. Wilson lines in the MHV action

    DOE PAGES

    Kotko, P.; Stasto, A. M.

    2017-09-12

    The MHV action is the Yang-Mills action quantized on the light-front, where the two explicit physical gluonic degrees of freedom have been canonically transformed to a new set of fields. This transformation leads to the action with vertices being off-shell continuations of the MHV amplitudes. We show that the solution to the field transformation expressing one of the new fields in terms of the Yang-Mills field is a certain type of the Wilson line. More precisely, it is a straight infinite gauge link with a slope extending to the light-cone minus and the transverse direction. One of the consequences ofmore » that fact is that certain MHV vertices reduced partially on-shell are gauge invariant — a fact discovered before using conventional light-front perturbation theory. We also analyze the diagrammatic content of the field transformations leading to the MHV action. We found that the diagrams for the solution to the transformation (given by the Wilson line) and its inverse differ only by light-front energy denominators. Further, we investigate the coordinate space version of the inverse solution to the one given by the Wilson line. We find an explicit expression given by a power series in fields. We also give a geometric interpretation to it by means of a specially defined vector field. Finally, we discuss the fact that the Wilson line solution to the transformation is directly related to the all-like helicity gluon wave function, while the inverse functional is a generating functional for solutions of self-dual Yang-Mills equations.« less

  7. Wilson lines in the MHV action

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

    Kotko, P.; Stasto, A. M.

    The MHV action is the Yang-Mills action quantized on the light-front, where the two explicit physical gluonic degrees of freedom have been canonically transformed to a new set of fields. This transformation leads to the action with vertices being off-shell continuations of the MHV amplitudes. We show that the solution to the field transformation expressing one of the new fields in terms of the Yang-Mills field is a certain type of the Wilson line. More precisely, it is a straight infinite gauge link with a slope extending to the light-cone minus and the transverse direction. One of the consequences ofmore » that fact is that certain MHV vertices reduced partially on-shell are gauge invariant — a fact discovered before using conventional light-front perturbation theory. We also analyze the diagrammatic content of the field transformations leading to the MHV action. We found that the diagrams for the solution to the transformation (given by the Wilson line) and its inverse differ only by light-front energy denominators. Further, we investigate the coordinate space version of the inverse solution to the one given by the Wilson line. We find an explicit expression given by a power series in fields. We also give a geometric interpretation to it by means of a specially defined vector field. Finally, we discuss the fact that the Wilson line solution to the transformation is directly related to the all-like helicity gluon wave function, while the inverse functional is a generating functional for solutions of self-dual Yang-Mills equations.« less

  8. Theoretical Investigation of Thermo-Mechanical Behavior of Carbon Nanotube-Based Composites Using the Integral Transform Method

    NASA Technical Reports Server (NTRS)

    Pawloski, Janice S.

    2001-01-01

    This project uses the integral transform technique to model the problem of nanotube behavior as an axially symmetric system of shells. Assuming that the nanotube behavior can be described by the equations of elasticity, we seek a stress function x which satisfies the biharmonic equation: del(exp 4) chi = [partial deriv(r(exp 2)) + partial deriv(r) + partial deriv(z(exp 2))] chi = 0. The method of integral transformations is used to transform the differential equation. The symmetry with respect to the z-axis indicates that we only need to consider the sine transform of the stress function: X(bar)(r,zeta) = integral(from 0 to infinity) chi(r,z)sin(zeta,z) dz.

  9. Interior Department Suggests Improvements for Offshore Arctic Oil and Gas Drilling

    NASA Astrophysics Data System (ADS)

    Showstack, Randy

    2013-03-01

    Shell's "difficulties" during its 2012 program to drill offshore oil and natural gas exploration wells in the Alaskan Arctic Ocean "have raised serious questions regarding its ability to operate safely and responsibly in the challenging and unpredictable conditions offshore Alaska," according to the report "Review of Shell's 2012 Alaska Offshore Oil and Gas Exploration Program," issued by the U.S. Department of the Interior (DOI) on 8 March. Noting the company's lack of adequate preparation for drilling in the Arctic, its failure to deploy a specialized Arctic Containment System, and the grounding of the Kulluk drilling rig near Kodiak Island last December, the report recommends that Shell develop a comprehensive and integrated plan describing its future drilling program and related operations and that it commission a third-party audit of its management systems, including its safety and environmental management systems program.

  10. Architecture in outer space. [multilayer shell systems filled with gas

    NASA Technical Reports Server (NTRS)

    Pokrovskiy, G. I.

    1974-01-01

    Mulilayer thin film structures consisting of systems of shells filled with gas at some pressure are recommended for outer space structures: Large mirrors to collect light and radio waves, protection against meteoric impact and damage, and for connectors between state space stations in the form of orbital rings. It is projected that individual orbital rings will multiply and completely seal a star trapping its high temperature radiation and transforming it into low temperature infrared and short wave radio emission; this radiation energy could be utilized for technological and biological processes.

  11. Explicit formulation of an anisotropic Allman/DKT 3-node thin triangular flat shell elements

    NASA Astrophysics Data System (ADS)

    Ertas, A.; Krafcik, J. T.; Ekwaro-Osire, S.

    A simple, explicit formulation of the stiffness matrix for an anisotropic, 3-node, thin triangular, flat shell element in global coordinates is presented. An Allman triangle is used for membrane stiffness. The membrane stiffness matrix is explicitly derived by applying an Allman transformation to a Felippa 6-node linear strain triangle (LST). Bending stiffness is incorporated by the use of a discrete Kirchhoff triangle (DKT) bending triangle. Stiffness terms resulting from anisotropic membrane-bending coupling are included by integrating, in area coordinates, membrane and bending strain-displacement matrices.

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

    Kaur, Maninder; Dai, Qilin; Bowden, Mark E.

    Chromium (Cr) forms a solid solution with iron (Fe) lattice when doped in core-shell iron -iron oxide nanocluster (NC) and shows a mixed phase of sigma (σ) FeCr and bcc Fe. The Cr dopant affects heavily the magnetization and magnetic reversal process, and causes the hysteresis loop to shrink near the zero field axis. Dramatic transformation happens from dipolar interaction (0 at. % Cr) to strong exchange interaction (8 at. % of Cr) is confirmed from the Henkel plot and delta M plot, and is explained by a water-melon model of core-shell NC system.

  13. Au-HKUST-1 Composite Nanocapsules: Synthesis with a Coordination Replication Strategy and Catalysis on CO Oxidation.

    PubMed

    Liu, Yongxin; Zhang, Jiali; Song, Lingxiao; Xu, Wenyuan; Guo, Zanru; Yang, Xiaomin; Wu, Xiaoxin; Chen, Xi

    2016-09-07

    A novel coordination replication of Cu2O redox-template strategy is reported to efficiently fabricate Au-HKUST-1 composite nanocapsule, with a HKUST-1 sandwich shell and an embedded Au nanoparticles layer. The novel synthesis procedure involves forming Au nanoparticles on the surface of Cu2O, transforming partial Cu2O into HKUST-1 shell via coordination replication, and removing the residual Cu2O by acid. The as-prepared Au-HKUST-1 composite nanocapsules displayed high catalytic activity on CO oxidation.

  14. Electroless nickel - phosphorus coating on crab shell particles and its characterization

    NASA Astrophysics Data System (ADS)

    Arulvel, S.; Elayaperumal, A.; Jagatheeshwaran, M. S.

    2017-04-01

    Being hydrophilic material, crab shell particles have only a limited number of applications. It is, therefore, necessary to modify the surface of the crab shell particles. To make them useful ever for the applications, the main theme we proposed in this article is to utilize crab shell particles (CSP) with the core coated with nickel phosphorus (NiP) as a shell using the electroless coating process. For dealing with serious environmental problems, utilization of waste bio-shells is always an important factor to be considered. Chelating ability of crab shell particles eliminates the surface activation in this work proceeding to the coating process. The functional group, phase structure, microstructure, chemical composition and thermal analysis of CSP and NiP/CSP were characterized using Fourier transform infra-red spectroscopy (FTIR), x-ray diffraction analyzer (XRD), scanning electron microscope (SEM), energy-dispersive x-ray spectroscopy (EDS), and thermogravimetric analysis (TGA). The combination of an amorphous and crystalline structure was exhibited by CSP and NiP/CSP. NiP/CSP has shown a better thermal stability when compared to uncoated CSP. Stability test, adsorption test, and conductivity test were conducted for the study of adsorption behavior and conductivity of the particles. CSP presented a hydrophilic property in contrast to hydrophobic NiP/CSP. NiP/CSP presented a conductivity of about 44% greater compared to the CSP without any fluctuations.

  15. Synthesis of stiffened shells of revolution

    NASA Technical Reports Server (NTRS)

    Thornton, W. A.

    1974-01-01

    Computer programs for the synthesis of shells of various configurations were developed. The conditions considered are: (1) uniform shells (mainly cones) using a membrane buckling analysis, (2) completely uniform shells (cones, spheres, toroidal segments) using linear bending prebuckling analysis, and (3) revision of second design process to reduce the number of design variables to about 30 by considering piecewise uniform designs. A perturbation formula was derived and this allows exact derivatives of the general buckling load to be computed with little additional computer time.

  16. 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

  17. Bäcklund Transformations in 10D SUSY Yang-Mills Theories

    NASA Astrophysics Data System (ADS)

    Gervais, Jean-Loup

    A Bäcklund transformation is derived for the Yang's type (super) equations previously derived (hep-th/9811108) by M. Saveliev and the author, from the ten-dimensional super-Yang-Mills field equations in an on-shell light cone gauge. It is shown to be based upon a particular gauge transformation satisfying nonlinear conditions which ensure that the equations retain the same form. These Yang's type field equations are shown to be precisely such that they automatically provide a solution of these conditions. This Bäcklund transformation is similar to the one proposed by A. Leznov for self-dual Yang-Mills in four dimensions. In the introduction a personal recollection on the birth of supersymmetry is given.

  18. Numerical nonlinear inelastic analysis of stiffened shells of revolution. Volume 1: Theory manual for STARS-2P digital computer program

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.; Levine, H.

    1975-01-01

    The theoretical analysis background for the STARS-2P nonlinear inelastic program is discussed. The theory involved is amenable for the analysis of large deflection inelastic behavior in axisymmetric shells of revolution subjected to axisymmetric loadings. The analysis is capable of considering such effects as those involved in nonproportional and cyclic loading conditions. The following are also discussed: orthotropic nonlinear kinematic hardening theory; shell wall cross sections and discrete ring stiffeners; the coupled axisymmetric large deflection elasto-plastic torsion problem; and the provision for the inelastic treatment of smeared stiffeners, isogrid, and waffle wall constructions.

  19. Plasma Radiation Source Development Program

    DTIC Science & Technology

    2006-03-01

    shell mass distributions perform belter than thin shells. The dual plenum, double shell load has unique diagnostic features that enhance our...as implosion time increases. 13. SUBJECT TERMS Zpinch x-ray diagnostics Rayleigh-Taylor instability pulsed-power x-ray spectroscopy supersonic...feature permits some very useful diagnostics that shed light on critical details of the implosion process. See Section 3 for details. We have

  20. Transforming Shell and Society Elements in Human Settlements for Sustainable Tourism Development: Setu Babakan, South Jakarta, Indonesia

    NASA Astrophysics Data System (ADS)

    Koncara, R. M. P.; Tiarasari, R.; Pratiwi, W. D.

    2018-05-01

    The government has established the settlements around Setu Babakan as Betawi Cultural Village (PBB). The goal of PBB Setu Babakan is to preserve Betawi culture which is fading, and realized by making the location as a tourism destination in South Jakarta. This paper discusses the transformation on the two ekistics elements in human settlements around Setu Babakan; shell and society in the development of tourism. Shell as a physical element is reflected in the citizen’s houses which are adapted into traditional Betawi houses. While the society refers to Setu Babakan’s citizen who participated as economic actors by selling traditional Betawi food and beverages, as well as a performers at the Betawi traditional art performances. In its application, the adaptation of citizen’s houses into traditional Betawi house cannot be done completely. The adaptation that can be done to the residents’ houses is by beautification in the appearance of the building. The application of typical Betawi ornaments makes the settlement feels like Betawi traditional village. This is one of the attractions for tourists. They can enjoy the atmosphere of Betawi village, enjoy Betawi food and beverages, watch Betawi art performance, and enjoy the lake tour at PBB Setu Babakan.

  1. Increased nuclear energy yields from the fast implosion of cold shells driven by nonlinear laser plasma interactions

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

    Hora, H.

    1976-02-01

    The nonlinear interaction force between intense laser fields and cold plasma shells efficiently transforms radiant energy into mechanical energy of implosion. This transfer of energy has been considered before in numerical experiments and it is treated here analytically in a didactic example starting with an inhomogeneous Rayleigh density profile. Up to 50% of the laser energy can be transformed into the energy of compression if a single ''untailored'' pulse of 2.5 x 10/sup 16/ W/cm/sup 2/ intensity and of only a few picosecond duration is used for spherical illumination of a shell. If the pulse is short enough to reducemore » collisional thermalization, then the collapse and compression of the plasma can remain at the threshold of Fermi degeneracy and still be adiabatic. This results in nuclear reaction gains G, based on the deposited energy, E/sub 0/, and without ..cap alpha..-particle reheating, of G=400 for E/sub 0/=2.25 kJ ((D--T reaction), 900 kJ (D--D), 13 MJ (H--B). About 1000 times less laser energy is necessary than in the case of gas dynamic ablation resulting in the same nuclear reaction yields. (AIP)« less

  2. 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.

  3. Ultrathin TiO2 layer coated-CdS spheres core-shell nanocomposite with enhanced visible-light photoactivity.

    PubMed

    Chen, Zhang; Xu, Yi-Jun

    2013-12-26

    Development of various strategies for controllable fabrication of core-shell nanocomposites (CSNs) with highly active photocatalytic performance has been attracting ever-increasing research attention. In particular, control of the ultrathin layer TiO2 shell in constructing CSNs in an aqueous phase is a significant but technologically challenging issue. Here, this paper demonstrates the interface assembly synthesis of CdS nanospheres@TiO2 core-shell photocatalyst via the electrostatic interaction of negatively charged water-stable titania precursor with positively charged CdS nanospheres (CdS NSPs), followed by the formation of the ultrathin-layer TiO2 shell through a facile refluxing process in aqueous phase. The as-formed CdS NSPs@TiO2 core-shell nanohybrid exhibits a high visible-light-driven photoactivity for selective transformation and reduction of heavy metal ions. The ultrathin TiO2 layer coated on CdS NSPs results in excellent light transmission property, enhanced adsorption capacity, and improved transfer of charge carriers and lifespan of photoinduced electron-hole pairs, which would prominently contribute to the significant photoactivity enhancement. It is anticipated that this facile aqueous-phase synthesis strategy could be extended to design a variety of more efficient CSN photocatalysts with controllable morphology toward target applications in diverse photoredox processes.

  4. Fast-Dissolving Core-Shell Composite Microparticles of Quercetin Fabricated Using a Coaxial Electrospray Process

    PubMed Central

    Li, Chen; Yu, Deng-Guang; Williams, Gareth R.; Wang, Zhuan-Hua

    2014-01-01

    This study reports on novel fast-dissolving core-shell composite microparticles of quercetin fabricated using coaxial electrospraying. A PVC-coated concentric spinneret was developed to conduct the electrospray process. A series of analyses were undertaken to characterize the resultant particles in terms of their morphology, the physical form of their components, and their functional performance. Scanning and transmission electron microscopies revealed that the microparticles had spherical morphologies with clear core-shell structure visible. Differential scanning calorimetry and X-ray diffraction verified that the quercetin active ingredient in the core and sucralose and sodium dodecyl sulfate (SDS) excipients in the shell existed in the amorphous state. This is believed to be a result of second-order interactions between the components; these could be observed by Fourier transform infrared spectroscopy. In vitro dissolution and permeation studies showed that the microparticles rapidly released the incorporated quercetin within one minute, and had permeation rates across the sublingual mucosa around 10 times faster than raw quercetin. PMID:24643072

  5. Vitellogenesis in Archigetes sieboldi Leuckart, 1878 (Cestoda, Caryophyllidea, Caryophyllaeidae), an intestinal parasite of carp (Cyprinus carpio L.).

    PubMed

    Brunanská, M; Mackiewicz, J S; Nebesárová, J

    2012-12-01

    Vitellogenesis in the caryophyllidean tapeworm Archigetes sieboldi Leuckart, 1878, from carp Cyprinus carpio L. in Slovakia, has been examined using transmission electron microscopy and cytochemical staining with periodic acid-thiosemicarbazide-silver proteinate (PA-TSC-SP) for glycogen. Vitelline follicles extend in two lateral bands in the medullary parenchyma along both sides of the monozoic body. They are surrounded by an external basal lamina and contain vitellocytes and an interstitial tissue. The general pattern of vitellogenesis is essentially like that of other caryophyllideans. It involves four stages: immature, early maturing, advanced maturing cells and mature vitellocytes. During vitellogenesis, a continuous increase in cell volume is accompanied by an extensive development of cell components engaged in shell globule formation, e.g. granular endoplasmic reticulum and Golgi. Shell globule clusters are membrane-bound. Nuclear and nucleolar transformation are associated with formation and storage of large amounts of intranuclear glycogen, a very specific feature of the Caryophyllidea. For the first time, (a) additional vitelline material in Archigetes is represented by lamellar bodies and (b) lipid droplets are described in the mature vitellocytes from vitelline follicles and vitelloduct of the Caryophyllidea. Our results indicate that there may be a double origin of lamellar bodies: either from the endoplasmic reticulum or through transformation of shell globule/shell globule clusters. Lamellar body clusters and some single lamellar bodies appear to have a membrane. Other ultrastructural features of vitellogenesis and/or vitellocyte in A. sieboldi from its vertebrate (fish) and invertebrate (oligochaete) hosts are briefly compared and contrasted with those in other caryophyllideans and/or Neodermata.

  6. Buckling Of Shells Of Revolution /BOSOR/ with various wall constructions

    NASA Technical Reports Server (NTRS)

    Almroth, B. O.; Bushnell, D.; Sobel, L. H.

    1969-01-01

    Computer program, using numerical integration and finite difference techniques, solves almost any buckling problem for shells exhibiting orthotropic behavior. Stability analyses can be performed with reasonable accuracy and without unduly restrictive approximations.

  7. PF-WFS Shell Inspection Update December 2016

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

    Vigil, Anthony Eugene; Ledoux, Reina Rebecca; Gonzales, Antonio R.

    Since the last project update in FY16:Q2, PF-WFS personnel have advanced in understanding of shell inspection on Coordinate Measuring Machines {CMM} and refined the PF-WFS process to the point it was decided to convert shell inspection from the Sheffield #1 gage to Lietz CM Ms. As a part of introspection on the quality of this process many sets of data have been reviewed and analyzed. This analysis included Sheffield to CMM comparisons, CMM inspection repeatability, fixturing differences, quality check development, probing approach changes. This update report will touch on these improvements that have built the confidence in this process tomore » mainstream it inspecting shells. In addition to the CMM programming advancements, the continuation in refinement of input and outputs for the CMM program has created an archiving scheme, input spline files, an output metafile, and inspection report package. This project will continue to mature. Part designs may require program modifications to accommodate "new to this process" part designs. Technology limitations tied to security and performance are requiring possible changes to computer configurations to support an automated process.« less

  8. A computer program for analyzing unresolved Mossbauer hyperfine spectra

    NASA Technical Reports Server (NTRS)

    Schiess, J. R.; Singh, J. J.

    1978-01-01

    The program for analyzing unresolved Mossbauer hyperfine spectra was written in FORTRAN 4 language for the Control Data CYBER 170 series digital computer system with network operating system 1.1. With the present dimensions, the program requires approximately 36,000 octal locations of core storage. A typical case involving two innermost coordination shells in which the amplitudes and the peak positions of all three components were estimated in 25 iterations requires 30 seconds on CYBER 173. The program was applied to determine the effects of various near neighbor impurity shells on hyperfine fields in dilute FeAl alloys.

  9. Physical reasons of emission transformation in infrared CdSeTe/ZnS quantum dots at bioconjugation

    NASA Astrophysics Data System (ADS)

    Torchynska, T. V.

    2015-04-01

    The core/shell CdSeTe/ZnS quantum dots (QDs) with emission at 780-800 nm (1.55-1.60 eV) have been studied by means of photoluminescence (PL) and Raman scattering methods in the nonconjugated state and after conjugation to different antibodies (Ab): (i) mouse monoclonal [8C9] human papilloma virus Ab, anti-HPV 16-E7 Ab, (ii) mouse monoclonal [C1P5] human papilloma virus HPV16 E6+HPV18 E6 Ab, and (iii) pseudo rabies virus (PRV) Ab. The transformations of PL and Raman scattering spectra of QDs, stimulated by conjugated antibodies, have been revealed and discussed. The energy band diagram of core/shell CdSeTe/ZnS QDs has been designed that helps to analyze the PL spectra and their transformations at the bioconjugation. It is shown that the core in CdSeTe/ZnS QDs is complex and including the type II quantum well. The last fact permits to explain the nature of infrared (IR) optical transitions (1.55-1.60 eV) and the high energy PL band (1.88-1.94 eV) in the nonconjugated and bioconjugated QDs. A set of physical reasons has been analyzed with the aim to explain the transformation of PL spectra in bioconjugated QDs. Finally it is shown that two factors are responsible for the PL spectrum transformation at bioconjugation to charged antibodies: (i) the change of energy band profile in QDs and (ii) the shift of QD energy levels in the strong quantum confinement case. The effect of PL spectrum transformation is useful for the study of QD bioconjugation to specific antibodies and can be a powerful technique for early medical diagnostics.

  10. A computer program for two-particle intrinsic coefficients of fractional parentage

    NASA Astrophysics Data System (ADS)

    Deveikis, A.

    2012-06-01

    A Fortran 90 program CESOS for the calculation of the two-particle intrinsic coefficients of fractional parentage for several j-shells with isospin and an arbitrary number of oscillator quanta (CESOs) is presented. The implemented procedure for CESOs calculation consistently follows the principles of antisymmetry and translational invariance. The approach is based on a simple enumeration scheme for antisymmetric many-particle states, efficient algorithms for calculation of the coefficients of fractional parentage for j-shells with isospin, and construction of the subspace of the center-of-mass Hamiltonian eigenvectors corresponding to the minimal eigenvalue equal to 3/2 (in ℏω). The program provides fast calculation of CESOs for a given particle number and produces results possessing small numerical uncertainties. The introduced CESOs may be used for calculation of expectation values of two-particle nuclear shell-model operators within the isospin formalism. Program summaryProgram title: CESOS Catalogue identifier: AELT_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELT_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 10 932 No. of bytes in distributed program, including test data, etc.: 61 023 Distribution format: tar.gz Programming language: Fortran 90 Computer: Any computer with a Fortran 90 compiler Operating system: Windows XP, Linux RAM: The memory demand depends on the number of particles A and the excitation energy of the system E. Computation of the A=6 particle system with the total angular momentum J=0 and the total isospin T=1 requires around 4 kB of RAM at E=0,˜3 MB at E=3, and ˜172 MB at E=5. Classification: 17.18 Nature of problem: The code CESOS generates a list of two-particle intrinsic coefficients of fractional parentage for several j-shells with isospin. Solution method: The method is based on the observation that CESOs may be obtained by diagonalizing the center-of-mass Hamiltonian in the basis set of antisymmetric A-particle oscillator functions with singled out dependence on Jacobi coordinates of two last particles and choosing the subspace of its eigenvectors corresponding to the minimal eigenvalue equal to 3/2. Restrictions: One run of the code CESOS generates CESOs for one specified set of (A,E,J,T) values only. The restrictions on the (A,E,J,T) values are completely determined by the restrictions on the computation of the single-shell CFPs and two-particle multishell CFPs (GCFPs) [1]. The full sets of single-shell CFPs may be calculated up to the j=9/2 shell (for any particular shell of the configuration); the shell with j⩾11/2 cannot get full (it is the implementation constraint). The calculation of GCFPs is limited by A<86 when E=0 (due to the memory constraints); small numbers of particles allow significantly higher excitations. Any allowed values of J and T may be chosen for the specified values of A and E. The complete list of allowed values of J and T for the chosen values of A and E may be generated by the GCFP program - CPC Program Library, Catalogue Id. AEBI_v1_0. The actual scale of the CESOs computation problem depends strongly on the magnitude of the A and E values. Though there are no limitations on A and E values (within the limits of single-shell CFPs and multishell CFPs calculation), however the generation of corresponding list of CESOs is the subject of available computing resources. For example, the computing time of CESOs for A=6, JT=10 at E=5 took around 14 hours. The system with A=11, JT=1/23/2 at E=2 requires around 15 hours. These computations were performed on Pentium 3 GHz PC with 1 GB RAM [2]. Unusual features: It is possible to test the computed CESOs without saving them to a file. This allows the user to learn their number and approximate computation time and to evaluate the accuracy of calculations. Additional comments: The program CESOS uses the code from GCFP program for calculation of the two-particle multishell coefficients of fractional parentage. Running time: It depends on the size of the problem. The A=6 particle system with the JT=01 took around 31 seconds on Pentium 3 GHz PC with 1 GB RAM at E=3 and about 2.6 hours at E=5.

  11. Computer program for analysis of imperfection sensitivity of ring stiffened shells of revolution

    NASA Technical Reports Server (NTRS)

    Cohen, G. A.

    1971-01-01

    A FORTRAN 4 digital computer program is presented for the initial postbuckling and imperfection sensitivity analysis of bifurcation buckling modes for ring-stiffened orthotropic multilayered shells of revolution. The boundary value problem for the second-order contribution to the buckled state was solved by the forward integration technique using the Runge-Kutta method. The effects of nonlinear prebuckling states and live pressure loadings are included.

  12. 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

  13. Highly exothermic and superhydrophobic Mg/fluorocarbon core/shell nanoenergetic arrays.

    PubMed

    Zhou, Xiang; Xu, Daguo; Yang, Guangcheng; Zhang, Qiaobao; Shen, Jinpeng; Lu, Jian; Zhang, Kaili

    2014-07-09

    Mg/fluorocarbon core/shell nanoenergetic arrays are prepared onto silicon substrate, with Mg nanorods as the core and fluorocarbon as the shell. Mg nanorods are deposited by the glancing angle deposition technique, and the fluorocarbon layer is then prepared as a shell to encase the Mg nanorods by the magnetron sputtering deposition process. Scanning electron microscopy and transmission electron microscopy show the core/shell structure of the Mg/fluorocarbon arrays. X-ray energy-dispersive spectroscopy, X-ray diffraction, and Fourier transform infrared spectroscopy are used to characterize the structural composition of the Mg/fluorocarbon. It is found that the as-prepared fluorocarbon layer consists of shorter molecular chains compared to that of bulk polytetrafluoroethylene, which is proven beneficial to the low onset reaction temperature of Mg/fluorocarbon. Water contact angle test demonstrates the superhydrophobicity of the Mg/fluorocarbon arrays, and a static contact angle as high as 162° is achieved. Thermal analysis shows that the Mg/fluorocarbon material exhibits a very low onset reaction temperature of about 270 °C as well as an ultrahigh heat of reaction approaching 9 kJ/g. A preliminary combustion test reveals rapid combustion wave propagation, and a convective mechanism is adopted to explain the combustion behaviors.

  14. Scalable Synthesis of Triple-Core-Shell Nanostructures of TiO2 @MnO2 @C for High Performance Supercapacitors Using Structure-Guided Combustion Waves.

    PubMed

    Shin, Dongjoon; Shin, Jungho; Yeo, Taehan; Hwang, Hayoung; Park, Seonghyun; Choi, Wonjoon

    2018-03-01

    Core-shell nanostructures of metal oxides and carbon-based materials have emerged as outstanding electrode materials for supercapacitors and batteries. However, their synthesis requires complex procedures that incur high costs and long processing times. Herein, a new route is proposed for synthesizing triple-core-shell nanoparticles of TiO 2 @MnO 2 @C using structure-guided combustion waves (SGCWs), which originate from incomplete combustion inside chemical-fuel-wrapped nanostructures, and their application in supercapacitor electrodes. SGCWs transform TiO 2 to TiO 2 @C and TiO 2 @MnO 2 to TiO 2 @MnO 2 @C via the incompletely combusted carbonaceous fuels under an open-air atmosphere, in seconds. The synthesized carbon layers act as templates for MnO 2 shells in TiO 2 @C and organic shells of TiO 2 @MnO 2 @C. The TiO 2 @MnO 2 @C-based electrodes exhibit a greater specific capacitance (488 F g -1 at 5 mV s -1 ) and capacitance retention (97.4% after 10 000 cycles at 1.0 V s -1 ), while the absence of MnO 2 and carbon shells reveals a severe degradation in the specific capacitance and capacitance retention. Because the core-TiO 2 nanoparticles and carbon shell prevent the deformation of the inner and outer sides of the MnO 2 shell, the nanostructures of the TiO 2 @MnO 2 @C are preserved despite the long-term cycling, giving the superior performance. This SGCW-driven fabrication enables the scalable synthesis of multiple-core-shell structures applicable to diverse electrochemical applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Design of Aerosol Particle Coating: Thickness, Texture and Efficiency

    PubMed Central

    Buesser, B.; Pratsinis, S.E.

    2013-01-01

    Core-shell particles preserve the performance (e.g. magnetic, plasmonic or opacifying) of a core material while modifying its surface with a shell that facilitates (e.g. by blocking its reactivity) their incorporation into a host liquid or polymer matrix. Here coating of titania (core) aerosol particles with thin silica shells (films or layers) is investigated at non-isothermal conditions by a trimodal aerosol dynamics model, accounting for SiO2 generation by gas phase and surface oxidation of hexamethyldisiloxane (HMDSO) vapor, coagulation and sintering. After TiO2 particles have reached their final primary particle size (e.g. upon completion of sintering during their flame synthesis), coating starts by uniformly mixing them with HMDSO vapor that is oxidized either in the gas phase or on the particles’ surface resulting in SiO2 aerosols or deposits, respectively. Sintering of SiO2 deposited onto the core TiO2 particles takes place transforming rough into smooth coating shells depending on process conditions. The core-shell characteristics (thickness, texture and efficiency) are calculated for two limiting cases of coating shells: perfectly smooth (e.g. hermetic) and fractal-like. At constant TiO2 core particle production rate, the influence of coating weight fraction, surface oxidation and core particle size on coating shell characteristics is investigated and compared to pertinent experimental data through coating diagrams. With an optimal temperature profile for complete precursor conversion, the TiO2 aerosol and SiO2-precursor (HMDSO) vapor concentrations have the strongest influence on product coating shell characteristics. PMID:23729833

  16. Enhance the photoluminescence and radioluminescence of La2Zr2O7:Eu3+ core nanoparticles by coating with a thin Y2O3 shell

    NASA Astrophysics Data System (ADS)

    Pokhrel, Madhab; Burger, Arnold; Groza, Michael; Mao, Yuanbing

    2017-06-01

    We report the generation of La2Zr2O7:5%Eu3+@Y2O3 (LZO5E@YO) core@shell crystalline inorganic-inorganic heterogeneous nanoparticles (NPs). The Y2O3 (YO) shell coating process based on a chemical sol-gel method led to the growth of a thin YO shell on the ordered pyrochlore La2Zr2O7:5%Eu3+ (LZO5E) core NPs. Photoluminescence (PL) analyses demonstrated a blue shift of 15 nm on charge transfer (CT) excitation band of the core@shell NPs from that of the core NPs. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) along x-ray diffraction (XRD), Fourier-transform Infrared spectroscopy (FTIR) and x-ray photoelectron spectroscopy (XPS) studies confirmed the formation of the thin YO layer over the LZO5E core NPs. The PL intensity of the LZO5E@YO core@shell NPs was enhanced by three fold compared to that of the LZO5E core NPs, and higher quantum yield (QY) was observed for the former compared to the original NPs by more than 70%. Higher radioluminescence (RL) emission was also observed for the core@shell NPs compared to the core NPs. Our ability of obtaining near-perfect core@shell heterostructure with enhanced luminescence performance opens the door for the development of efficient La2Zr2O7:5%Eu3+@Y2O3 NPs for both optical and x-ray scintillation applications.

  17. Synthesis and properties MFe2O4 (M = Fe, Co) nanoparticles and core-shell structures

    NASA Astrophysics Data System (ADS)

    Yelenich, O. V.; Solopan, S. O.; Greneche, J. M.; Belous, A. G.

    2015-08-01

    Individual Fe3-xO4 and CoFe2O4 nanoparticles, as well as Fe3-xO4/CoFe2O4 core/shell structures were synthesized by the method of co-precipitation from diethylene glycol solutions. Core/shell structure were synthesized with CoFe2O4-shell thickness of 1.0, 2.5 and 3.5 nm. X-ray diffraction patterns of individual nanoparticles and core/shell are similar and indicate that all synthesized samples have a cubic spinel structure. Compares Mössbauer studies of CoFe2O4, Fe3-xO4 nanoparticles indicate superparamagnetic properties at 300 K. It was shown that individual magnetite nanoparticles are transformed into maghemite through oxidation during the synthesis procedure, wherein the smallest nanoparticles are completely oxidized while a magnetite core does occur in the case of the largest nanoparticles. The Mössbauer spectra of core/shell nanoparticles with increasing CoFe2O4-shell thickness show a gradual decrease in the relative intensity of the quadrupole doublet and significant decrease of the mean isomer shift value at both RT and 77 K indicating a decrease of the superparamagnetic relaxation phenomena. Specific loss power for the prepared ferrofluids was experimentally calculated and it was determined that under influence of ac-magnetic field magnetic fluid based on individual CoFe2O4 and Fe3-xO4 particles are characterized by very low heating temperature, when magnetic fluids based on core/shell nanoparticles demonstrate higher heating effect.

  18. Mold Flux Crystallization and Mold Thermal Behavior

    NASA Astrophysics Data System (ADS)

    Peterson, Elizabeth Irene

    Mold flux plays a small but critical role in the continuous casting of steel. The carbon-coated powder is added at the top of the water-cooled copper mold, over time it melts and infiltrates the gap between the copper mold and the solidifying steel strand. Mold powders serve five primary functions: (1) chemical insulation, (2) thermal insulation, (3) lubrication between the steel strand and mold, (4) absorption of inclusions, and (5) promotion of even heat flux. All five functions are critical to slab casting, but surface defect prevention is primarily controlled through even heat flux. Glassy fluxes have high heat transfer and result in a thicker steel shell. Steels with large volumetric shrinkage on cooling must have a crystalline flux to reduce the radiative heat transfer and avoid the formation of cracks in the shell. Crystallinity plays a critical role in steel shell formation, therefore it is important to study the thermal conditions that promote each phase and its morphology. Laboratory tests were performed to generate continuous cooling transformation (CCT) and time-temperature-transformation (TTT) diagrams. Continuous cooling transformation tests were performed in an instrumented eight cell step chill mold. Results showed that cuspidine was the only phase formed in conventional fluxes and all observed structures were dendritic. An isothermal tin bath quench method was also developed to isothermally age glassy samples. Isothermal tests yielded different microstructures and different phases than those observed by continuous cooling. Comparison of aged tests with industrial flux films indicates similar faceted structures along the mold wall, suggesting that mold flux first solidifies as a glass along the mold wall, but the elevated temperature devitrifies the glassy structure forming crystals that cannot form by continuous cooling.

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

    Nick Cannell; Adrian S. Sabau

    The investment casting process allows the production of complex-shape parts and close dimensional tolerances. One of the most important phases in the investment casting process is the design of the pattern die. Pattern dies are used to create wax patterns by injecting wax into dies. The first part of the project involved preparation of reports on the state of the art at that time for all the areas under consideration (die-wax, wax-shell, and shell-alloy). The primary R&D focus during Phase I was on the wax material since the least was known about it. The main R&D accomplishments during this phasemore » were determination of procedures for obtaining the thermal conductivity and viscoelastic properties of an unfilled wax and validating those procedures. Phase II focused on die-wax and shell-alloy systems. A wax material model was developed based on results obtained during the previous R&D phase, and a die-wax model was successfully incorporated into and used in commercial computer programs. Current computer simulation programs have complementary features. A viscoelastic module was available in ABAQUS but unavailable in ProCAST, while the mold-filling module was available in ProCAST but unavailable in ABAQUS. Thus, the numerical simulation results were only in good qualitative agreement with experimental results, the predicted shrinkage factors being approximately 2.5 times larger than those measured. Significant progress was made, and results showed that the testing and modeling of wax material had great potential for industrial applications. Additional R&D focus was placed on one shell-alloy system. The fused-silica shell mold and A356 aluminum alloy were considered. The experimental part of the program was conducted at ORNL and commercial foundries, where wax patterns were injected, molds were invested, and alloys were poured. It was very important to obtain accurate temperature data from actual castings, and significant effort was made to obtain temperature profiles in the shell mold. A model for thermal radiation within the shell mold was developed, and the thermal model was successfully validated using ProCAST. Since the fused silica shells had the lowest thermal expansion properties in the industry, the dewaxing phase, including the coupling between wax-shell systems, was neglected. The prefiring of the empty shell mold was considered in the model, and the shell mold was limited to a pure elastic material. The alloy dimensions were obtained from numerical simulations only with coupled shell-alloy systems. The alloy dimensions were in excellent quantitative agreement with experimental data, validating the deformation module. For actual parts, however, the creep properties of the shell molds must also be obtained, modeled, and validated.« less

  20. On the intermolecular vibrational coupling, hydrogen bonding, and librational freedom of water in the hydration shell of mono- and bivalent anions.

    PubMed

    Ahmed, Mohammed; Namboodiri, V; Singh, Ajay K; Mondal, Jahur A

    2014-10-28

    The hydration energy of an ion largely resides within the first few layers of water molecules in its hydration shell. Hence, it is important to understand the transformation of water properties, such as hydrogen-bonding, intermolecular vibrational coupling, and librational freedom in the hydration shell of ions. We investigated these properties in the hydration shell of mono- (Cl(-) and I(-)) and bivalent (SO4(2-) and CO3(2-)) anions by using Raman multivariate curve resolution (Raman-MCR) spectroscopy in the OH stretch, HOH bend, and [bend+librational] combination bands of water. Raman-MCR of aqueous Na-salt (NaCl, NaI, Na2SO4, and Na2CO3) solutions provides ion-correlated spectra (IC-spectrum) which predominantly bear the vibrational characteristics of water in the hydration shell of respective anions. Comparison of these IC-spectra with the Raman spectrum of bulk water in different spectral regions reveals that the water is vibrationally decoupled with its neighbors in the hydration shell. Hydrogen-bond strength and librational freedom also vary with the nature of anion: hydrogen-bond strength, for example, decreases as CO3(2-) > SO4(2-) > bulk water ≈ Cl(-) > I(-); and the librational freedom increases as CO3(2-) ≈ SO4(2-) < bulk water < Cl(-) < I(-). It is believed that these structural perturbations influence the dynamics of coherent energy transfer and librational reorientation of water in the hydration shell of anions.

  1. Fast synthesis, formation mechanism, and control of shell thickness of CuS–polystyrene core–shell microspheres

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

    Zhao, Li-min, E-mail: zhaolimin@lcu.ecu.cn; Shao, Xin; Yin, Yi-bin

    2012-09-15

    Graphical abstract: Core–shell structure PSt/CuS were prepared using polystyrene which were modified by 3-methacryloxypropyltrimethoxysilane as template. The coating thickness of CuS can be controlled by the amount of 3-methacryloxypropyltrimethoxysilane and the UV–vis absorption intensity of PSt/CuS composite also changed with the coating thickness of CuS. Highlights: ► Core–shell structure PSt/CuS were prepared using silanol-modified polystyrene microspheres as template. ► The coating thickness of core–shell structure PSt/CuS can be controlled by a simple method. ► The UV–vis absorption intensity of PSt/CuS composite also changed with the coating thickness of CuS. -- Abstract: The silanol-modified polystyrene microspheres were prepared through dispersion polymerization.more » Then copper sulfide particles were grown on silanol-modified polystyrene through sonochemical deposition in an aqueous bath containing copper acetate and sulfide, released through the hydrolysis of thioacetamide. The resulting particles were continuous and uniform as characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Fourier transform infrared, thermogravimetric analysis and UV–vis absorption spectroscopy were used to characterize the structure and properties of core–shell particles. The results showed the coating thickness of CuS shell can be controlled by the amount of silanol and the UV–vis absorption intensity of PSt/CuS composite also changed with the coating thickness of CuS.« less

  2. Determination for the Entrapment Criterion of Non-metallic Inclusions by the Solidification Front During Steel Centrifugal Continuous Casting

    NASA Astrophysics Data System (ADS)

    Wang, Qiangqiang; Zhang, Lifeng

    2016-06-01

    In the current study, the three-dimensional fluid flow, heat transfer, and solidification in steel centrifugal continuous casting strands were simulated. The volume of fluid model was used to solve the multiphase phenomena between the molten steel and the air. The entrapment and final distribution of inclusions in the solidified shell were studied with the discussion on the effect of rotation behavior of the caster system. Main results indicate that after applying the rotation of the shell, the fluid flow transformed from a recirculation flow to a rotation flow in the mold region and was driven to flow around in the casting direction. As the distance below the meniscus increased, the distribution of the tangential speed of the flow and the centrifugal force along one diameter of the strand became symmetrical gradually. The jet flow from the nozzle hardly impinged on the same location on the shell due to the rotation of the shell during solidification. Thus, the shell thickness on the same height was uniform around, and the thinning shell and a hot spot on the surface of shell were avoided. Both of the measurement and the calculation about the distribution of oxide inclusions along the radial direction indicated the number of inclusions at the side and the center was more than that at the quarter on the cross section of billet. With a larger diameter, inclusions tended to be entrapped toward the center area of the billet.

  3. N3LO NN interaction adjusted to light nuclei in ab exitu approach

    DOE PAGES

    Shirokov, A. M.; Shin, I. J.; Kim, Y.; ...

    2016-08-09

    Here, we use phase-equivalent transformations to adjust off-shell properties of similarity renormalization group evolved chiral effective field theory NN interaction (Idaho N3LO) to fit selected binding energies and spectra of light nuclei in an ab exitu approach. Then, we test the transformed interaction on a set of additional observables in light nuclei to verify that it provides reasonable descriptions of these observables with an apparent reduced need for three- and many-nucleon interactions.

  4. Yang-Mills gauge conditions from Witten's open string field theory

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

    Feng Haidong; Siegel, Warren

    2007-02-15

    We construct the Zinn-Justin-Batalin-Vilkovisky action for tachyons and gauge bosons from Witten's 3-string vertex of the bosonic open string without gauge fixing. Through canonical transformations, we find the off-shell, local, gauge-covariant action up to 3-point terms, satisfying the usual field theory gauge transformations. Perturbatively, it can be extended to higher-point terms. It also gives a new gauge condition in field theory which corresponds to the Feynman-Siegel gauge on the world-sheet.

  5. Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis

    NASA Astrophysics Data System (ADS)

    Stevanović, Vladan; Trottier, Ryan; Musgrave, Charles; Therrien, Félix; Holder, Aaron; Graf, Peter

    2018-03-01

    To extend materials design and discovery into the space of metastable polymorphs, rapid and reliable assessment of transformation kinetics to lower energy structures is essential. Herein we focus on diffusionless polymorphic transformations and investigate routes to assess their kinetics using solely crystallographic arguments. As part of this investigation we developed a general algorithm to map crystal structures onto each other, and ascertain the low-energy (fast-kinetics) transformation pathways between them. Pathways with minimal dissociation of chemical bonds, along which the number of bonds (in ionic systems the first-shell coordination) does not decrease below that in the end structures, are shown to always be the fast-kinetics pathways. These findings enable the rapid assessment of the kinetics of polymorphic transformation and the identification of long-lived metastable structures. The utility is demonstrated on a number of transformations including those between high-pressure SnO2 phases, which lack a detailed atomic-level understanding.

  6. Predictable Particle Engineering: Programming the Energy Level, Carrier Generation, and Conductivity of Core-Shell Particles.

    PubMed

    Yuan, Conghui; Wu, Tong; Mao, Jie; Chen, Ting; Li, Yuntong; Li, Min; Xu, Yiting; Zeng, Birong; Luo, Weiang; Yu, Lingke; Zheng, Gaofeng; Dai, Lizong

    2018-06-20

    Core-shell structures are of particular interest in the development of advanced composite materials as they can efficiently bring different components together at nanoscale. The advantage of this structure greatly relies on the crucial design of both core and shell, thus achieving an intercomponent synergistic effect. In this report, we show that decorating semiconductor nanocrystals with a boronate polymer shell can easily achieve programmable core-shell interactions. Taking ZnO and anatase TiO 2 nanocrystals as inner core examples, the effective core-shell interactions can narrow the band gap of semiconductor nanocrystals, change the HOMO and LUMO levels of boronate polymer shell, and significantly improve the carrier density of core-shell particles. The hole mobility of core-shell particles can be improved by almost 9 orders of magnitude in comparison with net boronate polymer, while the conductivity of core-shell particles is at most 30-fold of nanocrystals. The particle engineering strategy is based on two driving forces: catechol-surface binding and B-N dative bonding and having a high ability to control and predict the shell thickness. Also, this approach is applicable to various inorganic nanoparticles with different components, sizes, and shapes.

  7. Induced Hyperon-Nucleon-Nucleon Interactions and the Hyperon Puzzle.

    PubMed

    Wirth, Roland; Roth, Robert

    2016-10-28

    We present the first ab initio calculations for p-shell hypernuclei including hyperon-nucleon-nucleon (YNN) contributions induced by a similarity renormalization group transformation of the initial hyperon-nucleon interaction. The transformation including the YNN terms conserves the spectrum of the Hamiltonian while drastically improving model-space convergence of the importance-truncated no-core model, allowing a precise extraction of binding and excitation energies. Results using a hyperon-nucleon interaction at leading order in chiral effective field theory for lower- to mid-p-shell hypernuclei show a good reproduction of experimental excitation energies while hyperon separation energies are typically overestimated. The induced YNN contributions are strongly repulsive and we show that they are related to a decoupling of the Σ hyperons from the hypernuclear system, i.e., a suppression of the Λ-Σ conversion terms in the Hamiltonian. This is linked to the so-called hyperon puzzle in neutron-star physics and provides a basic mechanism for the explanation of strong ΛNN three-baryon forces.

  8. Pressure-induced structural change in liquid GaIn eutectic alloy.

    PubMed

    Yu, Q; Ahmad, A S; Ståhl, K; Wang, X D; Su, Y; Glazyrin, K; Liermann, H P; Franz, H; Cao, Q P; Zhang, D X; Jiang, J Z

    2017-04-25

    Synchrotron x-ray diffraction reveals a pressure induced crystallization at about 3.4 GPa and a polymorphic transition near 10.3 GPa when compressed a liquid GaIn eutectic alloy up to ~13 GPa at room temperature in a diamond anvil cell. Upon decompression, the high pressure crystalline phase remains almost unchanged until it transforms to the liquid state at around 2.3 GPa. The ab initio molecular dynamics calculations can reproduce the low pressure crystallization and give some hints on the understanding of the transition between the liquid and the crystalline phase on the atomic level. The calculated pair correlation function g(r) shows a non-uniform contraction reflected by the different compressibility between the short (1st shell) and the intermediate (2nd to 4th shells). It is concluded that the pressure-induced liquid-crystalline phase transformation likely arises from the changes in local atomic packing of the nearest neighbors as well as electronic structures at the transition pressure.

  9. Shape Transformations of Epithelial Shells

    PubMed Central

    Misra, Mahim; Audoly, Basile; Kevrekidis, Ioannis G.; Shvartsman, Stanislav Y.

    2016-01-01

    Regulated deformations of epithelial sheets are frequently foreshadowed by patterning of their mechanical properties. The connection between patterns of cell properties and the emerging tissue deformations is studied in multiple experimental systems, but the general principles remain poorly understood. For instance, it is in general unclear what determines the direction in which the patterned sheet is going to bend and whether the resulting shape transformation will be discontinuous or smooth. Here these questions are explored computationally, using vertex models of epithelial shells assembled from prismlike cells. In response to rings and patches of apical cell contractility, model epithelia smoothly deform into invaginated or evaginated shapes similar to those observed in embryos and tissue organoids. Most of the observed effects can be captured by a simpler model with polygonal cells, modified to include the effects of the apicobasal polarity and natural curvature of epithelia. Our models can be readily extended to include the effects of multiple constraints and used to describe a wide range of morphogenetic processes. PMID:27074691

  10. High Pressure Phase Transformations in Heavy Rare Earth Metals and Connections to Actinide Crystal Structures

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

    Vohra, Yogesh K.; Sangala, Bagvanth Reddy; Stemshorn, Andrew K.

    2008-07-01

    High-pressure studies have been performed on heavy rare earth metals Terbium (Tb) to 155 GPa and Holmium (Ho) to 134 GPa in a diamond anvil cell at room temperature. The following crystal structure sequence was observed in both metals hcp {yields} Sm-type {yields} dhcp {yields} distorted fcc (hR-24) {yields} monoclinic (C2/m) with increasing pressure. The last transformation to a low symmetry monoclinic phase is accompanied by a volume collapse of 5 % for Tb at 51 GPa and a volume collapse of 3 % for Ho at 103 GPa. This volume collapse under high pressure is reminiscent of f-shell delocalizationmore » in light rare earth metal Cerium (Ce), Praseodymium (Pr), and heavy actinide metals Americium (Am) and Curium (Cm). The orthorhombic Pnma phase that has been reported in Am and Cm after f-shell delocalization is not observed in heavy rare earth metals under high pressures. (authors)« less

  11. Double Shell Tank AY-102 Radioactive Waste Leak Investigation

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

    Washenfelder, Dennis J.

    2014-04-10

    PowerPoint. The objectives of this presentation are to: Describe Effort to Determine Whether Tank AY-102 Leaked; Review Probable Causes of the Tank AY-102 Leak; and, Discuss Influence of Leak on Hanford’s Double-Shell Tank Integrity Program.

  12. Geometrically controlled snapping transitions in shells with curved creases.

    PubMed

    Bende, Nakul Prabhakar; Evans, Arthur A; Innes-Gold, Sarah; Marin, Luis A; Cohen, Itai; Hayward, Ryan C; Santangelo, Christian D

    2015-09-08

    Curvature and mechanics are intimately connected for thin materials, and this coupling between geometry and physical properties is readily seen in folded structures from intestinal villi and pollen grains to wrinkled membranes and programmable metamaterials. While the well-known rules and mechanisms behind folding a flat surface have been used to create deployable structures and shape transformable materials, folding of curved shells is still not fundamentally understood. Shells naturally deform by simultaneously bending and stretching, and while this coupling gives them great stability for engineering applications, it makes folding a surface of arbitrary curvature a nontrivial task. Here we discuss the geometry of folding a creased shell, and demonstrate theoretically the conditions under which it may fold smoothly. When these conditions are violated we show, using experiments and simulations, that shells undergo rapid snapping motion to fold from one stable configuration to another. Although material asymmetry is a proven mechanism for creating this bifurcation of stability, for the case of a creased shell, the inherent geometry itself serves as a barrier to folding. We discuss here how two fundamental geometric concepts, creases and curvature, combine to allow rapid transitions from one stable state to another. Independent of material system and length scale, the design rule that we introduce here explains how to generate snapping transitions in arbitrary surfaces, thus facilitating the creation of programmable multistable materials with fast actuation capabilities.

  13. 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.

  14. Porous HKUST-1 derived CuO/Cu2O shell wrapped Cu(OH)2 derived CuO/Cu2O core nanowire arrays for electrochemical nonenzymatic glucose sensors with ultrahigh sensitivity

    NASA Astrophysics Data System (ADS)

    Yu, Cuiping; Cui, Jiewu; Wang, Yan; Zheng, Hongmei; Zhang, Jianfang; Shu, Xia; Liu, Jiaqin; Zhang, Yong; Wu, Yucheng

    2018-05-01

    Self-supported CuO/Cu2O@CuO/Cu2O core-shell nanowire arrays (NWAs) are successfully fabricated by a simple and efficient method in this paper. Anodized Cu(OH)2 NWAs could in-situ convert to HKUST-1 at room temperature easily. Cu(OH)2 NWAs cores and HKUST-1 shells transform into CuO/Cu2O simultaneously after calcinations and form CuO/Cu2O@CuO/Cu2O core-shell NWAs. This smart configuration of the core-shell structure not only avoids the agglomeration of the traditional MOF-derived materials in particle-shape, but also facilitates the ion diffusion and increases the active sites. This novel structure is employed as substrate to construct nonenzymatic glucose sensors. The results indicate that glucose sensor based on CuO/Cu2O@CuO/Cu2O core-shell NWAs presents ultrahigh sensitivity (10,090 μA mM-1 cm-2), low detection limit (0.48 μM) and wide linear range (0.99-1,330 μM). In addition, it also shows excellent anti-interference ability toward uric acid, ascorbic acid and L-Cysteine co-existing with glucose, good reproducibility and superior ability of real sample analysis.

  15. In-medium similarity renormalization group for closed and open-shell nuclei

    NASA Astrophysics Data System (ADS)

    Hergert, H.

    2017-02-01

    We present a pedagogical introduction to the in-medium similarity renormalization group (IMSRG) framework for ab initio calculations of nuclei. The IMSRG performs continuous unitary transformations of the nuclear many-body Hamiltonian in second-quantized form, which can be implemented with polynomial computational effort. Through suitably chosen generators, it is possible to extract eigenvalues of the Hamiltonian in a given nucleus, or drive the Hamiltonian matrix in configuration space to specific structures, e.g., band- or block-diagonal form. Exploiting this flexibility, we describe two complementary approaches for the description of closed- and open-shell nuclei: the first is the multireference IMSRG (MR-IMSRG), which is designed for the efficient calculation of nuclear ground-state properties. The second is the derivation of non-empirical valence-space interactions that can be used as input for nuclear shell model (i.e., configuration interaction (CI)) calculations. This IMSRG+shell model approach provides immediate access to excitation spectra, transitions, etc, but is limited in applicability by the factorial cost of the CI calculations. We review applications of the MR-IMSRG and IMSRG+shell model approaches to the calculation of ground-state properties for the oxygen, calcium, and nickel isotopic chains or the spectroscopy of nuclei in the lower sd shell, respectively, and present selected new results, e.g., for the ground- and excited state properties of neon isotopes.

  16. New Approach to Create TiO2(B)/Carbon Core/Shell Nanotubes: Ideal Structure for Enhanced Lithium Ion Storage.

    PubMed

    Zhu, Xiaoyi; Yang, Xianfeng; Lv, Chunxiao; Guo, Shaojun; Li, Jianjiang; Zheng, Zhanfeng; Zhu, Huaiyong; Yang, Dongjiang

    2016-07-27

    To achieve uniform carbon coating on TiO2 nanomaterials, high temperature (>500 °C) annealing treatment is a necessity. However, the annealing treatment inevitably leads to the strong phase transformation from TiO2(B) with high lithium ion storage (LIS) capacity to anatase with low LIS one as well as the damage of nanostructures. Herein, we demonstrate a new approach to create TiO2(B)/carbon core/shell nanotubes (C@TBNTs) using a long-chain silane polymethylhydrosiloxane (PMHS) to bind the TBNTs by forming Si-O-Ti bonds. The key feature of this work is that the introduction of PMHS onto TBNTs can afford TBNTs with very high thermal stability at higher than 700 °C and inhibit the phase transformation from TiO2(B) to anatase. Such a high thermal property of PMHS-TBNTs makes them easily coated with highly graphitic carbon shell via CVD process at 700 °C. The as-prepared C@TBNTs deliver outstanding rate capability and electrochemical stability, i.e., reversible capacity above 250 mAh g(-1) at 10 C and a high specific capacity of 479.2 mAh g(-1) after 1000 cycles at 1 C. As far as we know, the LIS performance of our sample is the highest among the previously reported TiO2(B) anode materials.

  17. Design and Synthesis of Spherical Multicomponent Aggregates Composed of Core-Shell, Yolk-Shell, and Hollow Nanospheres and Their Lithium-Ion Storage Performances.

    PubMed

    Park, Gi Dae; Kang, Yun Chan

    2018-03-01

    Micrometer-sized spherical aggregates of Sn and Co components containing core-shell, yolk-shell, hollow nanospheres are synthesized by applying nanoscale Kirkendall diffusion in the large-scale spray drying process. The Sn 2 Co 3 -Co 3 SnC 0.7 -C composite microspheres uniformly dispersed with Sn 2 Co 3 -Co 3 SnC 0.7 mixed nanocrystals are formed by the first-step reduction of spray-dried precursor powders at 900 °C. The second-step oxidation process transforms the Sn 2 Co 3 -Co 3 SnC 0.7 -C composite into the porous microsphere composed of Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 core-shell, Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 yolk-shell, and CoSnO 3 -Co 3 O 4 hollow nanospheres at 300, 400, and 500 °C, respectively. The discharge capacity of the microspheres with Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 core-shell, Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 yolk-shell, and CoSnO 3 -Co 3 O 4 hollow nanospheres for the 200 th cycle at a current density of 1 A g -1 is 1265, 987, and 569 mA h g -1 , respectively. The ultrafine primary nanoparticles with a core-shell structure improve the structural stability of the porous-structured microspheres during repeated lithium insertion and desertion processes. The porous Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 microspheres with core-shell primary nanoparticles show excellent cycling and rate performances as anode materials for lithium-ion batteries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Non-linear analysis of wave progagation using transform methods and plates and shells using integral equations

    NASA Astrophysics Data System (ADS)

    Pipkins, Daniel Scott

    Two diverse topics of relevance in modern computational mechanics are treated. The first involves the modeling of linear and non-linear wave propagation in flexible, lattice structures. The technique used combines the Laplace Transform with the Finite Element Method (FEM). The procedure is to transform the governing differential equations and boundary conditions into the transform domain where the FEM formulation is carried out. For linear problems, the transformed differential equations can be solved exactly, hence the method is exact. As a result, each member of the lattice structure is modeled using only one element. In the non-linear problem, the method is no longer exact. The approximation introduced is a spatial discretization of the transformed non-linear terms. The non-linear terms are represented in the transform domain by making use of the complex convolution theorem. A weak formulation of the resulting transformed non-linear equations yields a set of element level matrix equations. The trial and test functions used in the weak formulation correspond to the exact solution of the linear part of the transformed governing differential equation. Numerical results are presented for both linear and non-linear systems. The linear systems modeled are longitudinal and torsional rods and Bernoulli-Euler and Timoshenko beams. For non-linear systems, a viscoelastic rod and Von Karman type beam are modeled. The second topic is the analysis of plates and shallow shells under-going finite deflections by the Field/Boundary Element Method. Numerical results are presented for two plate problems. The first is the bifurcation problem associated with a square plate having free boundaries which is loaded by four, self equilibrating corner forces. The results are compared to two existing numerical solutions of the problem which differ substantially.

  19. Photogenerated carriers transport behaviors in L-cysteine capped ZnSe core-shell quantum dots

    NASA Astrophysics Data System (ADS)

    Shan, Qingsong; Li, Kuiying; Xue, Zhenjie; Lin, Yingying; Yin, Hua; Zhu, Ruiping

    2016-02-01

    The photoexcited carrier transport behavior of zinc selenide (ZnSe) quantum dots (QDs) with core-shell structure is studied because of their unique photoelectronic characteristics. The surface photovoltaic (SPV) properties of self-assembled ZnSe/ZnS/L-Cys core-shell QDs were probed via electric field induced surface photovoltage and transient photovoltage (TPV) measurements supplemented by Fourier transform infrared, laser Raman, absorption, and photoluminescence spectroscopies. The ZnSe QDs displayed p-type SPV characteristics with a broader stronger SPV response over the whole ultraviolet-to-near-infrared range compared with those of other core-shell QDs in the same group. The relationship between the SPV phase value of the QDs and external bias was revealed in their SPV phase spectrum. The wide transient photovoltage response region from 3.3 × 10-8 to 2 × 10-3 s was closely related to the long diffusion distance of photoexcited free charge carriers in the interfacial space-charge region of the QDs. The strong SPV response corresponding to the ZnSe core mainly originated from an obvious quantum tunneling effect in the QDs.

  20. Synthesis of Au@polymer nanohybrids with transited core-shell morphology from concentric to eccentric Emoji-N or Janus nanoparticles.

    PubMed

    Guarrotxena, Nekane; García, Olga; Quijada-Garrido, Isabel

    2018-04-10

    The combination of multifunctionality and synergestic effect displayed by hybrid nanoparticles (NPs) has been revealed as an effective stratagem in the development of advanced nanostructures with unique biotechnology and optoelectronic applications. Although important work has been devoted, the demand of facile, versatile and efficient synthetic approach remains still challenging. Herein, we report a feasible and innovative way for polymer-shell assembling onto gold nanoparticles in competitive conditions of hydrophobic/hydrophilic feature and interfacial energy of components to generate core-shell nanohybrids with singular morphologies. The fine control of reaction parameters allows a modulated transformation from concentric to eccentric nanostructure-geometries. In this regard, a rational selection of the components and solvent ratio guarantee the reproducibility and efficiency on hybrid-nanoassembly. Furthermore, the simplicity of the synthetic approach offers the possibility to obtain asymmetric Janus NPs and new morphologies (quizzical-aspheric polymer-shell, named Emoji-N-hybrids) with adjustable surface-coating, leading to new properties and applications that are unavailable to their symmetrical or single components.

  1. Hydrazine-Assisted Formation of Indium Phosphide (InP)-Based Nanowires and Core-Shell Composites

    PubMed Central

    Patzke, Greta R.; Kontic, Roman; Shiolashvili, Zeinab; Makhatadze, Nino; Jishiashvili, David

    2012-01-01

    Indium phosphide nanowires (InP NWs) are accessible at 440 °C from a novel vapor phase deposition approach from crystalline InP sources in hydrazine atmospheres containing 3 mol % H2O. Uniform zinc blende (ZB) InP NWs with diameters around 20 nm and lengths up to several tens of micrometers are preferably deposited on Si substrates. InP particle sizes further increase with the deposition temperature. The straightforward protocol was extended on the one-step formation of new core-shell InP–Ga NWs from mixed InP/Ga source materials. Composite nanocables with diameters below 20 nm and shells of amorphous gallium oxide are obtained at low deposition temperatures around 350 °C. Furthermore, InP/Zn sources afford InP NWs with amorphous Zn/P/O-coatings at slightly higher temperatures (400 °C) from analogous setups. At 450 °C, the smooth outer layer of InP-Zn NWs is transformed into bead-shaped coatings. The novel combinations of the key semiconductor InP with isotropic insulator shell materials open up interesting application perspectives in nanoelectronics. PMID:28809296

  2. Amorphous Calcium Carbonate Precipitation by Cellular Biomineralization in Mantle Cell Cultures of Pinctada fucata

    PubMed Central

    Xiang, Liang; Kong, Wei; Su, Jingtan; Liang, Jian; Zhang, Guiyou; Xie, Liping; Zhang, Rongqing

    2014-01-01

    The growth of molluscan shell crystals is generally thought to be initiated from the extrapallial fluid by matrix proteins, however, the cellular mechanisms of shell formation pathway remain unknown. Here, we first report amorphous calcium carbonate (ACC) precipitation by cellular biomineralization in primary mantle cell cultures of Pinctada fucata. Through real-time PCR and western blot analyses, we demonstrate that mantle cells retain the ability to synthesize and secrete ACCBP, Pif80 and nacrein in vitro. In addition, the cells also maintained high levels of alkaline phosphatase and carbonic anhydrase activity, enzymes responsible for shell formation. On the basis of polarized light microscopy and scanning electron microscopy, we observed intracellular crystals production by mantle cells in vitro. Fourier transform infrared spectroscopy and X-ray diffraction analyses revealed the crystals to be ACC, and de novo biomineralization was confirmed by following the incorporation of Sr into calcium carbonate. Our results demonstrate the ability of mantle cells to perform fundamental biomineralization processes via amorphous calcium carbonate, and these cells may be directly involved in pearl oyster shell formation. PMID:25405357

  3. Hydrazine-Assisted Formation of Indium Phosphide (InP)-Based Nanowires and Core-Shell Composites.

    PubMed

    Patzke, Greta R; Kontic, Roman; Shiolashvili, Zeinab; Makhatadze, Nino; Jishiashvili, David

    2012-12-27

    Indium phosphide nanowires (InP NWs) are accessible at 440 °C from a novel vapor phase deposition approach from crystalline InP sources in hydrazine atmospheres containing 3 mol % H₂O. Uniform zinc blende (ZB) InP NWs with diameters around 20 nm and lengths up to several tens of micrometers are preferably deposited on Si substrates. InP particle sizes further increase with the deposition temperature. The straightforward protocol was extended on the one-step formation of new core-shell InP-Ga NWs from mixed InP/Ga source materials. Composite nanocables with diameters below 20 nm and shells of amorphous gallium oxide are obtained at low deposition temperatures around 350 °C. Furthermore, InP/Zn sources afford InP NWs with amorphous Zn/P/O-coatings at slightly higher temperatures (400 °C) from analogous setups. At 450 °C, the smooth outer layer of InP-Zn NWs is transformed into bead-shaped coatings. The novel combinations of the key semiconductor InP with isotropic insulator shell materials open up interesting application perspectives in nanoelectronics.

  4. Hexakis(3,6-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)cyclohexane: Closed-shell [6]Radialene or Open-shell Hexa-radicaloid?

    PubMed

    Wu, Jishan; Feng, Jiaqi; Gopalakrishna, Tullimilli Y; Phan, Hoa

    2018-04-19

    We report a star-shaped hexaquinocyclohexane molecule 4c, which turns out to be a closed-shell extended [6]radialene with a twisted-boat conformation according to X-ray crystallographic analysis. It was formed by an unusually slow decay of its in situ generated open-shell valence isomer, the hexa-radicaloid 4o, with a half-life time of about 156 min at room temperature. Reaction progress kinetic analysis revealed a large energy barrier of about 95.5 ± 4.3 kJ/mol at room temperature from the hexa-radical form 4o to the contorted [6]radialene form 4c, because the transformation need overcome large steric repulsion between the neighbouring phenoxyl units. Compound 4c can be chemically reduced to radical anion and dianion, and the dianion is actually a diradical dianion, with a calculated diradical character of 71.9%. This study demonstrated the unique chemical bonding nature of contorted quinoidal π-conjugated molecules and a very unusual valence isomerization process. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Experimental investigation of the influence of internal frames on the vibroacoustic behavior of a stiffened cylindrical shell using wavenumber analysis

    NASA Astrophysics Data System (ADS)

    Meyer, V.; Maxit, L.; Renou, Y.; Audoly, C.

    2017-09-01

    The understanding of the influence of non-axisymmetric internal frames on the vibroacoustic behavior of a stiffened cylindrical shell is of high interest for the naval or aeronautic industries. Several numerical studies have shown that the non-axisymmetric internal frame can increase the radiation efficiency significantly in the case of a mechanical point force. However, less attention has been paid to the experimental verification of this statement. That is why this paper proposes to compare the radiation efficiency estimated experimentally for a stiffened cylindrical shell with and without internal frames. The experimental process is based on scanning laser vibrometer measurements of the vibrations on the surface of the shell. A transform of the vibratory field in the wavenumber domain is then performed. It allows estimating the far-field radiated pressure with the stationary phase theorem. An increase of the radiation efficiency is observed in the low frequencies. Analysis of the velocity field in the physical and wavenumber spaces allows highlighting the coupling of the circumferential orders at the origin of the increase in the radiation efficiency.

  6. Influence of corneal thickness on the intraocular pressure readings for Maklakoff's tonometer of different weight

    NASA Astrophysics Data System (ADS)

    Franus, D. V.

    2018-05-01

    Research is conducted into variation in the stress-strain state of the corneoscleral shell of the human eye under loading by a flat base stamp of varying weight. A three-dimensional finite-element model of the contact problem of loading of the corneoscleral shell in the ANSYS program package is presented. Cornea and sclera are modeled as conjugated transversely isotropic spherical shells. The cornea is modeled as a multilayer shell with variable thickness in which all modeled layers have their own individual elastic properties. The research deals with the numerical calculation of the diameter of the contact zone between the shell and the stamp. Values of correction coefficients for intraocular pressure are obtained depending on the thickness of the corneal shell in its center, allowing the true intraocular pressure to be determined more accurately.

  7. GAUSSIAN 76: An ab initio Molecular Orbital Program

    DOE R&D Accomplishments Database

    Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

    1978-01-01

    Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

  8. Introduction to Python for CMF Authority Users

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

    Pritchett-Sheats, Lori A.

    This talk is a very broad over view of Python that highlights key features in the language used in the Common Model Framework (CMF). I assume that the audience has some programming experience in a shell scripting language (C shell, Bash, PERL) or other high level language (C/C++/ Fortran). The talk will cover Python data types, classes (objects) and basic programming constructs. The talk concludes with slides describing how I developed the basic classes for a TITANS homework assignment.

  9. Development of pressure containment and damage tolerance technology for composite fuselage structures in large transport aircraft

    NASA Technical Reports Server (NTRS)

    Smith, P. J.; Thomson, L. W.; Wilson, R. D.

    1986-01-01

    NASA sponsored composites research and development programs were set in place to develop the critical engineering technologies in large transport aircraft structures. This NASA-Boeing program focused on the critical issues of damage tolerance and pressure containment generic to the fuselage structure of large pressurized aircraft. Skin-stringer and honeycomb sandwich composite fuselage shell designs were evaluated to resolve these issues. Analyses were developed to model the structural response of the fuselage shell designs, and a development test program evaluated the selected design configurations to appropriate load conditions.

  10. Generalized Stone-Wales transformation as the possible origin of ferromagnetism in polymeric C60: a density-functional theory study.

    PubMed

    Ribas-Ariño, J; Novoa, Juan J

    2006-11-07

    Recently, there has been a proposal [Y.-H. Kim et al., Phys. Rev. B 68, 125420 (2003)] suggesting that ferromagnetic interactions in compressed and heated polymeric-C(60) solids could be due to the existence of triplet open cages resulting from successive generalized Stone-Wales transformations within the C(60) cage. Here, by performing B3LYP3-21G and B3LYP6-31G(d) optimizations, we carried out a systematic investigation of the thermodynamics and kinetics of the mechanism of generation of these open cages in their closed-shell singlet, open-shell singlet, and triplet states. We also computed the magnetic interactions induced by the open cages presenting a triplet ground state. Our results indicate that this mechanism is not appropriate to explain the ferromagnetism found in compressed and heated polymeric C(60) for the following reasons: (a) the formation of the only open cage presenting a triplet ground state requires overpassing a highest energy point of 318 kcal/mol, well above other competitive mechanisms reported in the literature; the triplet open cages formed are not stable against their transformation into a diamagnetic intermediate; (c) the magnetic interactions between two adjacent triplet open cages are antiferromagnetic.

  11. Synthesis of fly ash based core-shell composites for use as functional pigment in paints

    NASA Astrophysics Data System (ADS)

    Sharma, Richa; Tiwari, Sangeeta

    2016-04-01

    Fly ash is a combustion residue, mainly composed of silica, alumina and iron oxides. It is produced by the power industries in very large amounts and usually disposed in landfills, which have represented an environmental problem in recent years1. The need to generate a market for fly ash consumption is the main reason why alternative applications have been studied. It has been applied as an additive in construction materials like cement and pavements2. The present work describes the synthesis of Flyash-Titania core-shell particles by precipitation technique using Titanium tetra isopropoxide (TTIP) which can be used for variety of applications such as NIR reflecting materials for cool coatings, Photocatalysis etc. In this work, Fly ash is used in core and Nano -TiO2 is coated as shell on it. Surfactants are used to improve the adhesion of Nano Titania shell on fly ash core. Effect on adhesion of TiO2 on Fly ash is studied by using different types of surfactant. The preparation of core shells was carried out in absence of surfactant as well as using anionic and non-ionic surfactants. The percentage of surfactant was varied to study the effect of amount of surfactant on the uniformity and size of particles in the shell using Kubelka-Munk transformed reflectance spectra. The morphology of core shell structures was studied using SEM technique. Use of anionic surfactant results in more uniform coating with reduced particle size of the shell material. The composite particles prepared by using anionic surfactant are having good pigment properties and also shows good reflectance in Near Infrared region and hence can be used as a pigment in cool coatings.

  12. Equation of state of dark energy in f (R ) gravity

    NASA Astrophysics Data System (ADS)

    Takahashi, Kazufumi; Yokoyama, Jun'ichi

    2015-04-01

    f (R ) gravity is one of the simplest generalizations of general relativity, which may explain the accelerated cosmic expansion without introducing a cosmological constant. Transformed into the Einstein frame, a new scalar degree of freedom appears and it couples with matter fields. In order for f (R ) theories to pass the local tests of general relativity, it has been known that the chameleon mechanism with a so-called thin-shell solution must operate. If the thin-shell constraint is applied to a cosmological situation, it has been claimed that the equation-of-state parameter of dark energy w must be extremely close to -1 . We argue this is due to the incorrect use of the Poisson equation, which is valid only in the static case. By solving the correct Klein-Gordon equation perturbatively, we show that a thin-shell solution exists even if w deviates appreciably from -1 .

  13. The derivative-free Fourier shell identity for photoacoustics.

    PubMed

    Baddour, Natalie

    2016-01-01

    In X-ray tomography, the Fourier slice theorem provides a relationship between the Fourier components of the object being imaged and the measured projection data. The Fourier slice theorem is the basis for X-ray Fourier-based tomographic inversion techniques. A similar relationship, referred to as the 'Fourier shell identity' has been previously derived for photoacoustic applications. However, this identity relates the pressure wavefield data function and its normal derivative measured on an arbitrary enclosing aperture to the three-dimensional Fourier transform of the enclosed object evaluated on a sphere. Since the normal derivative of pressure is not normally measured, the applicability of the formulation is limited in this form. In this paper, alternative derivations of the Fourier shell identity in 1D, 2D polar and 3D spherical polar coordinates are presented. The presented formulations do not require the normal derivative of pressure, thereby lending the formulas directly adaptable for Fourier based absorber reconstructions.

  14. Magnetic core/shell nanoparticle thin films deposited by MAPLE: Investigation by chemical, morphological and in vitro biological assays

    NASA Astrophysics Data System (ADS)

    Cristescu, R.; Popescu, C.; Socol, G.; Iordache, I.; Mihailescu, I. N.; Mihaiescu, D. E.; Grumezescu, A. M.; Balan, A.; Stamatin, I.; Chifiriuc, C.; Bleotu, C.; Saviuc, C.; Popa, M.; Chrisey, D. B.

    2012-09-01

    We report on thin film deposition of nanostructured Fe3O4/oleic acid/ceftriaxone and Fe3O4/oleic acid/cefepime nanoparticles (core/shell/adsorption-shell) were fabricated by matrix assisted pulsed laser evaporation (MAPLE) onto inert substrates. The thin films were characterized by profilometry, Fourier transform infrared spectroscopy, atomic force microscopy, and investigated by in vitro biological assays. The biological properties tested included the investigation of the microbial viability and the microbial adherence to the glass coverslip nanoparticle film, using Gram-negative and Gram-positive bacterial strains with known antibiotic susceptibility behavior, the microbial adherence to the HeLa cells monolayer grown on the nanoparticle pellicle, and the cytotoxicity on eukaryotic cells. The proposed system, based on MAPLE, could be used for the development of novel anti-microbial materials or strategies for fighting pathogenic biofilms frequently implicated in the etiology of biofilm associated chronic infections.

  15. Nanoscale Transforming Mineral Phases in Fresh Nacre.

    PubMed

    DeVol, Ross T; Sun, Chang-Yu; Marcus, Matthew A; Coppersmith, Susan N; Myneni, Satish C B; Gilbert, Pupa U P A

    2015-10-21

    Nacre, or mother-of-pearl, the iridescent inner layer of many mollusk shells, is a biomineral lamellar composite of aragonite (CaCO3) and organic sheets. Biomineralization frequently occurs via transient amorphous precursor phases, crystallizing into the final stable biomineral. In nacre, despite extensive attempts, amorphous calcium carbonate (ACC) precursors have remained elusive. They were inferred from non-nacre-forming larval shells, or from a residue of amorphous material surrounding mature gastropod nacre tablets, and have only once been observed in bivalve nacre. Here we present the first direct observation of ACC precursors to nacre formation, obtained from the growth front of nacre in gastropod shells from red abalone (Haliotis rufescens), using synchrotron spectromicroscopy. Surprisingly, the abalone nacre data show the same ACC phases that are precursors to calcite (CaCO3) formation in sea urchin spicules, and not proto-aragonite or poorly crystalline aragonite (pAra), as expected for aragonitic nacre. In contrast, we find pAra in coral.

  16. Acoustic scattering from a finite cylindrical shell with evenly spaced stiffeners: Experimental investigation

    NASA Astrophysics Data System (ADS)

    Liétard, R.; Décultot, D.; Maze, G.; Tran-van-Nhieu, M.

    2005-10-01

    The influence of evenly spaced ribs (internal rings) on the acoustic scattering from a finite cylindrical shell is examined over the dimensionless frequency range 1

  17. Low Cost CaTiO3 Perovskite Synthesized from Scallop (Anadara granosa) Shell as Antibacterial Ceramic Material

    NASA Astrophysics Data System (ADS)

    Fatimah, Is; Nur Ilahi, Rico; Pratami, Rismayanti

    2018-01-01

    Research on perovskite CaTiO3 synthesis from scallop (Anadara granosa) shell and its test as material for antibacterial ceramic application have been conducted. The synthesis was performed by calcium extraction from the scallop shell followed by solid-solid reaction of obtained calcium with TiO2. Physicochemical character of the perovskite wasstudied by measurement of crystallinity using x-ray diffraction (XRD), diffuse-reflectance UV Visible spectrophotometry, scanning electrone microscope-energy dispersive x-ray (SEM-EDX) and Fourier-Transform InfraRed. Considering the future application of the perovskite as antibacterial agent, laboratory test of the peroskite as material in antibacterial ceramic preparation was also conducted. Result of research indicated that perovskite formation was obtained and the material demonstrated photocatalytic activity as identified by band gap energy (Eg) value. The significant activity was also reflected by the antibacterial action of formed ceramic.

  18. Rhythmic patterns in ancient shells: Can we reconstruct sub-annual cyclicity in trace element and stable isotope profiles from rudist bivalves?

    NASA Astrophysics Data System (ADS)

    de Winter, N.; Sinnesael, M.; Vansteenberge, S.; Goderis, S.; Snoeck, C.; Van Malderen, S. J. M.; Vanhaecke, F. F.; Claeys, P.

    2017-12-01

    Well-preserved shells of Torreites rudists from the Late Campanian Saiwan Formation in Oman exhibit fine internal layering. These fine (±20 µm) laminae are rhythmically bundled (±400 µm) and subdivide the shells' larger scale annual lamination (±15 mm), suggesting the presence of several interfering cycles in shell growth rate. The aim of the present study is to determine the duration and chemical signature of these rhythmic variations in shell composition. To achieve this, a range of micro-analytical techniques is applied on cross sections through the shells. Firstly, microscopy-based layer counting and colorimetric analysis are carried out on thin sections of shell calcite. Secondly, X-Ray Fluorescence (XRF) and Fourier Transform InfraRed (FTIR) mapping of cross sections of the shells reveal chemical and structural differences between laminae in 2D. Thirdly, high-resolution XRF (25 µm) and Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS; 10 µm) trace element profiles are used to quantify variations in chemical composition between shell laminae. Fourthly, annual chronology is established based on micro-sampled stable carbon and oxygen stable isotope measurements (250 µm) along the growth axis of the shells. Finally, spectral analysis routines are applied to extract rhythmic patterns matched to the shell laminae from the structural, chemical and colorimetric data. Combining these methods allows for a full evaluation of the structural and chemical characteristics as well as the timing of sub-annual lamination in rudist shells. The results of this study shed light on the external factors that influenced growth rates in rudist bivalves. A better understanding of the timing of deposition of these laminae allows them to be used to improve age models of geochemical records in rudist shells. Characterization of small scale variations in shell composition will characterize the uncertainties contained within lower resolution proxy records from these fossil bivalves. Finally, the study of these laminae enables the reconstruction of sub-annual cyclicity in the environment of Late Cretaceous rudist bivalves. This may in turn shed light on the mechanics of climate in this shallow marine hothouse setting, which provide an analogue of future climate in the light of anthropogenic climate change.

  19. DIFFUSE: a FORTRAN program for design computation of tritium transport through thermonuclear reactor components by combined ordinary and thermal diffusion when the principal resistance to diffusion is the bulk metal

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

    Pendergrass, J.H.

    1977-10-01

    Based on the theory developed in an earlier report, a FORTRAN computer program, DIFFUSE, was written. It computes, for design purposes, rates of transport of hydrogen isotopes by temperature-dependent quasi-unidirectional, and quasi-static combined ordinary and thermal diffusion through thin, hot thermonuclear reactor components that can be represented by composites of plane, cylindrical-shell, and spherical-shell elements when the dominant resistance to transfer is that of the bulk metal. The program is described, directions for its use are given, and a listing of the program, together with sample problem results, is presented.

  20. Application of Ni-Oxide@TiO₂ Core-Shell Structures to Photocatalytic Mixed Dye Degradation, CO Oxidation, and Supercapacitors.

    PubMed

    Lee, Seungwon; Lee, Jisuk; Nam, Kyusuk; Shin, Weon Gyu; Sohn, Youngku

    2016-12-20

    Performing diverse application tests on synthesized metal oxides is critical for identifying suitable application areas based on the material performances. In the present study, Ni-oxide@TiO₂ core-shell materials were synthesized and applied to photocatalytic mixed dye (methyl orange + rhodamine + methylene blue) degradation under ultraviolet (UV) and visible lights, CO oxidation, and supercapacitors. Their physicochemical properties were examined by field-emission scanning electron microscopy, X-ray diffraction analysis, Fourier-transform infrared spectroscopy, and UV-visible absorption spectroscopy. It was shown that their performances were highly dependent on the morphology, thermal treatment procedure, and TiO₂ overlayer coating.

  1. Chemical route for formation of intermetallic Zn 4Sb 3 phase

    NASA Astrophysics Data System (ADS)

    Denoix, A.; Solaiappan, A.; Ayral, R. M.; Rouessac, F.; Tedenac, J. C.

    2010-05-01

    Synthesis of intermetallic zinc antimonide phases via low temperature solution route was investigated. Trial experiments were carried out under inert atmosphere at 70 °C using metallic Zn, SbCl 3 and NaBH 4 as reactants and tetrahydrofuran (THF), dimethylsulfoxide (DMSO) as organic media. Powder X-ray analysis confirmed the nucleation and growth of ZnSb phases in presence of excess Zn. SEM analysis revealed the existence of core-shell structure comprising of Zn core and Sb shell. Such particles get transformed into Zn 4Sb 3 crystalline phases upon thermal treatment at 300 °C/6 h in a silica tube closed under high secondary vacuum.

  2. Enhancing capacitance behaviour of CoOOH nanostructures using transition metal dopants by ambient oxidation.

    PubMed

    Chen, Yanhui; Zhou, Junfeng; Maguire, Pierce; O'Connell, Robert; Schmitt, Wolfgang; Li, Yonghe; Yan, Zhengguang; Zhang, Yuefei; Zhang, Hongzhou

    2016-02-08

    Cobalt hydrate and doped binary Co0.9M0.1OOH (M = Ni, Mn, Fe) nanorings of 100-300 nm were fabricated in solution through a facile ambient oxidation method. A transformation from Co0.9Ni0.1(OH)2 nanodiscs to hollow Co0.9Ni0.1OOH nanorings was observed with prolonged reaction time. Core-shell nanodiscs have elemental segregation with a Co(OH)2 core and Ni(OH)2 shell. Co0.9Ni0.1OOH nanorings displayed a higher electrochemical capacitance than Mn and Fe doped nanorings materials or materials with disc-like geometries.

  3. Experimental evaluation of fluorescent (alizarin red S and calcein) and clip-tag markers for stock assessment of ark shell, Anadara broughtonii

    NASA Astrophysics Data System (ADS)

    Zhou, Shanshan; Zhang, Xiumei; Li, Wentao; Li, Long; Cai, Xingyuan

    2017-03-01

    Release programs to enhance stocks of ark shell ( Anadara broughtonii) have been undertaken in a number of Asian countries, but their effectiveness has rarely been investigated owing to a lack of marking methods. The quality and longevity of fluorescent markers, alizarin red S (ARS) and calcein (CAL) (200 and 300 mg/L), as well as clip tags, were tested on juvenile A. broughtonii. No significant differences in survival or shell growth were observed in juveniles stained with either of the two fluorochromes after a 160-day culture period, but the retention rate was 100% after 1 year. Fluorescent marks (≥grade 3) were observable microscopically in juveniles stained with the two fluorochromes, and some fluorescent marks (≥grade 4) were visible with the naked eye after 1 year. ARS-marked shells were brighter than those marked with CAL, and shells marked with 300 mg/L of the fluorochromes were easier to detect than those marked with 200 mg/L. Clip tags were incorporated into the shell as the bivalve grew, and the retention rate was 64.25% after 160 days. Significant differences in survival (at 30 days), shell length (at 60, 90, 120, and 160 days), and wet weight (at 90, 120, and 160 days) were observed between the clip-tagged and control groups (all P< 0.05), indicating that the tags may have passive effects on the ark shell. The results suggest that both ARS and CAL are suitable to mark A. broughtonii for large-scale restocking programs, and that optimal marking quality was achieved with 300 mg/L ARS. Lighter and smaller clip tags need to be developed to reduce injury and increase survival rate of clams.

  4. Shellwise Mackay transformation in iron nanoclusters.

    PubMed

    Rollmann, Georg; Gruner, Markus E; Hucht, Alfred; Meyer, Ralf; Entel, Peter; Tiago, Murilo L; Chelikowsky, James R

    2007-08-24

    Structure and magnetism of iron clusters with up to 641 atoms have been investigated by means of density functional theory calculations including full geometric optimizations. Body-centered cubic (bcc) isomers are found to be lowest in energy when the clusters contain more than about 100 atoms. In addition, another stable conformation has been identified for magic-number clusters, which lies well within the range of thermal energies as compared to the bcc isomers. Its structure is characterized by a close-packed particle core and an icosahedral surface, while intermediate shells are partially transformed along the Mackay path between icosahedral and cuboctahedral geometry. The gradual transformation results in a favorable bcc environment for the subsurface atoms. For Fe55, the shellwise Mackay-transformed morphology is a promising candidate for the ground state.

  5. Highly stable multi-wall carbon nanotubes@poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate) core-shell composites with three-dimensional porous nano-network for electrochemical capacitors

    NASA Astrophysics Data System (ADS)

    Zhou, Haihan; Han, Gaoyi; Chang, Yunzhen; Fu, Dongying; Xiao, Yaoming

    2015-01-01

    A facile and feasible electrochemical polymerization method has been used to construct the multi-wall carbon nanotubes@poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate) (MWCNTs@PEDOT/PSS) core-shell composites with three-dimensional (3D) porous nano-network microstructure. The composites are characterized with Fourier transform infrared spectroscopy, scanning electron microscope, and transmission electron microscopy. This special core-shell nanostructure can significantly reduce the ions diffusion distance and the 3D porous nano-network microstructure effectively enlarges the electrode/electrolyte interface. The electrochemical tests including cyclic voltammetry, galvanostatic charge/discharge measurements, and electrochemical impedance spectroscopy tests are performed, the results manifest the MWCNTs@PEDOT/PSS core-shell composites have superior capacitive behaviors and excellent cyclic stability, and a high areal capacitance of 98.1 mF cm-2 is achieved at 5 mV s-1 cyclic voltammetry scan. Furthermore, the MWCNTs@PEDOT/PSS composites exhibit obviously superior capacitive performance than that of PEDOT/PSS and PEDOT/Cl electrodes, indicating the effective composite of MWCNTs and PEDOT noticeably boosts the capacitive performance of PEDOT-based electrodes for electrochemical energy storage. Such a highly stable core-shell 3D network structural composite is very promising to be used as electrode materials for the high-performance electrochemical capacitors.

  6. Selective Removal of Hemoglobin from Blood Using Hierarchical Copper Shells Anchored to Magnetic Nanoparticles

    PubMed Central

    Wang, Yaokun; Yan, Mingyang

    2017-01-01

    Hierarchical copper shells anchored on magnetic nanoparticles were designed and fabricated to selectively deplete hemoglobin from human blood by immobilized metal affinity chromatography. Briefly, CoFe2O4 nanoparticles coated with polyacrylic acid were first synthesized by a one-pot solvothermal method. Hierarchical copper shells were then deposited by immobilizing Cu2+ on nanoparticles and subsequently by reducing between the solid CoFe2O4@COOH and copper solution with NaBH4. The resulting nanoparticles were characterized by scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectrometry, X-ray photoelectron spectroscopy, and vibrating sample magnetometry. The particles were also tested against purified bovine hemoglobin over a range of pH, contact time, and initial protein concentration. Hemoglobin adsorption followed pseudo-second-order kinetics and reached equilibrium in 90 min. Isothermal data also fit the Langmuir model well, with calculated maximum adsorption capacity 666 mg g−1. Due to the high density of Cu2+ on the shell, the nanoparticles efficiently and selectively deplete hemoglobin from human blood. Taken together, the results demonstrate that the particles with hierarchical copper shells effectively remove abundant, histidine-rich proteins, such as hemoglobin from human blood, and thereby minimize interference in diagnostic and other assays. PMID:28316987

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

    Ganesh, Panchapakesan; Kent, Paul R; Mochalin, Vadym N

    We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbon nanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core ofmore » the nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbon nanostructure appears, with a shell-shell spacing of about {approx}3.4 {angstrom} for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large ({approx}29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.« less

  8. 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

  9. Thought for Food

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Key to the integral heating system's efficiency is the "dish-oven", which doubles as a heating unit and serving plate. The dish-oven consists of a sealing frame (top) a plastic outer shell (center) and the ceramic inner dish. A special coating on the bottom of the inner dish transforms electrical impulses into heat

  10. PRESS SHOP. SEVEN BLISS PRESSES STAMP OUT A VARIETY OF ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    PRESS SHOP. SEVEN BLISS PRESSES STAMP OUT A VARIETY OF CARTRIDGE AND SHELL CASINGS. THIS DEPARTMENT WAS TRANSFORMED FROM A MONEY-LOSING OPERATION TO A PROFIT CENTER UNDER THE FIRST WORKER-MANAGED QUALITY CIRCLE IN THE PLANT. - American Brass Foundry, 70 Sayre Street, Buffalo, Erie County, NY

  11. 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.

  12. 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.

  13. Global U(1 ) Y⊗BRST symmetry and the LSS theorem: Ward-Takahashi identities governing Green's functions, on-shell T -matrix elements, and the effective potential in the scalar sector of the spontaneously broken extended Abelian Higgs model

    NASA Astrophysics Data System (ADS)

    Lynn, Bryan W.; Starkman, Glenn D.

    2017-09-01

    The weak-scale U (1 )Y Abelian Higgs model (AHM) is the simplest spontaneous symmetry breaking (SSB) gauge theory: a scalar ϕ =1/√{2 }(H +i π )≡1/√{2 }H ˜ei π ˜/⟨H ⟩ and a vector Aμ. The extended AHM (E-AHM) adds certain heavy (MΦ2,Mψ2˜MHeavy2≫⟨H ⟩2˜mWeak2 ) spin S =0 scalars Φ and S =1/2 fermions ψ . In Lorenz gauge, ∂μAμ=0 , the SSB AHM (and E-AHM) has a global U (1 )Y conserved physical current, but no conserved charge. As shown by T. W. B. Kibble, the Goldstone theorem applies, so π ˜ is a massless derivatively coupled Nambu-Goldstone boson (NGB). Proof of all-loop-orders renormalizability and unitarity for the SSB case is tricky because the Becchi-Rouet-Stora-Tyutin (BRST)-invariant Lagrangian is not U (1 )Y symmetric. Nevertheless, Slavnov-Taylor identities guarantee that on-shell T-matrix elements of physical states Aμ,ϕ , Φ , ψ (but not ghosts ω , η ¯ ) are independent of anomaly-free local U (1 )Y gauge transformations. We observe here that they are therefore also independent of the usual anomaly-free U (1 )Y global/rigid transformations. It follows that the associated global current, which is classically conserved only up to gauge-fixing terms, is exactly conserved for amplitudes of physical states in the AHM and E-AHM. We identify corresponding "undeformed" [i.e. with full global U (1 )Y symmetry] Ward-Takahashi identities (WTI). The proof of renormalizability and unitarity, which relies on BRST invariance, is undisturbed. In Lorenz gauge, two towers of "1-soft-pion" SSB global WTI govern the ϕ -sector, and represent a new global U (1 )Y⊗BRST symmetry not of the Lagrangian but of the physics. The first gives relations among off-shell Green's functions, yielding powerful constraints on the all-loop-orders ϕ -sector SSB E-AHM low-energy effective Lagrangian and an additional global shift symmetry for the NGB: π ˜→π ˜+⟨H ⟩θ . A second tower, governing on-shell T-matrix elements, replaces the old Adler self-consistency conditions with those for gauge theories, further severely constrains the effective potential, and guarantees infrared finiteness for zero NGB (π ˜) mass. The on-shell WTI include a Lee-Stora-Symanzik theorem, also for gauge theories. This enforces the strong condition mπ2=0 on the pseudoscalar π (not just the much weaker condition mπ˜2=0 on the NGB π ˜), and causes all relevant-operator contributions to the effective Lagrangian to vanish exactly. In consequence, certain heavy C P -conserving Φ , ψ matter decouple completely in the mHe a v y 2/mwe a k 2→∞ limit. We prove four new low-energy heavy-particle decoupling theorems that are more powerful than the usual Appelquist-Carazzone decoupling theorem: including all virtual ϕ and ψ loop contributions, relevant operators operators vanish exactly due to the exact U (1 )Y symmetry of 1-soft-π Adler-self-consistency relations governing on-shell T-matrix elements. Underlying our results is that global U (1 )Y transformations δU (1 )Y,and nilpotent s2=0 BRST transformations, commute: we prove [δU (1 )Y,s ] in G. 't Hooft's Rξ gauges. With its on-shell T-matrix constraints, SSB E-AHM physics therefore has more symmetry than does its BRST-invariant Lagrangian LE-AHM Rξ : i.e. global U (1 )Y⊗BRST symmetry. The NGB π ˜ decouples from the observable particle spectrum Bμ,h ˜, Φ ˜, ψ ˜ in the usual way, when the observable vector Bμ≡Aμ+1/e ⟨H ⟩ ∂μπ ˜ absorbs it, as if it were a gauge transformation, hiding both towers of U (1 )Y WTI from observable particle physics.

  14. Characterization of Al 2219 material for the application of the spin-forming-process

    NASA Astrophysics Data System (ADS)

    Mueller-Wiesner, D.; Sieger, E.; Ernsberger, K.

    1991-10-01

    The shells of the propellant tanks of the Ariane 5 EPS stage are to be manufactured by the spin forming process. The material for the shells (hemispheres) is the aluminum alloy 2219. By a material characterization program optimized parameters for the application of the forming process starting from different material conditions (T31 temper and '0' condition) are determined. Based on the results of this program it was decided to start spin forming in the '0' condition for flight hardware.

  15. X-Ray Laser Program Report for FY 1989

    DTIC Science & Technology

    1990-05-24

    theoretical photopumped x-ray laser program also involves the use of a neon lasant plasma. However, that is the only similarity to the Na/Ne scheme described...K-shell neon Z pinch photons of energy hv > 900 eV, photoionize inner K-shell electrons from the neutral neon, leading to Auger decay from Ne II to...is generated by electrons which are produced in the photoionization of Ne I. For example, ionization by the Ly-a line produces 150-eV photoelectrons

  16. SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomolecules.

    PubMed

    Bardhan, Jaydeep; Park, Sanghyun; Makowski, Lee

    2009-10-01

    This paper describes a computational approach to estimating wide-angle X-ray solution scattering (WAXS) from proteins, which has been implemented in a computer program called SoftWAXS. The accuracy and efficiency of SoftWAXS are analyzed for analytically solvable model problems as well as for proteins. Key features of the approach include a numerical procedure for performing the required spherical averaging and explicit representation of the solute-solvent boundary and the surface of the hydration layer. These features allow the Fourier transform of the excluded volume and hydration layer to be computed directly and with high accuracy. This approach will allow future investigation of different treatments of the electron density in the hydration shell. Numerical results illustrate the differences between this approach to modeling the excluded volume and a widely used model that treats the excluded-volume function as a sum of Gaussians representing the individual atomic excluded volumes. Comparison of the results obtained here with those from explicit-solvent molecular dynamics clarifies shortcomings inherent to the representation of solvent as a time-averaged electron-density profile. In addition, an assessment is made of how the calculated scattering patterns depend on input parameters such as the solute-atom radii, the width of the hydration shell and the hydration-layer contrast. These results suggest that obtaining predictive calculations of high-resolution WAXS patterns may require sophisticated treatments of solvent.

  17. Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation

    NASA Astrophysics Data System (ADS)

    Ulvestad, A.; Welland, M. J.; Cha, W.; Liu, Y.; Kim, J. W.; Harder, R.; Maxey, E.; Clark, J. N.; Highland, M. J.; You, H.; Zapol, P.; Hruszkewycz, S. O.; Stephenson, G. B.

    2017-05-01

    Crystallographic imperfections significantly alter material properties and their response to external stimuli, including solute-induced phase transformations. Despite recent progress in imaging defects using electron and X-ray techniques, in situ three-dimensional imaging of defect dynamics remains challenging. Here, we use Bragg coherent diffractive imaging to image defects during the hydriding phase transformation of palladium nanocrystals. During constant-pressure experiments we observe that the phase transformation begins after dislocation nucleation close to the phase boundary in particles larger than 300 nm. The three-dimensional phase morphology suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than to the core-shell model commonly assumed. We substantiate this using three-dimensional phase field modelling, demonstrating how phase morphology affects the critical size for dislocation nucleation. Our results reveal how particle size and phase morphology affects transformations in the PdH system.

  18. A computer program for anisotropic shallow-shell finite elements using symbolic integration

    NASA Technical Reports Server (NTRS)

    Andersen, C. M.; Bowen, J. T.

    1976-01-01

    A FORTRAN computer program for anisotropic shallow-shell finite elements with variable curvature is described. A listing of the program is presented together with printed output for a sample case. Computation times and central memory requirements are given for several different elements. The program is based on a stiffness (displacement) finite-element model in which the fundamental unknowns consist of both the displacement and the rotation components of the reference surface of the shell. Two triangular and four quadrilateral elements are implemented in the program. The triangular elements have 6 or 10 nodes, and the quadrilateral elements have 4 or 8 nodes. Two of the quadrilateral elements have internal degrees of freedom associated with displacement modes which vanish along the edges of the elements (bubble modes). The triangular elements and the remaining two quadrilateral elements do not have bubble modes. The output from the program consists of arrays corresponding to the stiffness, the geometric stiffness, the consistent mass, and the consistent load matrices for individual elements. The integrals required for the generation of these arrays are evaluated by using symbolic (or analytic) integration in conjunction with certain group-theoretic techniques. The analytic expressions for the integrals are exact and were developed using the symbolic and algebraic manipulation language.

  19. Simple-to-Complex Transformation in Liquid Rubidium.

    PubMed

    Gorelli, Federico A; De Panfilis, Simone; Bryk, Taras; Ulivi, Lorenzo; Garbarino, Gaston; Parisiades, Paraskevas; Santoro, Mario

    2018-05-18

    We investigated the atomic structure of liquid Rb along an isothermal path at 573 K, up to 23 GPa, by X-ray diffraction measurements. By raising the pressure, we observed a liquid-liquid transformation from a simple metallic liquid to a complex one. The transition occurs at 7.5 ± 1 GPa which is slightly above the first maximum of the T-P melting line. This transformation is traced back to the density-induced hybridization of highest electronic orbitals leading to the accumulation of valence electrons between Rb atoms and to the formation of interstitial atomic shells, a behavior that Rb shares with Cs and is likely to be common to all alkali metals.

  20. Design of the Coordinate Transformation Function for Cylindrical Acoustic Cloaks with a Quantity of Discrete Layers

    NASA Astrophysics Data System (ADS)

    Cai, Li; Wen, Ji-Hong; Yu, Dian-Long; Lu, Zhi-Miao; Wen, Xi-Sen

    2014-09-01

    Acoustic cloak based on coordinate transformation is of great topical interest and has promise in potential applications such as sound transparency and insulation. The frequency response of acoustic cloaks with a quantity of discrete homogeneous layers is analyzed by the acoustic scattering theory. The effect of coordinate transformation function on the acoustic total scattering cross section is discussed to achieve low scattering with only a few layers of anisotropic metamaterials. Also, the physics of acoustic wave interaction with the interfaces between the discrete layers inside the cloak shell is discussed. These results provide a better way of designing a multilayered acoustic cloak with fewer layers.

  1. Conformal structure of massless scalar amplitudes beyond tree level

    NASA Astrophysics Data System (ADS)

    Banerjee, Nabamita; Banerjee, Shamik; Bhatkar, Sayali Atul; Jain, Sachin

    2018-04-01

    We show that the one-loop on-shell four-point scattering amplitude of massless ϕ 4 scalar field theory in 4D Minkowski space time, when Mellin transformed to the Celestial sphere at infinity, transforms covariantly under the global conformal group (SL(2, ℂ)) on the sphere. The unitarity of the four-point scalar amplitudes is recast into this Mellin basis. We show that the same conformal structure also appears for the two-loop Mellin amplitude. Finally we comment on some universal structure for all loop four-point Mellin amplitudes specific to this theory.

  2. 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.

  3. Plant Equipment Package Modernization Program. Volume 4-1. Model Lines. Shell, HE, M483/M107-155MM Case, Cartridge, M115B1, M148A1B1, M150B1-105MM Shell, HEAT-T, M456A1-105MM Fuze, PD, M739

    DTIC Science & Technology

    1976-04-01

    Cartridge, M115B1, M148A1B1, M15#1B1-15MM J .. Shell, HEAT-T, M456A1-105MM Fuze, PD, M739 # prepared for Project Manager Munitions Production Base...ENGINEERS PLANT EQUIPMENT PACKAGE MODERNIZATION PROGRAM Volume 4-1 Report No. 75-86-R-4- MODEL LINE DEVELOPMENT FUZE,PD, M739 prepared for Project...In preparing the model line for the manufacture of piece parts for the M739 fuze, a number of facts became obvious and affect the detailed de- [ sign

  4. Razor clam (Ensis directus) shell as a low-cost adsorbent for the removal of Congo red and Rhodamine B dyes from aqueous solution

    NASA Astrophysics Data System (ADS)

    Areibat, Lila Elamari Mohamed; Kamari, Azlan

    2017-05-01

    Wastewater originating from industrial effluents contains many types of pollutants including dyes. Anionic and cationic dyes are very toxic and they can cause several problems to aquatic system. In present study, razor clam shell was used as a potential adsorbent to remove two classes of dyes, namely anionic (Congo red, CR) and cationic (Rhodamine B, RB) dyes from aqueous solution. Batch adsorption experiments were performed to study the effects of three experimental parameters, namely solution pH, adsorbent dosage and initial dye concentration, on adsorption capacity of CR and RB onto razor clam shell. Results indicated that pH 2.0 was optimum pH for adsorbent to adsorb both CR and RB. At an initial concentration of 20 mg/L, the removal percentages of CR and RB were 97% and 38%, respectively. The Freundlich and Langmuir isotherm models were used to describe adsorption behaviour of CR and RB, as well as the relationship between adsorbent and adsorbate. The adsorption equilibrium data were well fitted to Freundlich isotherm model. The separation factor (RL) constants suggest that both CR and RB were favourably adsorbed by razor clam shell. Razor clam shell was characterised by using two techniques, namely Scanning Electron Microscopy (SEM) and Fourier Transform Infrared Spectrometry (FTIR). Overall, this study suggests that razor clam shell has great potential to be an alternative to expensive adsorbents.

  5. Green synthesis of Pd nanoparticles at Apricot kernel shell substrate using Salvia hydrangea extract: Catalytic activity for reduction of organic dyes.

    PubMed

    Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

    2017-03-15

    For the first time the extract of the plant of Salvia hydrangea was used to green synthesis of Pd nanoparticles (NPs) supported on Apricot kernel shell as an environmentally benign support. The Pd NPs/Apricot kernel shell as an effective catalyst was prepared through reduction of Pd 2+ ions using Salvia hydrangea extract as the reducing and capping agent and Pd NPs immobilization on Apricot kernel shell surface in the absence of any stabilizer or surfactant. According to FT-IR analysis, the hydroxyl groups of phenolics in Salvia hydrangea extract as bioreductant agents are directly responsible for the reduction of Pd 2+ ions and formation of Pd NPs. The as-prepared catalyst was characterized by Fourier transform infrared (FT-IR) and UV-Vis spectroscopy, field emission scanning electron microscopy (FESEM) equipped with an energy dispersive X-ray spectroscopy (EDS), Elemental mapping, X-ray diffraction analysis (XRD) and transmittance electron microscopy (TEM). The synthesized catalyst was used in the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), Methylene Blue (MB), Rhodamine B (RhB), and Congo Red (CR) at room temperature. The Pd NPs/Apricot kernel shell showed excellent catalytic activity in the reduction of these organic dyes. In addition, it was found that Pd NPs/Apricot kernel shell can be recovered and reused several times without significant loss of catalytic activity. Copyright © 2016 Elsevier Inc. All rights reserved.

  6. The Shell Science Centre in INSET 1990.

    ERIC Educational Resources Information Center

    Hardman, S., Comp.; Lewy, A., Ed.

    This collection of articles describes the evaluation activities of the inservice education and training (INSET) programs of the Shell Mathematics and Science Centre. The activities occurred during the first half of 1990 and concentrated specifically on physical science, biology, and mathematics. Twenty articles are presented in the following six…

  7. Computer program for stress, stability, and vibration of complex branched shells of revolution: BOSOR 4

    NASA Technical Reports Server (NTRS)

    Bushnell, D.

    1974-01-01

    Code is easy to use yet is general with respect to: (a) type of analysis to be performed; (b) geometry of shell meridian; (c) type of wall construction; (d) type of boundary conditions, ring supports, and branching configuration; and (e) type of loading.

  8. X-ray absorption spectral studies of copper (II) mixed ligand complexes

    NASA Astrophysics Data System (ADS)

    Soni, B.; Dar, Davood Ah; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

    2014-09-01

    X-ray absorption spectra at the K-edge of copper have been studied in two copper mixed ligand complexes, one having tetramethyethylenediamine (tmen) and the other having tetraethyethylenediamine (teen) as one of the ligands. The spectra have been recorded at BL-8 dispersive extended X-ray absorption fine structure (EXAFS) beamline at the 2.5 GeV INDUS- 2 synchrotron, RRCAT, Indore, India. The data obtained has been processed using the data analysis program Athena. The energy of the K-absorption edge, chemical shift, edge-width and shift of the principal absorption maximum in the complexes have been determined and discussed. The values of these parameters have been found to be approximately the same in both the complexes indicating that the two complexes possess similar chemical environment around the copper metal atom. The chemical shift has been utilized to estimate effective nuclear charge on the absorbing atom. The normalized EXAFS spectra have been Fourier transformed. The position of the first peak in the Fourier transform gives the value of first shell bond length, which is shorter than the actual bond length because of energy dependence of the phase factors in the sine function of the EXAFS equation. This distance is thus the phase- uncorrected bond length. Bond length has also been determined by Levy's, Lytle's and Lytle, Sayers and Stern's (LSS) methods. The results obtained from LSS and the Fourier transformation methods are comparable with each other, since both are phase uncorrected bond lengths.

  9. Manufacturing of glassy thin shell for adaptive optics: results achieved

    NASA Astrophysics Data System (ADS)

    Poutriquet, F.; Rinchet, A.; Carel, J.-L.; Leplan, H.; Ruch, E.; Geyl, R.; Marque, G.

    2012-07-01

    Glassy thin shells are key components for the development of adaptive optics and are part of future & innovative projects such as ELT. However, manufacturing thin shells is a real challenge. Even though optical requirements for the front face - or optical face - are relaxed compared to conventional passive mirrors, requirements concerning thickness uniformity are difficult to achieve. In addition, process has to be completely re-defined as thin mirror generates new manufacturing issues. In particular, scratches and digs requirement is more difficult as this could weaken the shell, handling is also an important issue due to the fragility of the mirror. Sagem, through REOSC program, has recently manufactured different types of thin shells in the frame of European projects: E-ELT M4 prototypes and VLT Deformable Secondary Mirror (VLT DSM).

  10. ControlShell: A real-time software framework

    NASA Technical Reports Server (NTRS)

    Schneider, Stanley A.; Chen, Vincent W.; Pardo-Castellote, Gerardo

    1994-01-01

    The ControlShell system is a programming environment that enables the development and implementation of complex real-time software. It includes many building tools for complex systems, such as a graphical finite state machine (FSM) tool to provide strategic control. ControlShell has a component-based design, providing interface definitions and mechanisms for building real-time code modules along with providing basic data management. Some of the system-building tools incorporated in ControlShell are a graphical data flow editor, a component data requirement editor, and a state-machine editor. It also includes a distributed data flow package, an execution configuration manager, a matrix package, and an object database and dynamic binding facility. This paper presents an overview of ControlShell's architecture and examines the functions of several of its tools.

  11. ControlShell - A real-time software framework

    NASA Technical Reports Server (NTRS)

    Schneider, Stanley A.; Ullman, Marc A.; Chen, Vincent W.

    1991-01-01

    ControlShell is designed to enable modular design and impplementation of real-time software. It is an object-oriented tool-set for real-time software system programming. It provides a series of execution and data interchange mechansims that form a framework for building real-time applications. These mechanisms allow a component-based approach to real-time software generation and mangement. By defining a set of interface specifications for intermodule interaction, ControlShell provides a common platform that is the basis for real-time code development and exchange.

  12. PANDA2: Program for Minimum Weight Design of Stiffened, Composite, Locally Buckled Panels

    DTIC Science & Technology

    1986-09-01

    a flat panel or a panel that spans less than about 45 degrees of circumference. However, in PANDA2 complete cylindrical shells can be treated by the...compression and that corresponding to maximum in-plane shear. It is usually best to treat complete cylindrical shells in this way rather than try to set up a...to treat panels, not complete cylindrical shells. Therefore, it is best applied to panels. In PANDA2 the curved edges of a cylindrical panel lie in

  13. Culture and Sustainability: Lessons from the Oyster and Other Metaphors

    ERIC Educational Resources Information Center

    Galloway, Vicki

    2015-01-01

    Consider the oyster. Like all good metaphors, it has done some morphing since the days of Shakespeare's "Merry Wives of Windsor." Newer bands of shell material have repainted the mollusk metaphor, transforming it from ostracism, opportunism, and exploitation to openness, opportunity and exploration, and thus an apt symbol for the…

  14. [A symptom oriented diagnostic approach to the workup of secondary forms of uveitis -- an internet based program for better and easier orientation in differential diagnosis].

    PubMed

    Wiehler, U; Schmidt, R; Skonetzki, S; Becker, M

    2006-05-01

    The long list of ophthalmologic findings and symptoms at a baseline examination of a patient with uveitis can have an impact on further laboratory workup and differential diagnosis. Based on publications and previous work, a decision tree was transformed into the expert system shell D3. A web-based Java Servlet was then programmed and published on our website (http://www.uveitiscenter.de at DiagnoseFinder). Ophthalmologic findings and symptoms of the patient can be checked with this online questionnaire, and recommendations for further laboratory tests and further care of the patient received. Retrospective analysis of 62 patients with characteristic features of secondary uveitis showed a good correlation between the actual diagnosis of the patient and the diagnosis found by the program. In 74% of cases, the correct diagnosis was found among other options. In 37%, only the correct diagnosis was found, while in 37% the correct diagnosis was found among other probable diagnoses. Not all forms of secondary uveitis were found easily by the software. This program is meant to be an easily accessible and simply employable help for the care of patients with a secondary form of uveitis. It is intended to be a support not only for residents in particular, but also for ophthalmologists in private practice who rarely treat patients with uveitis.

  15. Core-shell magnetite-silica composite nanoparticles enhancing DNA damage induced by a photoactive platinum-diimine complex in red light.

    PubMed

    Zhang, Zhigang; Chai, Aiyun

    2012-12-01

    Lack of solubility under physiological conditions poses an additional risk for toxicity and side effects for intravenous delivery of the photodynamic therapeutic agent in vivo. Employing magnetite-silica composite nanoparticles as carriers of the photodynamic therapeutic agents may be a promising way to solve the problem. In this study, core-shell magnetite-silica composite nanoparticles were prepared by a sol-gel method, and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and dynamic light scattering, then they were used as carriers of a photoactive platinum diimine complex. The interactions of the photosensitizer-loaded magnetic composite nanoparticles with DNA in red light were monitored by agarose-gel electrophoresis. The results suggest that high doses of magnetite-silica composite nanoparticles might facilitate the transformation of covalently closed circular (ccc)-DNA band to open circular (oc)-DNA band though they are harmless to DNA at their low concentrations, therefore enhancing the extent of DNA damage caused by the metal complex in red light. Copyright © 2012 Elsevier Inc. All rights reserved.

  16. Optimal fitting of Gaussian-apodized or under-resolved emission lines in Fourier transform spectra providing new insights on the velocity structure of NGC 6720

    NASA Astrophysics Data System (ADS)

    Martin, Thomas B.; Prunet, Simon; Drissen, Laurent

    2016-12-01

    An analysis of the kinematics of NGC 6720 is performed on the commissioning data obtained with SITELLE, the Canada-France-Hawaii Telescope's new imaging Fourier transform spectrometer. In order to measure carefully the small broadening effect of a shell expansion on an unresolved emission line, we have determined a computationally robust implementation of the convolution of a Gaussian with a sinc instrumental line shape which avoids arithmetic overflows. This model can be used to measure line broadening of typically a few km s-1 even at low spectral resolution (R < 5000). We have also designed the corresponding set of Gaussian apodizing functions that are now used by ORBS, the SITELLE's reduction pipeline. We have implemented this model in ORCS, a fitting engine for SITELLE's data, and used it to derive the [S II] density map of the central part of the nebula. The study of the broadening of the [N II] lines shows that the main ring and the central lobe are two different shells with different expansion velocities. We have also derived deep and spatially resolved velocity maps of the halo in [N II] and Hα and found that the brightest bubbles are originating from two bipolar structures with a velocity difference of more than 35 km s-1 lying at the poles of a possibly unique halo shell expanding at a velocity of more than 15 km s-1.

  17. High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN.

    PubMed

    Coggins, Brian E; Zhou, Pei

    2008-12-01

    Recent efforts to reduce the measurement time for multidimensional NMR experiments have fostered the development of a variety of new procedures for sampling and data processing. We recently described concentric ring sampling for 3-D NMR experiments, which is superior to radial sampling as input for processing by a multidimensional discrete Fourier transform. Here, we report the extension of this approach to 4-D spectroscopy as Randomized Concentric Shell Sampling (RCSS), where sampling points for the indirect dimensions are positioned on concentric shells, and where random rotations in the angular space are used to avoid coherent artifacts. With simulations, we show that RCSS produces a very low level of artifacts, even with a very limited number of sampling points. The RCSS sampling patterns can be adapted to fine rectangular grids to permit use of the Fast Fourier Transform in data processing, without an apparent increase in the artifact level. These artifacts can be further reduced to the noise level using the iterative CLEAN algorithm developed in radioastronomy. We demonstrate these methods on the high resolution 4-D HCCH-TOCSY spectrum of protein G's B1 domain, using only 1.2% of the sampling that would be needed conventionally for this resolution. The use of a multidimensional FFT instead of the slow DFT for initial data processing and for subsequent CLEAN significantly reduces the calculation time, yielding an artifact level that is on par with the level of the true spectral noise.

  18. High Resolution 4-D Spectroscopy with Sparse Concentric Shell Sampling and FFT-CLEAN

    PubMed Central

    Coggins, Brian E.; Zhou, Pei

    2009-01-01

    SUMMARY Recent efforts to reduce the measurement time for multidimensional NMR experiments have fostered the development of a variety of new procedures for sampling and data processing. We recently described concentric ring sampling for 3-D NMR experiments, which is superior to radial sampling as input for processing by a multidimensional discrete Fourier transform. Here, we report the extension of this approach to 4-D spectroscopy as Randomized Concentric Shell Sampling (RCSS), where sampling points for the indirect dimensions are positioned on concentric shells, and where random rotations in the angular space are used to avoid coherent artifacts. With simulations, we show that RCSS produces a very low level of artifacts, even with a very limited number of sampling points. The RCSS sampling patterns can be adapted to fine rectangular grids to permit use of the Fast Fourier Transform in data processing, without an apparent increase in the artifact level. These artifacts can be further reduced to the noise level using the iterative CLEAN algorithm developed in radioastronomy. We demonstrate these methods on the high resolution 4-D HCCH-TOCSY spectrum of protein G's B1 domain, using only 1.2% of the sampling that would be needed conventionally for this resolution. The use of a multidimensional FFT instead of the slow DFT for initial data processing and for subsequent CLEAN significantly reduces the calculation time, yielding an artifact level that is on par with the level of the true spectral noise. PMID:18853260

  19. Formation, characterization, and dynamics of onion-like carbon structures for electrical energy storage from nanodiamonds using reactive force fields

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

    Ganesh, P.; Kent, P. R. C.; Mochalin, V.

    We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbonnanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core of themore » nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbonnanostructure appears, with a shell-shell spacing of about ~3.4 Å for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large (~29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.« less

  20. Formation, characterization and dynamics of onion like carbon structures from nanodiamonds using reactive force-fields for electrical energy storage

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

    Kent, Paul R

    We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbon nanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core ofmore » the nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbon nanostructure appears, with a shell-shell spacing of about {approx}3.4 {angstrom} for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large ({approx}29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.« less

  1. Surface and mechanical analysis of explanted Poly Implant Prosthèse silicone breast implants.

    PubMed

    Yildirimer, L; Seifalian, A M; Butler, P E

    2013-05-01

    The recent events surrounding Poly Implant Prosthèse (PIP) breast implants have renewed the debate about the safety profile of silicone implants. The intentional use of industrial-grade instead of certified medical-grade silicone is thought to be responsible for reportedly higher frequencies of implant rupture in vivo. The differences in mechanical and viscoelastic properties between PIP and medical-grade silicone implant shells were investigated. Surface characterization of shells and gels was carried out to determine structural changes occurring after implantation. Breast implants were obtained from women at the Royal Free Hospital (London, UK). PIP implants were compared with medical-grade control silicone implants. Tensile strength, tear resistance and elongation at break were assessed using a tensile tester. Surfaces were analysed using attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy. Spearman correlation analyses and Kruskal-Wallis one-way statistical tests were performed for mechanical data. There were 18 PIP and four medical-grade silicone implants. PIP silicone shells had significantly weaker mechanical strength than control shells (P < 0·009). There were negative correlations between mechanical properties of PIP shells and implantation times, indicative of deterioration of PIP shells over time in vivo (r(s) = -0·75, P = 0·009 for tensile strength; r(s) = -0·76, P = 0·001 for maximal strain). Comparison of ATR-FTIR spectra of PIP and control silicones demonstrated changes in material characteristics during the period of implantation suggestive of time-dependent bond breakage and degradation of the material. This study demonstrated an increased weakness of PIP shells with time and therefore supports the argument for prophylactic removal of PIP breast implants. © 2013 British Journal of Surgery Society Ltd. Published by John Wiley & Sons Ltd.

  2. Calcium hydroxide coating on highly reactive nanoscale zero-valent iron for in situ remediation application.

    PubMed

    Wei, Cai-Jie; Xie, Yue-Feng; Wang, Xiao-Mao; Li, Xiao-Yan

    2018-05-23

    Nano scale zero-valent iron (nZVI), a promising engineering technology for in situ remediation, has been greatly limited by quick self-corrosion and low mobility in porous media. Highly reactive nZVI particles produced from the borohydride reduction method were enclosed in a releasable Ca(OH) 2 layer by the chemical deposition method. The amount of Ca(OH) 2 coated on nZVI surface were well controlled by the precursor dosage. At moderate Ca(OH) 2 dosage (R Ca/TFe  = 0.25) condition, the increment of Fe 0 content for the obtained nZVI/Ca-0.25 sample was observed. The interfacial reactions between the iron oxide shell and the Ca(OH) 2 saturated environment were delicately elucidated by the X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) spectrum. And the coverage of Ca(OH) 2 shell on spherical nZVI surface was found more complete and uniform for the nZVI/Ca sample obtained from the moderate precursor dosage condition (R Ca/TFe  = 0.25). The Ca(OH) 2 shell before dissolution was demonstrated owning the anti-corrosion capability to slow down the oxidation of Fe 0 core in air, during ethanol storage and in aqueous environment. The mechanism of anti-corrosion capability for nZVI/Ca-0.25 particle was interestingly found to be attributed to the Ca(OH) 2 shell isolation and also be potentially due to the iron oxide shell phase transformation mediated by the outer Ca(OH) 2 shell. An improved trichloroethylene reduction performance was observed for nZVI/Ca-0.25 than bare nZVI. The mobility of nZVI/Ca particles in water-saturated porous media was moderately improved before shell dissolution. Copyright © 2018 Elsevier Ltd. All rights reserved.

  3. Application of Ni-Oxide@TiO2 Core-Shell Structures to Photocatalytic Mixed Dye Degradation, CO Oxidation, and Supercapacitors

    PubMed Central

    Lee, Seungwon; Lee, Jisuk; Nam, Kyusuk; Shin, Weon Gyu; Sohn, Youngku

    2016-01-01

    Performing diverse application tests on synthesized metal oxides is critical for identifying suitable application areas based on the material performances. In the present study, Ni-oxide@TiO2 core-shell materials were synthesized and applied to photocatalytic mixed dye (methyl orange + rhodamine + methylene blue) degradation under ultraviolet (UV) and visible lights, CO oxidation, and supercapacitors. Their physicochemical properties were examined by field-emission scanning electron microscopy, X-ray diffraction analysis, Fourier-transform infrared spectroscopy, and UV-visible absorption spectroscopy. It was shown that their performances were highly dependent on the morphology, thermal treatment procedure, and TiO2 overlayer coating. PMID:28774145

  4. Nanoparticles of wurtzite aluminum nitride from the nut shells

    NASA Astrophysics Data System (ADS)

    Qadri, S. B.; Gorzkowski, E. P.; Rath, B. B.; Feng, C. R.; Amarasinghe, R.

    2016-11-01

    Nanoparticles of aluminum nitride were produced from a thermal treatment of a mixture of aluminum oxide (Al2O3) and shells of almond, cashew, coconuts, pistachio, and walnuts in a nitrogen atmosphere at temperatures in excess of 1450 °C. By selecting the appropriate ratios of each nut powder to Al2O3, it is shown that stoichiometric aluminum nitride can be produced by carbo-thermal reduction in nitrogen atmosphere. Using x-ray diffraction analysis, Raman scattering and Fourier Transform Infrared spectroscopy, it is demonstrated that aluminum nitride consists of pure wurtzite phase. Transmission electron microscopy showed the formation of nanoparticles and in some cases nanotubes of AlN.

  5. Enhancing capacitance behaviour of CoOOH nanostructures using transition metal dopants by ambient oxidation

    PubMed Central

    Chen, Yanhui; Zhou, Junfeng; Maguire, Pierce; O’Connell, Robert; Schmitt, Wolfgang; Li, Yonghe; Yan, Zhengguang; Zhang, Yuefei; Zhang, Hongzhou

    2016-01-01

    Cobalt hydrate and doped binary Co0.9M0.1OOH (M = Ni, Mn, Fe) nanorings of 100–300 nm were fabricated in solution through a facile ambient oxidation method. A transformation from Co0.9Ni0.1(OH)2 nanodiscs to hollow Co0.9Ni0.1OOH nanorings was observed with prolonged reaction time. Core-shell nanodiscs have elemental segregation with a Co(OH)2 core and Ni(OH)2 shell. Co0.9Ni0.1OOH nanorings displayed a higher electrochemical capacitance than Mn and Fe doped nanorings materials or materials with disc-like geometries. PMID:26853105

  6. Stress concentration factors for circular, reinforced penetrations in pressurized cylindrical shells. Ph.D. Thesis - Virginia Univ.

    NASA Technical Reports Server (NTRS)

    Ramsey, J. W., Jr.

    1975-01-01

    The effect on stresses in a cylindrical shell with a circular penetration subject to internal pressure was investigated in thin, shallow linearly, elastic cylindrical shells. Results provide numerical predictions of peak stress concentration factors around nonreinforced and reinforced penetrations in pressurized cylindrical shells. Analytical results were correlated with published formulas, as well as theoretical and experimental results. An accuracy study was made of the finite element program for each of the configurations considered important in pressure vessel technology. A formula is developed to predict the peak stress concentration factor for analysis and/or design in conjunction with the ASME Boiler and Pressure Vessel Code.

  7. Highly efficient one-step synthesis of carbon encapsulated nanocrystals by the oxidation of metal π-complexes

    NASA Astrophysics Data System (ADS)

    Liu, Boyang; Shao, Yingfeng; Xiang, Xin; Zhang, Fuhua; Yan, Shengchang; Li, Wenge

    2017-08-01

    Various carbon encapsulated nanocrystals, including MnS and MnO, Cr2O3, MoO2, Fe7S8 and Fe3O4, and ZrO2, are prepared in one step and in situ by a simple and highly efficient synthesis approach. The nanocrystals have an equiaxed morphology and a median size smaller than 30 nm. Tens and hundreds of these nanocrystals are entirely encapsulated by a wormlike amorphous carbon shell. The formation of a core-shell structure depends on the strongly exothermic reaction of metal π-complexes with ammonium persulfate in an autoclave at below 200 °C. During the oxidation process, the generated significant amounts of heat will destroy the molecular structure of the metal π-complex and cleave the ligands into small carbon fragments, which further transform into an amorphous carbon shell. The central metal atoms are oxidized to metal oxide/sulfide nanocrystals. The formation of a core-shell structure is independent of the numbers of ligands and carbon atoms as well as the metal types, implying that any metal π-complex can serve as a precursor and that various carbon encapsulated nanocrystals can be synthesized by this method.

  8. Polymerizable Molecular Silsesquioxane Cage Armored Hybrid Microcapsules with In Situ Shell Functionalization.

    PubMed

    Xing, Yuxiu; Peng, Jun; Xu, Kai; Lin, Weihong; Gao, Shuxi; Ren, Yuanyuan; Gui, Xuefeng; Liang, Shengyuan; Chen, Mingcai

    2016-02-01

    We prepared core-shell polymer-silsesquioxane hybrid microcapsules from cage-like methacryloxypropyl silsesquioxanes (CMSQs) and styrene (St). The presence of CMSQ can moderately reduce the interfacial tension between St and water and help to emulsify the monomer prior to polymerization. Dynamic light scattering (DLS) and TEM analysis demonstrated that uniform core-shell latex particles were achieved. The polymer latex particles were subsequently transformed into well-defined hollow nanospheres by removing the polystyrene (PS) core with 1:1 ethanol/cyclohexane. High-resolution TEM and nitrogen adsorption-desorption analysis showed that the final nanospheres possessed hollow cavities and had porous shells; the pore size was approximately 2-3 nm. The nanospheres exhibited large surface areas (up to 486 m 2  g -1 ) and preferential adsorption, and they demonstrated the highest reported methylene blue adsorption capacity (95.1 mg g -1 ). Moreover, the uniform distribution of the methacryloyl moiety on the hollow nanospheres endowed them with more potential properties. These results could provide a new benchmark for preparing hollow microspheres by a facile one-step template-free method for various applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Synthesis of SiCN@TiO2 core-shell ceramic microspheres via PDCs method

    NASA Astrophysics Data System (ADS)

    Liu, Hongli; Wei, Ning; Li, Jing; Zhang, Haiyuan; Chu, Peng

    2018-02-01

    A facile and effective polymer-derived ceramics (PDCs) emulsification-crosslinking-pyrolysis method was developed to fabricate SiCN@TiO2 core-shell ceramic microspheres with polyvinylsilazane (PVSZ) and tetrabutyl titanate (TBT) as precursors. The TBT: PVSZ mass ratios, emulsifier concentrations and the pyrolysis temperature were examined as control parameters to tune the size and morphology of microspheres. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed the synthesized SiCN@TiO2 microspheres to be comprised of SiCN core coated with TiO2 crystals, with an average size of 0.88 μm when pyrolyzed at 1400 °C. The analysis of Fourier transform infrared spectroscopy (FT-IR), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) ensured that SiCN@TiO2 core-shell ceramic microspheres composed of rutile TiO2, β-SiC and Si3N4 crystalline phases, The thermal properties were characterized by thermogravimetric analysis (TGA). The obtained SiCN@TiO2 core-shell ceramic microspheres were the promising candidate of the infrared opacifier in silica aerogels and this technique can be extended to other preceramic polymers.

  10. Electrosprayed nanoparticle delivery system for controlled release.

    PubMed

    Eltayeb, Megdi; Stride, Eleanor; Edirisinghe, Mohan; Harker, Anthony

    2016-09-01

    This study utilises an electrohydrodynamic technique to prepare core-shell lipid nanoparticles with a tunable size and high active ingredient loading capacity, encapsulation efficiency and controlled release. Using stearic acid and ethylvanillin as model shell and active ingredients respectively, we identify the processing conditions and ratios of lipid:ethylvanillin required to form nanoparticles. Nanoparticles with a mean size ranging from 60 to 70nm at the rate of 1.37×10(9) nanoparticles per minute were prepared with different lipid:ethylvanillin ratios. The polydispersity index was ≈21% and the encapsulation efficiency ≈70%. It was found that the rate of ethylvanillin release was a function of the nanoparticle size, and lipid:ethylvanillin ratio. The internal structure of the lipid nanoparticles was studied by transmission electron microscopy which confirmed that the ethylvanillin was encapsulated within a stearic acid shell. Fourier transform infrared spectroscopy analysis indicated that the ethylvanillin had not been affected. Extensive analysis of the release of ethylvanillin was performed using several existing models and a new diffusive release model incorporating a tanh function. The results were consistent with a core-shell structure. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Building Strong Literacy Foundations, Birth to Three Years

    ERIC Educational Resources Information Center

    Makin, Laurie

    2005-01-01

    SHELLS (Support at Home for Early Language and LiteracieS) is a program designed for families with children from birth to three years of age. It has operated in Australia since 1998. Partnerships are at the heart of SHELLS. Parents know their children, their community, and what is culturally appropriate. Facilitators know the community, have…

  12. 76 FR 19951 - Submission for OMB Review; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-11

    ... Eggs. OMB Control Number: 0581-0128. Summary of Collection: The Agricultural Marketing Act of 1946 (60... provide a voluntary program for grading shell eggs on the basis of U.S. standards, grades, and weight classes. In addition, the shell egg industry and users of the products have requested that other types of...

  13. Workshop on Europa's Icy Shell: Past, Present, and Future

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This volume contains abstracts that have been accepted for presentation at the workshop on Europa's Icy Shell: Past, Present, and Future, February 6-8,2004, Houston, Texas. Administration and publications support for this meeting were provided by the staff of the Publications and Program Services Department at the Lunar and Planetary Institute.

  14. High coercivity in large exchange-bias Co/CoO-MgO nano-granular films

    NASA Astrophysics Data System (ADS)

    Ge, Chuan-Nan; Wan, Xian-Gang; Eric, Pellegrin; Hu, Zhi-Wei; Wen-I, Liang; Michael, Bruns; Zou, Wen-Qin; Du, You-Wei

    2015-03-01

    We present a detailed study on the magnetic coercivity of Co/CoO-MgO core-shell systems, which exhibits a large exchange bias due to an increase of the uncompensated spin density at the interface between the CoO shell and the metallic Co core by replacing Co by Mg within the CoO shell. We find a large magnetic coercivity of 7120 Oe around the electrical percolation threshold of the Co/CoO core/shell particles, while samples with a smaller or larger Co metal volume fraction show a considerably smaller coercivity. Thus, this study may lead to a route to improving the magnetic properties of artificial magnetic material in view of potential applications. Project supported by the National Basic Research Program of China (Grant No. 2012CB932304), the National Natural Science Foundation of China (Grant Nos. U1232210, 91122035, 11174124, and 11374137), the Natural Science Foundation of the Jiangsu Higher Education Institutions of China (Grant No. 14KJB140003), and the Priority Academic Program Development of Jiangsu Higher Education Institutions, China.

  15. General N=2 supersymmetric quantum mechanical model: Supervariable approach to its off-shell nilpotent symmetries

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

    Krishna, S., E-mail: skrishna.bhu@gmail.com; Shukla, A., E-mail: ashukla038@gmail.com; Malik, R.P., E-mail: rpmalik1995@gmail.com

    2014-12-15

    Using the supersymmetric (SUSY) invariant restrictions on the (anti-)chiral supervariables, we derive the off-shell nilpotent symmetries of the general one (0+1)-dimensional N=2 SUSY quantum mechanical (QM) model which is considered on a (1, 2)-dimensional supermanifold (parametrized by a bosonic variable t and a pair of Grassmannian variables θ and θ-bar with θ{sup 2}=(θ-bar){sup 2}=0,θ(θ-bar)+(θ-bar)θ=0). We provide the geometrical meanings to the two SUSY transformations of our present theory which are valid for any arbitrary type of superpotential. We express the conserved charges and Lagrangian of the theory in terms of the supervariables (that are obtained after the application of SUSYmore » invariant restrictions) and provide the geometrical interpretation for the nilpotency property and SUSY invariance of the Lagrangian for the general N=2 SUSY quantum theory. We also comment on the mathematical interpretation of the above symmetry transformations. - Highlights: • A novel method has been proposed for the derivation of N=2 SUSY transformations. • General N=2 SUSY quantum mechanical (QM) model with a general superpotential, is considered. • The above SUSY QM model is generalized onto a (1, 2)-dimensional supermanifold. • SUSY invariant restrictions are imposed on the (anti-)chiral supervariables. • Geometrical meaning of the nilpotency property is provided.« less

  16. Catalytic ignition of hydrogen and oxygen propellants

    NASA Technical Reports Server (NTRS)

    Zurawski, Robert L.; Green, James M.

    1988-01-01

    An experimental program was conducted to evaluate the catalytic ignition of gaseous hydrogen and oxygen propellants. Shell 405 granular catalyst and a monolithic sponge catalyst were tested. Mixture ratio, mass flow rate, propellant temperature, and back pressure were varied parametrically in testing to determine the operational limits of the catalytic igniter. The test results show that the gaseous hydrogen and oxygen propellant combination can be ignited catalytically using Shell 405 catalyst over a wide range of mixture ratios, mass flow rates, and propellant injection temperatures. These operating conditions must be optimized to ensure reliable ignition for an extended period of time. A cyclic life of nearly 2000, 2 sec pulses at nominal operating conditions was demonstrated with the catalytic igniter. The results of the experimental program and the established operational limits for a catalytic igniter using the Shell 405 catalysts are presented.

  17. Catalytic ignition of hydrogen and oxygen propellants

    NASA Technical Reports Server (NTRS)

    Zurawski, Robert L.; Green, James M.

    1988-01-01

    An experimental program was conducted to evaluate the catalytic ignition of gaseous hydrogen and oxygen propellants. Shell 405 granular catalyst and a monolithic sponge catalyst were tested. Mixture ratio, mass flow rate, propellant temperature, and back pressure were varied parametrically in testing to determine the operational limits of the catalytic igniter. The test results show that the gaseous hydrogen and oxygen propellant combination can be ignited catalytically using Shell 405 catalyst over a wide range of mixture ratios, mass flow rates, and propellant injection temperatures. These operating conditions must be optimized to ensure reliable ignition for an extended period of time. A cyclic life of nearly 2000, 2 sec pulses at nominal operating conditions was demonstrated with the catalytic igniter. The results of the experimental program and the established operational limits for a catalytic igniter using the Shell 405 catalyst are presented.

  18. Design, fabrication, and test of a Graphite/Epoxy Metering Shell (GEMS). [for the large space telescope

    NASA Technical Reports Server (NTRS)

    1975-01-01

    A program to design, fabricate and test a dimensionally stable metering structure in support of the large space telescope (LST) program is discussed. Graphite/epoxy was the material selected as the only viable candidate material which can meet the stringent thermal expansion criteria of the LST. A metering shell was designed and fabricated, with emphasis on dimensional stability in conjunction with low cost. Thermal expansion test coupons extracted from the layups of the skin panels indicated the attainment of a coefficient of thermal expansion of 0.0666 micrometers/m K. Subsequent thermal vacuum chamber tests on the complete metering shell demonstrated an expansion of the 2.95-meter overall length of 0.27 micrometers/K. Static and dynamics tests, which demonstrated adequacy with respect to limit loads and stiffness, were also accomplished.

  19. Synthesis and Characterization of SiO2@Y2MoO6:Eu3+ Core-Shell Structured Spherical Phosphors by Sol-Gel Process.

    PubMed

    Li, G Z; Liu, F H; Chu, Z S; Wu, D M; Yang, L B; Li, J L; Wang, M N; Wang, Z L

    2016-04-01

    SiO2@Y2MoO6:Eu3+ core-shell phosphors were prepared by the sol-gel process. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectra (EDS), transmission electron microscopy (TEM), photoluminescence (PL) spectra as well as kinetic decays were used to characterize the resulting SiO2@Y2MoO6:Eu3+ core-shell phosphors. The XRD results demonstrated that the Y2MoO6:Eu3+ layers on the SiO2 spheres crystallized after being annealed at 700 °C and the crystallinity increased with raising the annealing temperature. The obtained core-shell phosphors have spherical shape with narrow size distribution (average size ca. 640 nm), non-agglomeration, and smooth surface. The thickness of the Y2MoO6:Eu3+ shells on the SiO2 cores could be easily tailored by varying the number of deposition cycles (70 nm for four deposition cycles). The Eul+ shows a strong PL emission (dominated by 5D0-7F2 red emission at 614 nm) under the excitation of 347 nm UV light. The PL intensity of Eu3+ increases with increasing the annealing temperature and the number of coating cycles.

  20. A triangular prism solid and shell interactive mapping element for electromagnetic sheet metal forming process

    NASA Astrophysics Data System (ADS)

    Cui, Xiangyang; Li, She; Feng, Hui; Li, Guangyao

    2017-05-01

    In this paper, a novel triangular prism solid and shell interactive mapping element is proposed to solve the coupled magnetic-mechanical formulation in electromagnetic sheet metal forming process. A linear six-node "Triprism" element is firstly proposed for transient eddy current analysis in electromagnetic field. In present "Triprism" element, shape functions are given explicitly, and a cell-wise gradient smoothing operation is used to obtain the gradient matrices without evaluating derivatives of shape functions. In mechanical field analysis, a shear locking free triangular shell element is employed in internal force computation, and a data mapping method is developed to transfer the Lorentz force on solid into the external forces suffered by shell structure for dynamic elasto-plasticity deformation analysis. Based on the deformed triangular shell structure, a "Triprism" element generation rule is established for updated electromagnetic analysis, which means inter-transformation of meshes between the coupled fields can be performed automatically. In addition, the dynamic moving mesh is adopted for air mesh updating based on the deformation of sheet metal. A benchmark problem is carried out for confirming the accuracy of the proposed "Triprism" element in predicting flux density in electromagnetic field. Solutions of several EMF problems obtained by present work are compared with experiment results and those of traditional method, which are showing excellent performances of present interactive mapping element.

  1. Cloning and expression patterns of two Smad genes during embryonic development and shell formation of the Pacific oyster Crassostrea gigas

    NASA Astrophysics Data System (ADS)

    Liu, Gang; Huan, Pin; Liu, Baozhong

    2014-11-01

    Increasing evidence indicates that transforming growth factor β (TGF-β) signaling pathways play many important roles in the early development of mollusks. However, limited information is known concerning their detailed mechanisms. Here, we describe the identification, cloning and characterization of two Smad genes, the key components of TGF-β signaling pathways, from the Pacific oyster Crassostrea gigas. Sequence analysis of the two genes, designated as cgi-smad1/ 5/ 8 and cgi-smad4, revealed conserved functional characteristics. The two genes were widely expressed in embryos and larvae, suggesting multiple roles in the early development of C. gigas. The mRNA of the two genes aggregated in the D quadrant and cgi-smad4 was highly expressed on the dorsal side of the gastrula, indicating that TGF-β signaling pathways may be involved in dorsoventral patterning in C. gigas. Furthermore, high expression levels of the two genes in the shell fields of embryos at different stages suggested important roles for TGF-β signaling pathways in particular phases of shell development, including the formation of the initial shell field and the biomineralization of larval shells. The results of this study provide fundamental support for elucidating how TGF-β signaling pathways participate in the early development of bivalve mollusks, and suggest that further work is warranted to this end.

  2. Synthesis and functionalization of NaGdF4:Yb,Er@NaGdF4 core-shell nanoparticles for possible application as multimodal contrast agents.

    PubMed

    Baziulyte-Paulaviciene, Dovile; Karabanovas, Vitalijus; Stasys, Marius; Jarockyte, Greta; Poderys, Vilius; Sakirzanovas, Simas; Rotomskis, Ricardas

    2017-01-01

    Upconverting nanoparticles (UCNPs) are promising, new imaging probes capable of serving as multimodal contrast agents. In this study, monodisperse and ultrasmall core and core-shell UCNPs were synthesized via a thermal decomposition method. Furthermore, it was shown that the epitaxial growth of a NaGdF 4 optical inert layer covering the NaGdF 4 :Yb,Er core effectively minimizes surface quenching due to the spatial isolation of the core from the surroundings. The mean diameter of the synthesized core and core-shell nanoparticles was ≈8 and ≈16 nm, respectively. Hydrophobic UCNPs were converted into hydrophilic ones using a nonionic surfactant Tween 80. The successful coating of the UCNPs by Tween 80 has been confirmed by Fourier transform infrared (FTIR) spectroscopy. Scanning electron microscopy (SEM), powder X-ray diffraction (XRD), photoluminescence (PL) spectra and magnetic resonance (MR) T1 relaxation measurements were used to characterize the size, crystal structure, optical and magnetic properties of the core and core-shell nanoparticles. Moreover, Tween 80-coated core-shell nanoparticles presented enhanced optical and MR signal intensity, good colloidal stability, low cytotoxicity and nonspecific internalization into two different breast cancer cell lines, which indicates that these nanoparticles could be applied as an efficient, dual-modal contrast probe for in vivo bioimaging.

  3. Preparation, characterization, and optical properties of gold, silver, and gold-silver alloy nanoshells having silica cores.

    PubMed

    Kim, Jun-Hyun; Bryan, William W; Lee, T Randall

    2008-10-07

    This report describes the structural and optical properties of a series of spherical shell/core nanoparticles in which the shell is comprised of a thin layer of gold, silver, or gold-silver alloy, and the core is comprised of a monodispersed silica nanoparticle. The silica core particles were prepared using the Stöber method, functionalized with terminal amine groups, and then seeded with small gold nanoparticles (approximately 2 nm in diameter). The gold-seeded silica particles were coated with a layer of gold, silver, or gold-silver alloy via solution-phase reduction of an appropriate metal ion or mixture of metal ions. The size, morphology, and elemental composition of the composite nanoparticles were characterized by field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, thermal gravimetric analysis (TGA), dynamic light scattering (DLS), and transmission electron microscopy (TEM). The optical properties of the nanoparticles were analyzed by UV-vis spectroscopy, which showed strong absorptions ranging from 400 nm into the near-IR region, where the position of the plasmon band reflected not only the thickness of the metal shell, but also the nature of the metal comprising the shell. Importantly, the results demonstrate a new strategy for tuning the position of the plasmon resonance without having to vary the core diameter or the shell thickness.

  4. Elastic stability of cylindrical shells with soft elastic cores: Biomimicking natural tubular structures

    NASA Astrophysics Data System (ADS)

    Karam, Gebran Nizar

    1994-01-01

    Thin walled cylindrical shell structures are widespread in nature: examples include plant stems, porcupine quills, and hedgehog spines. All have an outer shell of almost fully dense material supported by a low density, cellular core. In nature, all are loaded in combination of axial compression and bending: failure is typically by buckling. Natural structures are often optimized. Here we have analyzed the elastic buckling of a thin cylindrical shell supported by an elastic core to show that this structural configuration achieves significant weight saving over a hollow cylinder. The results of the analysis are compared with data from an extensive experimental program on uniaxial compression and four point bending tests on silicone rubber shells with and without compliant foam cores. The analysis describes the results of the mechanical tests well. Characterization of the microstructures of several natural tubular structures with foamlike cores (plant stems, quills, and spines) revealed them to be close to the optimal configurations predicted by the analytical model. Biomimicking of natural cylindrical shell structures and evolutionary design processes may offer the potential to increase the mechanical efficiency of engineering cylindrical shells.

  5. PAREMD: A parallel program for the evaluation of momentum space properties of atoms and molecules

    NASA Astrophysics Data System (ADS)

    Meena, Deep Raj; Gadre, Shridhar R.; Balanarayan, P.

    2018-03-01

    The present work describes a code for evaluating the electron momentum density (EMD), its moments and the associated Shannon information entropy for a multi-electron molecular system. The code works specifically for electronic wave functions obtained from traditional electronic structure packages such as GAMESS and GAUSSIAN. For the momentum space orbitals, the general expression for Gaussian basis sets in position space is analytically Fourier transformed to momentum space Gaussian basis functions. The molecular orbital coefficients of the wave function are taken as an input from the output file of the electronic structure calculation. The analytic expressions of EMD are evaluated over a fine grid and the accuracy of the code is verified by a normalization check and a numerical kinetic energy evaluation which is compared with the analytic kinetic energy given by the electronic structure package. Apart from electron momentum density, electron density in position space has also been integrated into this package. The program is written in C++ and is executed through a Shell script. It is also tuned for multicore machines with shared memory through OpenMP. The program has been tested for a variety of molecules and correlated methods such as CISD, Møller-Plesset second order (MP2) theory and density functional methods. For correlated methods, the PAREMD program uses natural spin orbitals as an input. The program has been benchmarked for a variety of Gaussian basis sets for different molecules showing a linear speedup on a parallel architecture.

  6. Increasing dimension of structures by 4D printing shape memory polymers via fused deposition modeling

    NASA Astrophysics Data System (ADS)

    Hu, G. F.; Damanpack, A. R.; Bodaghi, M.; Liao, W. H.

    2017-12-01

    The main objective of this paper is to introduce a 4D printing method to program shape memory polymers (SMPs) during fabrication process. Fused deposition modeling (FDM) as a filament-based printing method is employed to program SMPs during depositing the material. This method is implemented to fabricate complicated polymeric structures by self-bending features without need of any post-programming. Experiments are conducted to demonstrate feasibility of one-dimensional (1D)-to 2D and 2D-to-3D self-bending. It is shown that 3D printed plate structures can transform into masonry-inspired 3D curved shell structures by simply heating. Good reliability of SMP programming during printing process is also demonstrated. A 3D macroscopic constitutive model is established to simulate thermo-mechanical features of the printed SMPs. Governing equations are also derived to simulate programming mechanism during printing process and shape change of self-bending structures. In this respect, a finite element formulation is developed considering von-Kármán geometric nonlinearity and solved by implementing iterative Newton-Raphson scheme. The accuracy of the computational approach is checked with experimental results. It is demonstrated that the theoretical model is able to replicate the main characteristics observed in the experiments. This research is likely to advance the state of the art FDM 4D printing, and provide pertinent results and computational tool that are instrumental in design of smart materials and structures with self-bending features.

  7. A software architecture for automating operations processes

    NASA Technical Reports Server (NTRS)

    Miller, Kevin J.

    1994-01-01

    The Operations Engineering Lab (OEL) at JPL has developed a software architecture based on an integrated toolkit approach for simplifying and automating mission operations tasks. The toolkit approach is based on building adaptable, reusable graphical tools that are integrated through a combination of libraries, scripts, and system-level user interface shells. The graphical interface shells are designed to integrate and visually guide a user through the complex steps in an operations process. They provide a user with an integrated system-level picture of an overall process, defining the required inputs and possible output through interactive on-screen graphics. The OEL has developed the software for building these process-oriented graphical user interface (GUI) shells. The OEL Shell development system (OEL Shell) is an extension of JPL's Widget Creation Library (WCL). The OEL Shell system can be used to easily build user interfaces for running complex processes, applications with extensive command-line interfaces, and tool-integration tasks. The interface shells display a logical process flow using arrows and box graphics. They also allow a user to select which output products are desired and which input sources are needed, eliminating the need to know which program and its associated command-line parameters must be executed in each case. The shells have also proved valuable for use as operations training tools because of the OEL Shell hypertext help environment. The OEL toolkit approach is guided by several principles, including the use of ASCII text file interfaces with a multimission format, Perl scripts for mission-specific adaptation code, and programs that include a simple command-line interface for batch mode processing. Projects can adapt the interface shells by simple changes to the resources configuration file. This approach has allowed the development of sophisticated, automated software systems that are easy, cheap, and fast to build. This paper will discuss our toolkit approach and the OEL Shell interface builder in the context of a real operations process example. The paper will discuss the design and implementation of a Ulysses toolkit for generating the mission sequence of events. The Sequence of Events Generation (SEG) system provides an adaptable multimission toolkit for producing a time-ordered listing and timeline display of spacecraft commands, state changes, and required ground activities.

  8. 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.

  9. PolyCheck: Dynamic Verification of Iteration Space Transformations on Affine Programs

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

    Bao, Wenlei; Krishnamoorthy, Sriram; Pouchet, Louis-noel

    2016-01-11

    High-level compiler transformations, especially loop transformations, are widely recognized as critical optimizations to restructure programs to improve data locality and expose parallelism. Guaranteeing the correctness of program transformations is essential, and to date three main approaches have been developed: proof of equivalence of affine programs, matching the execution traces of programs, and checking bit-by-bit equivalence of the outputs of the programs. Each technique suffers from limitations in either the kind of transformations supported, space complexity, or the sensitivity to the testing dataset. In this paper, we take a novel approach addressing all three limitations to provide an automatic bug checkermore » to verify any iteration reordering transformations on affine programs, including non-affine transformations, with space consumption proportional to the original program data, and robust to arbitrary datasets of a given size. We achieve this by exploiting the structure of affine program control- and data-flow to generate at compile-time lightweight checker code to be executed within the transformed program. Experimental results assess the correctness and effectiveness of our method, and its increased coverage over previous approaches.« less

  10. Monodisperse Metal-Organic Framework Nanospheres with Encapsulated Core-Shell Nanoparticles Pt/Au@Pd@{Co2(oba)4(3-bpdh)2}4H2O for the Highly Selective Conversion of CO2 to CO.

    PubMed

    Zhao, Xi; Xu, Haitao; Wang, XiaoXiao; Zheng, Zhizhong; Xu, Zhenliang; Ge, Jianping

    2018-05-02

    A new microporous metal-organic framework (MOF) with formula {Co 2 (oba) 4 (3-bpdh) 2 }4H 2 O [oba = 4,4'-oxybis(benzoic acid); 3-bpdh = N, N'-bis-(1-pyridine-3-yl-ethylidene)-hydrazine] was assembled, and its morphology was found to undergo a microrod-to-nanosphere transformation with temperature variation. Core-shell Au@Pd functional nanoparticles (NPs) were successfully encapsulated in the center of the monodisperse nanospheres, and Pt NPs were well-dispersed and fully immobilized on the surface of Au@Pd@1Co to build the Pt/Au@Pd@1Co composites, which exhibited NPs catalytic activity for the reverse water gas shift reaction. The core-shell Au@Pd NPs in MOF significantly enchanced the CO selectivity of the catalyst, and the Pt NP loading on the surface of the nanosphere afforded a desirable CO 2 conversion.

  11. Catalytic activity in lithium-treated core–shell MoO x/MoS 2 nanowires

    DOE PAGES

    Cummins, Dustin R.; Martinez, Ulises; Kappera, Rajesh; ...

    2015-09-22

    Significant interest has grown in the development of earth-abundant and efficient catalytic materials for hydrogen generation. Layered transition metal dichalcogenides present opportunities for efficient electrocatalytic systems. Here, we report the modification of 1D MoO x/MoS 2 core–shell nanostructures by lithium intercalation and the corresponding changes in morphology, structure, and mechanism of H 2 evolution. The 1D nanowires exhibit significant improvement in H 2 evolution properties after lithiation, reducing the hydrogen evolution reaction (HER) onset potential by ~50 mV and increasing the generated current density by ~600%. The high electrochemical activity in the nanowires results from disruption of MoS 2 layersmore » in the outer shell, leading to increased activity and concentration of defect sites. This is in contrast to the typical mechanism of improved catalysis following lithium exfoliation, i.e., crystal phase transformation. As a result, these structural changes are verified by a combination of Raman and X-ray photoelectron spectroscopy (XPS).« less

  12. Structures of small Pd Pt bimetallic clusters by Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Cheng, Daojian; Huang, Shiping; Wang, Wenchuan

    2006-11-01

    Segregation phenomena of Pd-Pt bimetallic clusters with icosahedral and decahedral structures are investigated by using Monte Carlo method based on the second-moment approximation of the tight-binding (TB-SMA) potentials. The simulation results indicate that the Pd atoms generally lie on the surface of the smaller clusters. The three-shell onion-like structures are observed in 55-atom Pd-Pt bimetallic clusters, in which a single Pd atom is located in the center, and the Pt atoms are in the middle shell, while the Pd atoms are enriched on the surface. With the increase of Pd mole fraction in 55-atom Pd-Pt bimetallic clusters, the Pd atoms occupy the vertices of clusters first, then edge and center sites, and finally the interior shell. It is noticed that some decahedral structures can be transformed into the icosahedron-like structure at 300 and 500 K. Comparisons are made with previous experiments and theoretical studies of Pd-Pt bimetallic clusters.

  13. Fabrication of hierarchical core-shell polydopamine@MgAl-LDHs composites for the efficient enrichment of radionuclides

    NASA Astrophysics Data System (ADS)

    Zhu, Kairuo; Lu, Songhua; Gao, Yang; Zhang, Rui; Tan, Xiaoli; Chen, Changlun

    2017-02-01

    Novel hierarchical core/shell structured polydopamine@MgAl-layered double hydroxides (PDA@MgAl-LDHs) composites involving MgAl-layered double hydroxide shells and PDA cores were fabricated thought one-pot coprecipitation assembly and methodically characterized by X-ray diffraction, Fourier transformed infrared spectroscopy, scanning/transmission electron microscopy, selected area electron diffraction, elemental mapping, thermogravimetric analysis and X-ray photoelectron spectroscopy technologies. U(VI) and Eu(III) sorption experiments showed that the PDA@MgAl-LDHs exhibited higher sorption ability with a maximum sorption capacity of 142.86 and 76.02 mg/g at 298 K and pH 4.5, respectively. More importantly, according to XPS analyses, U(VI) and Eu(III) were sorbed on PDA@MgAl-LDHs via oxygen-containing functional groups, and the chemical affinity of U(VI) by oxygen-containing functional groups is higher than that of Eu(III). These observations show great expectations in the enrichment of radionuclides from aquatic environments by PDA@MgAl-LDHs.

  14. Jingle-bell-shaped ferrite hollow sphere with a noble metal core: Simple synthesis and their magnetic and antibacterial properties

    NASA Astrophysics Data System (ADS)

    Li, Siheng; Wang, Enbo; Tian, Chungui; Mao, Baodong; Kang, Zhenhui; Li, Qiuyu; Sun, Guoying

    2008-07-01

    In this paper, a simple strategy is developed for rational fabrication of a class of jingle-bell-shaped hollow structured nanomaterials marked as Ag@ MFe 2O 4 ( M=Ni, Co, Mg, Zn), consisting of ferrite hollow shells and metal nanoparticle cores, using highly uniform colloidal Ag@C microspheres as template. The final composites were obtained by direct adsorption of metal cations Fe 3+ and M 2+ on the surface of the Ag@C spheres followed by calcination process to remove the middle carbon shell and transform the metal ions into pure phase ferrites. The as-prepared composites were characterized by X-ray photoelectron spectroscopy (XPS), energy-dispersive X-ray analysis (EDX), X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-vis spectroscopy and SQUID magnetometer. The results showed that the composites possess the magnetic property of the ferrite shell and the optical together with antibacterial property of the Ag core.

  15. Nanoscale Transforming Mineral Phases in Fresh Nacre

    DOE PAGES

    DeVol, Ross T.; Sun, Chang-Yu; Marcus, Matthew A.; ...

    2015-09-24

    Nacre, or mother-of-pearl, the iridescent inner layer of many mollusk shells, is a biomineral lamellar composite of aragonite (CaCO 3) and organic sheets. Biomineralization frequently occurs via transient amorphous precursor phases, crystallizing into the final stable biomineral. In nacre, despite extensive attempts, amorphous calcium carbonate (ACC) precursors have remained elusive. They were inferred from non-nacre-forming larval shells, or from a residue of amorphous material surrounding mature gastropod nacre tablets, and have only once been observed in bivalve nacre. Here we present the first direct observation of ACC precursors to nacre formation, obtained from the growth front of nacre in gastropodmore » shells from red abalone (Haliotis rufescens), using synchrotron spectromicroscopy. Surprisingly, the abalone nacre data show the same ACC phases that are precursors to calcite (CaCO 3) formation in sea urchin spicules, and not proto-aragonite or poorly crystalline aragonite (pAra), as expected for aragonitic nacre. In contrast, we find pAra in coral.« less

  16. Thermal and catalytic slow pyrolysis of Calophyllum inophyllum fruit shell.

    PubMed

    Alagu, R M; Sundaram, E Ganapathy; Natarajan, E

    2015-10-01

    Pyrolysis of Calophyllum inophyllum shell was performed in a fixed bed pyrolyser to produce pyrolytic oil. Both thermal (without catalysts) and catalytic pyrolysis process were conducted to investigate the effect of catalysts on pyrolysis yield and pyrolysis oil characteristics. The yield of pyrolytic oil through thermal pyrolysis was maximum (41% wt) at 425 °C for particle size of 1.18 mm and heating rate of 40 °C/min. In catalytic pyrolysis the pyrolytic oil yield was maximum (45% wt) with both zeolite and kaolin catalysts followed by Al2O3 catalyst (44% wt). The functional groups and chemical components present in the pyrolytic oil are identified by Fourier Transform Infrared Spectroscopy (FT-IR) and Gas Chromatography-Mass Spectrometry (GC-MS) techniques. This study found that C. inophyllum shell is a potential new green energy source and that the catalytic pyrolysis process using zeolite catalyst improves the calorific value and acidity of the pyrolytic oil. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. A Comparative study of microwave-induced pyrolysis of lignocellulosic and algal biomass.

    PubMed

    Wang, Nan; Tahmasebi, Arash; Yu, Jianglong; Xu, Jing; Huang, Feng; Mamaeva, Alisa

    2015-08-01

    Microwave (MW) pyrolysis of algal and lignocellulosic biomass samples were studied using a modified domestic oven. The pyrolysis temperature was recorded continuously by inserting a thermocouple into the samples. Temperatures as high as 1170 and 1015°C were achieved for peanut shell and Chlorella vulgaris. The activation energy for MW pyrolysis was calculated by Coats-Redfern method and the values were 221.96 and 214.27kJ/mol for peanut shell and C. vulgaris, respectively. Bio-oil yields reached to 27.7wt.% and 11.0wt.% during pyrolysis of C. vulgaris and peanut shell, respectively. The bio-oil samples from pyrolysis were analyzed by a gas chromatography-mass spectrometry (GC-MS). Bio-oil from lignocellulosic biomass pyrolysis contained more phenolic compounds while that from microalgae pyrolysis contained more nitrogen-containing species. Fourier transform infrared spectroscopy (FTIR) analysis results showed that concentration of OH, CH, CO, OCH3, and CO functional groups in char samples decreased significantly after pyrolysis. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Removal of methyl orange and methylene blue dyes from aqueous solution using lala clam (Orbicularia orbiculata) shell

    NASA Astrophysics Data System (ADS)

    Eljiedi, Arwa Alseddig Ahmed; Kamari, Azlan

    2017-05-01

    Textile effluents are considered as potential sources of water pollution because they contain toxic dyes. In the present study, lala clam shell was used as an alternative low-cost adsorbent for the removal of two harmful dyes, namely methyl orange (MO) and methylene blue (MB) from aqueous solution. Batch adsorption studies were carried out by varying experimental parameters such as solution pH, initial concentration and adsorbent dosage. The optimum pH values for MO and MB removal were pH 2.0 and pH 8.0, respectively. At an initial MO and MB concentration of 20 mg/L, the maximum removal percentage of MO and MB were 18.9 % and 81.3 %, respectively. The adsorption equilibrium data were correlated with both Langmuir and Freundlich isotherm models. The biomass adsorbent was characterised using Field Emission Scanning Electron Microscope (FESEM) and Fourier Transform Infrared Spectrometer (FTIR). Results from this study suggest that lala clam shell, a fishery waste, can be beneficial for water treatment.

  19. Effects of Alloying Elements on the Formation of Core-Shell-Structured Reinforcing Particles during Heating of Al–Ti Powder Compacts

    PubMed Central

    Chen, Tijun; Gao, Min; Tong, Yunqi

    2018-01-01

    To prepare core-shell-structured Ti@compound particle (Ti@compoundp) reinforced Al matrix composite via powder thixoforming, the effects of alloying elements, such as Si, Cu, Mg, and Zn, on the reaction between Ti powders and Al melt, and the microstructure of the resulting reinforcements were investigated during heating of powder compacts at 993 K (720 °C). Simultaneously, the situations of the reinforcing particles in the corresponding semisolid compacts were also studied. Both thermodynamic analysis and experiment results all indicate that Si participated in the reaction and promoted the formation of Al–Ti–Si ternary compounds, while Cu, Mg, and Zn did not take part in the reaction and facilitated Al3Ti phase to form to different degrees. The first-formed Al–Ti–Si ternary compound was τ1 phase, and then it gradually transformed into (Al,Si)3Ti phase. The proportion and existing time of τ1 phase all increased as the Si content increased. In contrast, Mg had the largest, Cu had the least, and Si and Zn had an equivalent middle effect on accelerating the reaction. The thicker the reaction shell was, the larger the stress generated in the shell was, and thus the looser the shell microstructure was. The stress generated in (Al,Si)3Ti phase was larger than that in τ1 phase, but smaller than that in Al3Ti phase. So, the shells in the Al–Ti–Si system were more compact than those in the other systems, and Si element was beneficial to obtain thick and compact compound shells. Most of the above results were consistent to those in the semisolid state ones except the product phase constituents in the Al–Ti–Mg system and the reaction rate in the Al–Ti–Zn system. More importantly, the desirable core-shell structured Ti@compoundp was only achieved in the semisolid Al–Ti–Si system. PMID:29342946

  20. Effects of Alloying Elements on the Formation of Core-Shell-Structured Reinforcing Particles during Heating of Al-Ti Powder Compacts.

    PubMed

    Chen, Tijun; Gao, Min; Tong, Yunqi

    2018-01-15

    To prepare core-shell-structured Ti@compound particle (Ti@compound p ) reinforced Al matrix composite via powder thixoforming, the effects of alloying elements, such as Si, Cu, Mg, and Zn, on the reaction between Ti powders and Al melt, and the microstructure of the resulting reinforcements were investigated during heating of powder compacts at 993 K (720 °C). Simultaneously, the situations of the reinforcing particles in the corresponding semisolid compacts were also studied. Both thermodynamic analysis and experiment results all indicate that Si participated in the reaction and promoted the formation of Al-Ti-Si ternary compounds, while Cu, Mg, and Zn did not take part in the reaction and facilitated Al₃Ti phase to form to different degrees. The first-formed Al-Ti-Si ternary compound was τ1 phase, and then it gradually transformed into (Al,Si)₃Ti phase. The proportion and existing time of τ1 phase all increased as the Si content increased. In contrast, Mg had the largest, Cu had the least, and Si and Zn had an equivalent middle effect on accelerating the reaction. The thicker the reaction shell was, the larger the stress generated in the shell was, and thus the looser the shell microstructure was. The stress generated in (Al,Si)₃Ti phase was larger than that in τ1 phase, but smaller than that in Al₃Ti phase. So, the shells in the Al-Ti-Si system were more compact than those in the other systems, and Si element was beneficial to obtain thick and compact compound shells. Most of the above results were consistent to those in the semisolid state ones except the product phase constituents in the Al-Ti-Mg system and the reaction rate in the Al-Ti-Zn system. More importantly, the desirable core-shell structured Ti@compound p was only achieved in the semisolid Al-Ti-Si system.

  1. Impact of off-diagonal cross-shell interaction on 14C

    NASA Astrophysics Data System (ADS)

    Yuan, Cen-Xi

    2017-10-01

    A shell-model investigation is performed to show the impact on the structure of 14C from the off-diagonal cross-shell interaction, 〈pp|V|sdsd〉, which represents the mixing between the 0 and 2ħω configurations in the psd model space. The observed levels of the positive states in 14C can be nicely described in 0-4ħω or a larger model space through the well defined Hamiltonians, YSOX and WBP, with a reduction of the strength of the 〈pp|V|sdsd〉 interaction in the latter. The observed B(GT) values for 14C can be generally described by YSOX, while WBP and their modifications of the 〈pp|V|sdsd〉 interaction fail for some values. Further investigation shows the effect of such interactions on the configuration mixing and occupancy. The present work shows examples of how the off-diagonal cross-shell interaction strongly drives the nuclear structure. Supported by National Natural Science Foundation of China (11305272), Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund (the second phase), the Guangdong Natural Science Foundation (2014A030313217), the Pearl River S&T Nova Program of Guangzhou (201506010060), the Tip-top Scientific and Technical Innovative Youth Talents of Guangdong special support program (2016TQ03N575), and the Fundamental Research Funds for the Central Universities (17lgzd34)

  2. NMRPipe: a multidimensional spectral processing system based on UNIX pipes.

    PubMed

    Delaglio, F; Grzesiek, S; Vuister, G W; Zhu, G; Pfeifer, J; Bax, A

    1995-11-01

    The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks.

  3. Analysis of thermal stresses and metal movement during welding

    NASA Technical Reports Server (NTRS)

    Muraki, T.; Pattee, F. M.; Masubuchi, K.

    1974-01-01

    Finite element computer programs were developed to determine thermal stresses and metal movement during butt welding of flat plates and bead-on-plate welding along the girth of a cylindrical shell. Circular cylindrical shells of 6061 aluminum alloy were used for the tests. Measurements were made of changes in temperature and thermal strains during the welding process.

  4. A new class of sonic composites

    NASA Astrophysics Data System (ADS)

    Munteanu, Ligia; Chiroiu, Veturia; Donescu, Ştefania; Brişan, Cornel

    2014-03-01

    Transformation acoustics opens a new avenue towards the architecture, modeling and simulation of a new class of sonic composites with scatterers made of various materials and having various shapes embedded in an epoxy matrix. The design of acoustic scatterers is based on the property of Helmholtz equations to be invariant under a coordinate transformation, i.e., a specific spatial compression is equivalent to a new material in a new space. In this paper, the noise suppression for a wide full band-gap of frequencies is discussed for spherical shell scatterers made of auxetic materials (materials with negative Poisson's ratio). The original domain consists of spheres made from conventional foams with positive Poisson's ratio. The spatial compression is controlled by the coordinate transformation, and leads to an equivalent domain filled with an auxetic material. The coordinate transformation is strongly supported by the manufacturing of auxetics which is based on the pore size reduction through radial compression molds.

  5. Coordinated scheduling for dynamic real-time systems

    NASA Technical Reports Server (NTRS)

    Natarajan, Swaminathan; Zhao, Wei

    1994-01-01

    In this project, we addressed issues in coordinated scheduling for dynamic real-time systems. In particular, we concentrated on design and implementation of a new distributed real-time system called R-Shell. The design objective of R-Shell is to provide computing support for space programs that have large, complex, fault-tolerant distributed real-time applications. In R-shell, the approach is based on the concept of scheduling agents, which reside in the application run-time environment, and are customized to provide just those resource management functions which are needed by the specific application. With this approach, we avoid the need for a sophisticated OS which provides a variety of generalized functionality, while still not burdening application programmers with heavy responsibility for resource management. In this report, we discuss the R-Shell approach, summarize the achievement of the project, and describe a preliminary prototype of R-Shell system.

  6. Analysis of shear buckling of cylindrical shells. II - Effects of combined loadings

    NASA Astrophysics Data System (ADS)

    Kokubo, Kunio; Nagashima, Hideaki; Takayanagi, Masaaki; Madokoro, Manabu; Mochizuki, Akira; Ikeuchi, Hisaaki

    1992-03-01

    Cylindrical shells subjected to lateral loads buckle in shear or bending buckling modes. The effects of combined loadings are investigated by developing a special-purpose FEM program using the 8-node isoparametric shell element. Three types of loading, lateral and axial loads, and pure bending moments are considered. For short cylindrical shells, shear buckling modes are dominant, but elephant-foot bulges take place with an increase in bending moments. Effects of axial loads on shear buckling and the elephant-foot bulge are investigated. In the case of shear buckling the axial load affects the buckling mode as well as the buckling load. For bending bucklings, the axial loads have a great effect on the buckling load.

  7. Hanford Double-Shell Tank Inspection Annual Report Calendar Year 2012

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

    Petermann, Tasha M.; Boomer, Kayle D.; Washenfelder, D. J.

    2013-12-02

    The double-shell tanks (DSTs) were constructed between 1968 and 1986. They will have exceeded their design life before the waste can be removed and trasferred to the Waste Treatment and Immobilization Plant for vitrification. The Double-Shell Tank Integrity Project has been established to evaluate tank aging, and ensure that each tank is structurally sound for continued use. This is the first issue of the Double-Shell Tank Inspection Annual Report. The purpose of this issue is to summarize the results of DST inspections conducted from the beginnng of the inspection program through the end of CY2012. Hereafter, the report will bemore » updated annually with summaries of the past year's DST inspection activities.« less

  8. Periodic organosilica hollow nanospheres as anode materials for lithium ion rechargeable batteries

    NASA Astrophysics Data System (ADS)

    Sasidharan, Manickam; Nakashima, Kenichi; Gunawardhana, Nanda; Yokoi, Toshiyuki; Ito, Masanori; Inoue, Masamichi; Yusa, Shin-Ichi; Yoshio, Masaki; Tatsumi, Takashi

    2011-11-01

    Polymeric micelles with core-shell-corona architecture have been found to be the efficient colloidal templates for synthesis of periodic organosilica hollow nanospheres over a broad pH range from acidic to alkaline media. In alkaline medium, poly (styrene-b-[3-(methacryloylamino)propyl] trimethylammonium chloride-b-ethylene oxide) (PS-PMAPTAC-PEO) micelles yield benzene-silica hollow nanospheres with molecular scale periodicity of benzene groups in the shell domain of hollow particles. Whereas, an acidic medium (pH 4) produces diverse hollow particles with benzene, ethylene, and a mixture of ethylene and dipropyldisulfide bridging functionalities using poly(styrene-b-2-vinyl pyridine-b-ethylene oxide) (PS-PVP-PEO) micelles. These hollow particles were thoroughly characterized by powder X-ray diffraction (XRD), dynamic light scattering (DLS), thermogravimetric analysis (TG/DTA), Fourier transformation infrared (FTIR) spectroscopy, transmission electron microscopy (TEM), magic angle spinning-nuclear magnetic resonance (29Si MAS NMR and 13CP-MAS NMR), Raman spectroscopy, and nitrogen adsorption/desorption analyses. The benzene-silica hollow nanospheres with molecular scale periodicity in the shell domain exhibit higher cycling performance of up to 300 cycles in lithium ion rechargeable batteries compared with micron-sized dense benzene-silica particles.Polymeric micelles with core-shell-corona architecture have been found to be the efficient colloidal templates for synthesis of periodic organosilica hollow nanospheres over a broad pH range from acidic to alkaline media. In alkaline medium, poly (styrene-b-[3-(methacryloylamino)propyl] trimethylammonium chloride-b-ethylene oxide) (PS-PMAPTAC-PEO) micelles yield benzene-silica hollow nanospheres with molecular scale periodicity of benzene groups in the shell domain of hollow particles. Whereas, an acidic medium (pH 4) produces diverse hollow particles with benzene, ethylene, and a mixture of ethylene and dipropyldisulfide bridging functionalities using poly(styrene-b-2-vinyl pyridine-b-ethylene oxide) (PS-PVP-PEO) micelles. These hollow particles were thoroughly characterized by powder X-ray diffraction (XRD), dynamic light scattering (DLS), thermogravimetric analysis (TG/DTA), Fourier transformation infrared (FTIR) spectroscopy, transmission electron microscopy (TEM), magic angle spinning-nuclear magnetic resonance (29Si MAS NMR and 13CP-MAS NMR), Raman spectroscopy, and nitrogen adsorption/desorption analyses. The benzene-silica hollow nanospheres with molecular scale periodicity in the shell domain exhibit higher cycling performance of up to 300 cycles in lithium ion rechargeable batteries compared with micron-sized dense benzene-silica particles. Electronic supplementary information (ESI) available: FTIR, Raman spectral data, additional TEM pictures, N2 adsorption and physical characteristics of hollow particles data, and cycling performance of dense silica particles. See DOI: 10.1039/c1nr10804b

  9. 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.

  10. Survival and growth of newly transformed Lampsilis cardium and Lampsilis siliquoidea in a flow-through, continuous feeding test system

    USGS Publications Warehouse

    Meinertz, Jeffery R.; Schreier, Theresa M.; Hess, Karina R.; Bartsch, Michelle

    2011-01-01

    A test system was evaluated for assessing chronic toxicity of waterborne chemicals with early life stage mussels. To determine if the test system could result in ≥80% survival in a control (unexposed) group, fat mucket mussels (Lampsilis siliquoidea Barnes, 1823) and plain pocketbook mussels (L. cardium Rafinesque, 1820) 1 day post transformation were stocked into test chambers (250 mL beakers, water volume, 200 mL, 21 °C, 40 mussels of 1 species per chamber) within a test system constructed for conducting chronic, continuous exposure, flow-through toxicity tests. The test system contained 60 chambers containing silica sand, 30 chambers with L. siliquoidea, and 30 with L. cardium. Each chamber in the continuous feeding system received 1 of 6 food types prepared with concentrated algal products. After 28 days, mussels were harvested from chambers to assess survival and growth. For L. siliquoidea, mean survival ranged from 34 to 80% and mean shell length ranged from 464 to 643 µm. For L. cardium, mean survival ranged from 12 to 66% and mean shell length ranged from 437 to 612 µm. The maximum mean growth rate for L. siliquoidea was 12.7 µm/d and for L. cardium was 11.8 µm/d. When offered a continuous diet of Nannochloropsis, Tetraselmis, and Chlorella for 28 days in the test system, the survival of 1 day post transformation L. siliquoidea was 80%. The test system can be easily enhanced with a pumping system continuously delivering test chemical to the test system's flow stream allowing for chronic toxicity tests with 1 day post transformation mussels.

  11. Volatile components and continental material of planets

    NASA Technical Reports Server (NTRS)

    Florenskiy, K. P.; Nikolayeva, O. V.

    1986-01-01

    It is shown that the continental material of the terrestrial planets varies in composition from planet to planet according to the abundances and composition of true volatiles (H20, CO2, etc.) in the outer shells of the planets. The formation of these shells occurs very early in a planet's evolution when the role of endogenous processes is indistinct and continental materials are subject to melting and vaporizing in the absence of an atmosphere. As a result, the chemical properties of continental materials are related not only to fractionation processes but also to meltability and volatility. For planets retaining a certain quantity of true volatile components, the chemical transformation of continental material is characterized by a close interaction between impact melting vaporization and endogeneous geological processes.

  12. Computation of transonic flow past projectiles at angle of attack

    NASA Technical Reports Server (NTRS)

    Reklis, R. P.; Sturek, W. B.; Bailey, F. R.

    1978-01-01

    Aerodynamic properties of artillery shell such as normal force and pitching moment reach peak values in a narrow transonic Mach number range. In order to compute these quantities, numerical techniques have been developed to obtain solutions to the three-dimensional transonic small disturbance equation about slender bodies at angle of attack. The computation is based on a plane relaxation technique involving Fourier transforms to partially decouple the three-dimensional difference equations. Particular care is taken to assure accurate solutions near corners found in shell designs. Computed surface pressures are compared to experimental measurements for circular arc and cone cylinder bodies which have been selected as test cases. Computed pitching moments are compared to range measurements for a typical projectile shape.

  13. Potentiality of uranium biosorption from nitric acid solutions using shrimp shells.

    PubMed

    Ahmed, S H; El Sheikh, E M; Morsy, A M A

    2014-08-01

    Biosorption has gained important credibility during recent years because of its good performance and low cost. This work is concerned with studying the potentiality of the chitin component of the shrimp shells for uranium biosorption from nitric acid liquid solutions. The structural characteristics of the working chitin have been determined via Fourier Transform Infrared Spectroscopy (FTIR). The surface morphology was examined using Scanning Electron Microscopy (SEM). The adsorption capacity of biomass was investigated experimentally. The influence of contact time, pH, metal ion concentration, solution volume to mass ratio and temperature were evaluated and the results were fitted using adsorption isotherm models. The kinetic of uranium biosorption was also investigated as well as biosorption thermodynamic. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. XNBR-grafted halloysite nanotube core-shell as a potential compatibilizer for immiscible polymer systems

    NASA Astrophysics Data System (ADS)

    Paran, S. M. R.; Naderi, G.; Ghoreishy, M. H. R.

    2016-09-01

    Halloysite nanotubes (HNTs) grafted with carboxylated nitrile byutadiene rubber (XNBR) were synthesized via a sol-gel method. The HNTs as an inorganic cores were pre-treated with 3-Glycidoxypropyl trimethoxysilane, then successfully coated with the XNBR as an organic shell. The properties of XNBR-grafted HNTs were characterized by transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The results suggested that the XNBR grafted to the surfaces of HNTs successfully. Then the TPE nanocomposites based on polyamide-6 (PA6) and nitrile butadiene rubber (NBR) containing various XNBR-grafted and pristine HNTs were prepared via a direct melt mixing method. The morphology, mechanical, dynamic mechanical and rheological properties of the prepared TPE nanocomposites were investigated. The results show that the XNBR-grafted HNTs can effectively improve the morphology and mechanical properties of the PA6/NBR TPEs. The morphology study of the prepared nanocomposites show that the effect of XNBR-grafted HNTs on the size reduction of NBR phase is markedly more effective than the pristine HNTs and rose by 50% in the same concentrations. Mechanical measurements show that the Young's modulus of the TPE nanocomposites rose by 60% in just 7 wt% of XNBR-grafted HNT loading. The results indicate that the introduction of HNT/XNBR core-shells into the PA6/NBR TPEs can enhances the interfacial interactions and provides a more fine rubber phase morphology and controlled mechanical properties in comparison with the accordingly TPE nanocomposites containing pristine HNTs.

  15. Surface characterization of ZnO/ZnMn{sub 2}O{sub 4} and Cu/Mn{sub 3}O{sub 4} powders obtained by thermal degradation of heterobimetallic complexes

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

    Barrault, Joeel, E-mail: joel.barrault@univ-poitiers.fr; Makhankova, Valeriya G., E-mail: leram@univ.kiev.ua; Khavryuchenko, Oleksiy V.

    2012-03-15

    From the selective transformation of the heterometallic (Zn-Mn or Cu-Mn) carboxylate complexes with 2,2 Prime -bipyridyl by thermal degradation at relatively low (350 Degree-Sign C) temperature, it was possible to get either well defined spinel ZnMn{sub 2}O{sub 4} over zinc oxide or well dispersed copper particles surrounded by a manganese oxide (Mn{sub 3}O{sub 4}) in a core-shell like structure. Morphology of the powder surface was examined by scanning electron microscopy with energy dispersive X-ray microanalysis (SEM/EDX). Surface composition was determined by X-ray photoelectron spectroscopy (XPS). Specific surface of the powders by nitrogen adsorption was found to be 33{+-}0.2 and 9{+-}0.06more » m{sup 2} g{sup -1} for Zn-Mn and Cu-Mn samples, respectively, which is comparable to those of commercial products. - Graphical abstract: From the selective transformation of heterometallic (Zn-Mn or Cu-Mn) carboxylate complexes, it was possible to get either well defined spinel ZnMn{sub 2}O{sub 4} over zinc oxide or well dispersed copper particles surrounded by a manganese oxide (Mn{sub 3}O{sub 4}) in a core-shell like structure. Highlights: Black-Right-Pointing-Pointer Thermal degradation of heterometallic complexes results in fine disperse particles. Black-Right-Pointing-Pointer Core-shell Cu/Mn{sub 3}O{sub 4} particles are obtained. Black-Right-Pointing-Pointer ZnMn{sub 2}O{sub 4} spinel layer covers ZnO particles.« less

  16. Programming of Multicomponent Temporal Release Profiles in 3D Printed Polypills via Core-Shell, Multilayer, and Gradient Concentration Profiles.

    PubMed

    Haring, Alexander P; Tong, Yuxin; Halper, Justin; Johnson, Blake N

    2018-06-10

    Additive manufacturing (AM) appears poised to provide novel pharmaceutical technology and controlled release systems, yet understanding the effects of processing and post-processing operations on pill design, quality, and performance remains a significant barrier. This paper reports a study of the relationship between programmed concentration profile and resultant temporal release profile using a 3D printed polypill system consisting of a Food and Drug Administration (FDA) approved excipient (Pluronic F-127) and therapeutically relevant dosages of three commonly used oral agents for treatment of type 2 diabetes (300-500 mg per pill). A dual-extrusion hydrogel microextrusion process enables the programming of three unique concentration profiles, including core-shell, multilayer, and gradient structures. Experimental and computational studies of diffusive mass transfer processes reveal that programmed concentration profiles are dynamic throughout both pill 3D printing and solidification. Spectrophotometric assays show that the temporal release profiles could be selectively programmed to exhibit delayed, pulsed, or constant profiles over a 5 h release period by utilizing the core-shell, multilayer, and gradient distributions, respectively. Ultimately, this work provides new insights into the mass transfer processes that affect design, quality, and performance of spatially graded controlled release systems, as well as demonstrating the potential to create disease-specific polypill technology with programmable temporal release profiles. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Glass polymorphism in glycerol-water mixtures: I. A computer simulation study.

    PubMed

    Jahn, David A; Wong, Jessina; Bachler, Johannes; Loerting, Thomas; Giovambattista, Nicolas

    2016-04-28

    We perform out-of-equilibrium molecular dynamics (MD) simulations of water-glycerol mixtures in the glass state. Specifically, we study the transformations between low-density (LDA) and high-density amorphous (HDA) forms of these mixtures induced by compression/decompression at constant temperature. Our MD simulations reproduce qualitatively the density changes observed in experiments. Specifically, the LDA-HDA transformation becomes (i) smoother and (ii) the hysteresis in a compression/decompression cycle decreases as T and/or glycerol content increase. This is surprising given the fast compression/decompression rates (relative to experiments) accessible in MD simulations. We study mixtures with glycerol molar concentration χ(g) = 0-13% and find that, for the present mixture models and rates, the LDA-HDA transformation is detectable up to χ(g) ≈ 5%. As the concentration increases, the density of the starting glass (i.e., LDA at approximately χ(g) ≤ 5%) rapidly increases while, instead, the density of HDA remains practically constant. Accordingly, the LDA state and hence glass polymorphism become inaccessible for glassy mixtures with approximately χ(g) > 5%. We present an analysis of the molecular-level changes underlying the LDA-HDA transformation. As observed in pure glassy water, during the LDA-to-HDA transformation, water molecules within the mixture approach each other, moving from the second to the first hydration shell and filling the first interstitial shell of water molecules. Interestingly, similar changes also occur around glycerol OH groups. It follows that glycerol OH groups contribute to the density increase during the LDA-HDA transformation. An analysis of the hydrogen bond (HB)-network of the mixtures shows that the LDA-HDA transformation is accompanied by minor changes in the number of HBs of water and glycerol. Instead, large changes in glycerol and water coordination numbers occur. We also perform a detailed analysis of the effects that the glycerol force field (FF) has on our results. By comparing MD simulations using two different glycerol models, we find that glycerol conformations indeed depend on the FF employed. Yet, the thermodynamic and microscopic mechanisms accompanying the LDA-HDA transformation and hence, our main results, do not. This work is accompanied by an experimental report where we study the glass polymorphism in glycerol-water mixtures prepared by isobaric cooling at 1 bar.

  18. Glass polymorphism in glycerol–water mixtures: I. A computer simulation study

    PubMed Central

    Jahn, David A.; Wong, Jessina; Bachler, Johannes; Loerting, Thomas

    2016-01-01

    We perform out-of-equilibrium molecular dynamics (MD) simulations of water–glycerol mixtures in the glass state. Specifically, we study the transformations between low-density (LDA) and high-density amorphous (HDA) forms of these mixtures induced by compression/decompression at constant temperature. Our MD simulations reproduce qualitatively the density changes observed in experiments. Specifically, the LDA–HDA transformation becomes (i) smoother and (ii) the hysteresis in a compression/decompression cycle decreases as T and/or glycerol content increase. This is surprising given the fast compression/decompression rates (relative to experiments) accessible in MD simulations. We study mixtures with glycerol molar concentration χ g = 0–13% and find that, for the present mixture models and rates, the LDA–HDA transformation is detectable up to χ g ≈ 5%. As the concentration increases, the density of the starting glass (i.e., LDA at approximately χ g ≤ 5%) rapidly increases while, instead, the density of HDA remains practically constant. Accordingly, the LDA state and hence glass polymorphism become inaccessible for glassy mixtures with approximately χ g > 5%. We present an analysis of the molecular-level changes underlying the LDA–HDA transformation. As observed in pure glassy water, during the LDA-to-HDA transformation, water molecules within the mixture approach each other, moving from the second to the first hydration shell and filling the first interstitial shell of water molecules. Interestingly, similar changes also occur around glycerol OH groups. It follows that glycerol OH groups contribute to the density increase during the LDA–HDA transformation. An analysis of the hydrogen bond (HB)-network of the mixtures shows that the LDA–HDA transformation is accompanied by minor changes in the number of HBs of water and glycerol. Instead, large changes in glycerol and water coordination numbers occur. We also perform a detailed analysis of the effects that the glycerol force field (FF) has on our results. By comparing MD simulations using two different glycerol models, we find that glycerol conformations indeed depend on the FF employed. Yet, the thermodynamic and microscopic mechanisms accompanying the LDA–HDA transformation and hence, our main results, do not. This work is accompanied by an experimental report where we study the glass polymorphism in glycerol–water mixtures prepared by isobaric cooling at 1 bar. PMID:27063705

  19. DYNA3D: A computer code for crashworthiness engineering

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

    Hallquist, J.O.; Benson, D.J.

    1986-09-01

    A finite element program with crashworthiness applications has been developed at LLNL. DYNA3D, an explicit, fully vectorized, finite deformation structural dynamics program, has four capabilities that are critical for the efficient and realistic modeling crash phenomena: (1) fully optimized nonlinear solid, shell, and beam elements for representing a structure; (2) a broad range of constitutive models for simulating material behavior; (3) sophisticated contact algorithms for impact interactions; (4) a rigid body capability to represent the bodies away from the impact region at a greatly reduced cost without sacrificing accuracy in the momentum calculations. Basic methodologies of the program are brieflymore » presented along with several crashworthiness calculations. Efficiencies of the Hughes-Liu and Belytschko-Tsay shell formulations are considered.« less

  20. National Aerospace Plane Integrated Fuselage/Cryotank Risk Reduction program

    NASA Astrophysics Data System (ADS)

    Dayton, K. E.

    1993-06-01

    The principal objectives and results of the National Aerospace Plane (NASP) Integrated Risk Reduction program are briefly reviewed. The program demonstrated the feasibility of manufacturing lightweight advanced composite materials for single-stage-to-orbit hypersonic flight vehicle applications. A series of combined load simulation tests (thermal, mechanical, and cryogenic) demonstrated proof of concept performance for an all unlined composite cryogenic fuel tank with flat end bulkheads and a high-temperature thin-shell advanced composite fuselage. Temperatures of the fuselage were as high as 1300 F, with 100 percent bending and shear loads applied to the tank while filled with 850 gallons of cryogenic fluid hydrogen (-425 F). Leak rates measured on and around the cryotank shell and bulkheads were well below acceptable levels.

  1. Exploring Closed-Shell Cationic Phenalenyl: From Catalysis to Spin Electronics.

    PubMed

    Mukherjee, Arup; Sau, Samaresh Chandra; Mandal, Swadhin K

    2017-07-18

    The odd alternant hydrocarbon phenalenyl (PLY) can exist in three different forms, a closed-shell cation, an open-shell radical, and a closed-shell anion, using its nonbonding molecular orbital (NBMO). The chemistry of PLY-based molecules began more than five decades ago, and so far, the progress has mainly involved the open-shell neutral radical state. Over the last two decades, we have witnessed the evolution of a range of PLY-based radicals generating an array of multifunctional materials. However, it has been admitted that the practical applications of PLY radicals are greatly challenged by the low stability of the open-shell (radical) state. Recently, we took a different route to establish the utility of these PLY molecules using the closed-shell cationic state. In such a design, the closed-shell unit of PLY can readily accept free electrons, stabilizing in its NBMO upon generation of the open-shell state of the molecule. Thus, one can synthetically avoid the unstable open-shell state but still take advantage of this state by in situ generating the radical through external electron transfer or spin injection into the empty NBMO. It is worth noting that such approaches using closed-shell phenalenyl have been missing in the literature. This Account focuses on our recent developments using the closed-shell cationic state of the PLY molecule and its application in broad multidisciplinary areas spanning from catalysis to spin electronics. We describe how this concept has been utilized to develop a variety of homogeneous catalysts. For example, this concept was used in designing an iron(III) PLY-based electrocatalyst for a single-compartment H 2 O 2 fuel cell, which delivered the best electrocatalytic activity among previously reported iron complexes, organometallic catalysts for various homogeneous organic transformations (hydroamination and polymerization), an organic Lewis acid catalyst for the ring opening of epoxides, and transition-metal-free C-H functionalization catalysts. Moreover, this concept of using the empty NBMO present in the closed-shell cationic state of the PLY moiety to capture electron(s) was further extended to an entirely different area of spin electronics to design a PLY-based spin-memory device, which worked by a spin-filtration mechanism using an organozinc compound based on a PLY backbone deposited over a ferromagnetic substrate. In this Account, we summarize our recent efforts to understand how this unexplored closed-shell state of the phenalenyl molecule, which has been known for over five decades, can be utilized in devising an array of materials that not only are important from an organometallic chemistry or organic chemistry point of view but also provide new understanding for device physics.

  2. Design and Fabrication of a Ring-Stiffened Graphite-Epoxy Corrugated Cylindrical Shell

    NASA Technical Reports Server (NTRS)

    Johnson, R., Jr.

    1978-01-01

    Design and fabrication of supplement test panels that represent key portions of the cylinder are described, as are supporting tests of coupons, sample joints, and stiffening ring elements. The cylindrical shell is a ring-stiffened, open corrugation design that uses T300/5208 graphite-epoxy tape as the basic material for the shell wall and stiffening rings. The test cylinder is designed to withstand bending loads producing the relatively low maximum load intensity in the shell wall of 1,576 N/cm. The resulting shell wall weight, including stiffening rings and fasteners, is 0.0156 kg/m. The shell weight achieved in the graphite-epoxy cylinder represents a weight saving of approximately 23 percent, compared to a comparable aluminum shell. A unique fabrication approach was used in which the cylinder wall was built in three flat segments, which were then wrapped to the cylindrical shape. Such an approach, made possible by the flexibility of the thin corrugated wall in a radial direction, proved to be a simple approach to building the test cylinder. Based on tooling and fabrication methods in this program, the projected costs of a production run of 100 units are reported.

  3. Numerical analysis of stiffened shells of revolution. Volume 7: Satellite programs for the STARS system

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.; Ogilvie, P.

    1973-01-01

    The user and programming information necessary for the application of the SATELLITE programs for the STARS system are presented. The individual program functions are: (1) data debugging for the STARS-2S program, (2) Fourier series conversion program, (3) data debugging for the STARS-2B program, and (4) data debugging for the STARS-2V program.

  4. Continuation of Employment Training for Students in the Shell Fisheries Industry. Final Report. 1981-1982.

    ERIC Educational Resources Information Center

    Cape May County Vocational Schools, NJ.

    A project to provide training in the shell fishing industries was continued into its second year to develop entry-level skills for employment and provide instruction and hands-on experience through infusing the existing Marine Science program. Results from a survey of instructors and individuals involved in the industry were used to develop a…

  5. Health-hazard evaluation report HETA 91-298-2182, Gibson Flatiron, Erica Shell Manufacturing, Bozeman, Montana

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

    McCammon, C.S.

    1992-02-01

    In response to a request from the Montana State Health Department, an evaluation was undertaken of exposures to wood dust and lacquer vapors at the Gibson Flatiron/Erica Shell Manufacturing Companies (SIC-3931), Bozeman, Montana. Gibson Flatiron manufactured mandolins and banjoes. Erica Shell Manufacturing Company cuts and grinds abalone and other sea shells into small pieces to be used in designs inlayed into mandolins and banjos. Measured wood dust levels ranged from 0.8 to 32mg/cu m with an 8 hour time weighted average (TWA) of 1.2 to 30mg/cu m. Rib construction and assembly, and planing bulk ebony wood had TWA exposures abovemore » the OSHA permissible exposure limit of 5mg/cu m for wood dust. Application of dyes and finishes resulted in low exposures to acetone (67641), toluene (108883), xylene (1330207), and butyl-acetate (123864). No solvent air concentrations were above 10% of their respective PELs. The author concludes that a health hazard existed for exposure to wood dusts. The author recommends the establishment of a respiratory protection program and a hearing conservation program. Emergency egress routes should be marked in the buildings.« less

  6. Analysis of two colliding fractionally damped spherical shells in modelling blunt human head impacts

    NASA Astrophysics Data System (ADS)

    Rossikhin, Yury A.; Shitikova, Marina V.

    2013-06-01

    The collision of two elastic or viscoelastic spherical shells is investigated as a model for the dynamic response of a human head impacted by another head or by some spherical object. Determination of the impact force that is actually being transmitted to bone will require the model for the shock interaction of the impactor and human head. This model is indended to be used in simulating crash scenarios in frontal impacts, and provide an effective tool to estimate the severity of effect on the human head and to estimate brain injury risks. The model developed here suggests that after the moment of impact quasi-longitudinal and quasi-transverse shock waves are generated, which then propagate along the spherical shells. The solution behind the wave fronts is constructed with the help of the theory of discontinuities. It is assumed that the viscoelastic features of the shells are exhibited only in the contact domain, while the remaining parts retain their elastic properties. In this case, the contact spot is assumed to be a plane disk with constant radius, and the viscoelastic features of the shells are described by the fractional derivative standard linear solid model. In the case under consideration, the governing differential equations are solved analytically by the Laplace transform technique. It is shown that the fractional parameter of the fractional derivative model plays very important role, since its variation allows one to take into account the age-related changes in the mechanical properties of bone.

  7. Self-template synthesis of double shelled ZnS-NiS1.97 hollow spheres for electrochemical energy storage

    NASA Astrophysics Data System (ADS)

    Wei, Chengzhen; Ru, Qinglong; Kang, Xiaoting; Hou, Haiyan; Cheng, Cheng; Zhang, Daojun

    2018-03-01

    In this work, double shelled ZnS-NiS1.97 hollow spheres have been achieved via a simple self-template route, which involves the synthesis of Zn-Ni solid spheres precursors as the self-template and then transformation into double shelled ZnS-NiS1.97 hollow spheres by sulfidation treatment. The as-prepared double shelled ZnS-NiS1.97 hollow spheres possess a high surface area (105.26 m2 g-1) and porous structures. Benefiting from the combined characteristics of novel structures, multi-component, high surface area and porous. When applied as electrode materials for supercapacitors, the double shelled ZnS-NiS1.97hollow spheres deliver a large specific capacitance of 696.8C g-1 at 5.0 A g-1 and a remarkable long lifespan cycling stability (less 5.5% loss after 6000 cycles). Moreover, an asymmetric supercapacitor (ASC) was assembled by utilizing ZnS-NiS1.97 (positive electrode) and activated carbon (negative electrode) as electrode materials. The as-assembled device possesses an energy density of 36 W h kg-1, which can be yet retained 25.6 W h kg-1 even at a power density of 2173.8 W Kg-1, indicating its promising applications in electrochemical energy storage. More importantly, the self-template route is a simple and versatile strategy for the preparation of metal sulfides electrode materials with desired structures, chemical compositions and electrochemical performances.

  8. Measurement of the sizes of circumstellar dust shells around evolved stars with high mass loss rates

    NASA Technical Reports Server (NTRS)

    Phillips, T. G.; Knapp, G. R.

    1992-01-01

    The research supported by the NASA ADP contract NAG5-1153 has been completed. The attached paper, which will be submitted for publication in the Astrophysical Journal in January 1992, presents the results of this work. Here is a summary of the project and its results. A set of computer programs was developed to process the raw 60 micron and 100 micron IRAS survey data. The programs were designed to detect faint extended emission surrounding a bright unresolved source. Candidate objects were chosen from a list of red giant stars and young planetary nebulae which have been detected in millimeter/submillimeter lines of CO. Of the 279 stars examined, 55 were resolved at 60 microns. The principle results of the study are given. The average age for the shells surrounding the 9 Mira-type stars which are extended is 6 x 10(exp 4) yr. This suggests that the period during which these stars lose mass lasts for approx 10(exp 5) yr. The oldest shell found surrounds U Ori, and the youngest surrounds Mira itself. Some shells appear to be detached from the central star. This phenomenon is more common among older stars, suggesting that the mass loss becomes more episodic as the star sheds its envelope. Although all 8 stars less distant than 200 pc are resolved in the IRAS 60 micron data, 29 stars within 500 pc were not. These stars probably have younger circumstellar shells than those which were resolved. Almost all the carbon stars with distances of 500 pc or less have resolved shells, while only 1/2 of the oxygen-rich stars do. The resolved carbon star shells also are older on average than the oxygen-rich ones. These facts imply that carbon stars have been losing mass for a longer period, on average, than oxygen-rich red giants. Large circumstellar shells tend to be found at large distances from the galactic plane, confirming that the ISM density limits the size to which a dust shell can grow. Surprisingly, even very large shells seem to be nearly spherical, and do not appear to be distorted by ram-pressure caused by the star's motion with respect to the ISM. Radiative transfer models and the value of I sub 60 microns/I sub 100 microns allow the average dust temperature in the outer regions of a circumstellar shell to be estimated. The typical value obtained in about 35 K.

  9. Kirchhoff's rule for quantum wires

    NASA Astrophysics Data System (ADS)

    Kostrykin, V.; Schrader, R.

    1999-01-01

    We formulate and discuss one-particle quantum scattering theory on an arbitrary finite graph with n open ends and where we define the Hamiltonian to be (minus) the Laplace operator with general boundary conditions at the vertices. This results in a scattering theory with n channels. The corresponding on-shell S-matrix formed by the reflection and transmission amplitudes for incoming plane waves of energy E>0 is given explicitly in terms of the boundary conditions and the lengths of the internal lines. It is shown to be unitary, which may be viewed as the quantum version of Kirchhoff's law. We exhibit covariance and symmetry properties. It is symmetric if the boundary conditions are real. Also there is a duality transformation on the set of boundary conditions and the lengths of the internal lines such that the low-energy behaviour of one theory gives the high-energy behaviour of the transformed theory. Finally, we provide a composition rule by which the on-shell S-matrix of a graph is factorizable in terms of the S-matrices of its subgraphs. All proofs use only known facts from the theory of self-adjoint extensions, standard linear algebra, complex function theory and elementary arguments from the theory of Hermitian symplectic forms.

  10. Physicochemical properties and characterization of chitosan synthesized from fish scales, crab and shrimp shells.

    PubMed

    Kumari, Suneeta; Kumar Annamareddy, Sri Hari; Abanti, Sahoo; Kumar Rath, Pradip

    2017-11-01

    Chitosan is derived from different starting materials such as fish scales, shrimp and crab shells by the process of deacetylation of chitin, which is carried out using 40% KOH at 90°C for 6h. Prepared chitosan was characterized by Fourier transforms infrared spectroscopy, X-ray powder diffraction, Scanning electron microscope and Thermogravimetric analysis. Futher the physicochemical properties of chitosan like Fat binding capacity (FBC), water binding capacity (WBC), solubility, average molecular weight, ash content, moisture and degree of deacetylation of chitosan were also studied. Crystalline index (%) values of commercial, shrimp, crab and fish chitosan were found to be 96, 82, 88 and 84% respectively. The presence of amino group was confirmed from the FTIR spectra of chitosan synthesized. TGA results demonstrated the lower thermal stability of chitosan. Relatively smother surface and nano-fiber structures were observed from SEM analysis. The degree of deacetylation of chitosan from different sources such as shells of fish, shrimp and crab were found to be 75%, 78%, and 70% respectively. In a similar way the WBC and FBC of fish, shrimp and crab shells were found to be 492, 358 and 138% and 226, 246 and 138% respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Palladium Nanoparticles Immobilized on Individual Calcium Carbonate Plates Derived from Mussel Shell Waste: An Ecofriendly Catalyst for the Copper-Free Sonogashira Coupling Reaction.

    PubMed

    Saetan, Trin; Lertvachirapaiboon, Chutiparn; Ekgasit, Sanong; Sukwattanasinitt, Mongkol; Wacharasindhu, Sumrit

    2017-09-05

    The conversion of waste into high-value materials is considered an important sustainability strategy in modern chemical industries. A large volume of shell waste is generated globally from mussel cultivation. In this work, mussel shell waste (Perna viridis) is transformed into individual calcium carbonate plates (ICCPs) and is applied as a support for a heterogeneous catalyst. Palladium nanoparticles (3-6 nm) are deposited with an even dispersion on the ICCP surface, as demonstrated by X-ray diffraction and scanning electron microscopy. Using this system, Sonogashira cross-coupling reactions between aryl iodides and terminal acetylenes were accomplished in high yields with the use of 1 % Pd/ICCP in the presence of potassium carbonate without the use of any copper metal or external ligand. The Pd/ICCP catalyst could also be reused up to three times and activity over 90 % was maintained with negligible Pd-metal leaching. This work demonstrates that mussel shell waste can be used as an inexpensive and effective support for metal catalysts in coupling reactions, as demonstrated by the successful performance of the Pd-catalyzed, copper-free Sonogashira cross-coupling process. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Novel Organically Modified Core-Shell Clay for Epoxy Composites-"SOBM Filler 1".

    PubMed

    Iheaturu, Nnamdi Chibuike; Madufor, Innocent Chimezie

    2014-01-01

    Preparation of a novel organically modified clay from spent oil base drilling mud (SOBM) that could serve as core-shell clay filler for polymers is herein reported. Due to the hydrophilic nature of clay, its compatibility with polymer matrix was made possible through modification of the surface of the core clay sample with 3-aminopropyltriethoxysilane (3-APTES) compound prior to its use. Fourier transform infrared (FT-IR) spectroscopy was used to characterize clay surface modification. Electron dispersive X-ray diffraction (EDX) and scanning electron microscopy (SEM) were used to expose filler chemical composition and morphology, while electrophoresis measurement was used to examine level of filler dispersion. Results show an agglomerated core clay powder after high temperature treatment, while EDX analysis shows that the organically modified clay is composed of chemical inhomogeneities, wherein elemental compositions in weight percent vary from one point to the other in a probe of two points. Micrographs of the 3-APTES coupled SOBM core-shell clay filler clearly show cloudy appearance, while FT-IR indicates 25% and 5% increases in fundamental vibrations band at 1014 cm(-1) and 1435 cm(-1), respectively. Furthermore, 3-APTES coupled core-shell clay was used to prepare epoxy composites and tested for mechanical properties.

  13. Double-shell Fe2O3 hollow box-like structure for enhanced photo-Fenton degradation of malachite green dye

    NASA Astrophysics Data System (ADS)

    Jiang, De Bin; Liu, Xiaoying; Xu, Xuan; Zhang, Yu Xin

    2018-01-01

    In this work we demonstrate the synthesis of novel Fe2O3 nanosheets with double-shell hollow morphology by replica molding from diatomite framework. The nanostructures of Fe2O3 nanosheets were examined by focused-ion-beam scanning electron microscopy (FIB/SEM), X-ray diffraction spectroscopy (XRD), Brunauer-Emmett-Teller (BET) specific surface area measurements and Fourier transform infrared (FT-IR) spectroscopy. The results reveal that (1) Pure Fe2O3 nanosheets were successfully obtained; (2) The double-shell Fe2O3 hollow structure achieved via the NaOH etching silica method was observed; (3) Fe2O3 nanosheets possessed uniformly distributed porous nanosheets. Such structural features enlarged the specific surface area of Fe2O3 nanosheets and led to more catalytic active sites. In the heterogeneous photo-Fenton reaction, the double-shell Fe2O3 hollow morphology exhibited excellent catalytic capability for the degradation of malachite green (MG) at circumneutral pH condition. Under optimum condition, MG solution was almost completely decolorized in 60 min (99.9%). The Fe2O3 nanosheets also showed good stability and recyclability, demonstrating great potential as a promising photo-Fenton catalyst for the effective degradation of MG dye in wastewater.

  14. From the Island of the Blue Dolphins: A unique 19th century cache feature from San Nicolas Island, California

    USGS Publications Warehouse

    Erlandson, Jon M.; Thomas-Barnett, Lisa; Vellanoweth, René L.; Schwartz, Steven J.; Muhs, Daniel R.

    2013-01-01

    A cache feature salvaged from an eroding sea cliff on San Nicolas Island produced two redwood boxes containing more than 200 artifacts of Nicoleño, Native Alaskan, and Euro-American origin. Outside the boxes were four asphaltum-coated baskets, abalone shells, a sandstone dish, and a hafted stone knife. The boxes, made from split redwood planks, contained a variety of artifacts and numerous unmodified bones and teeth from marine mammals, fish, birds, and large land mammals. Nicoleño-style artifacts include 11 knives with redwood handles and stone blades, stone projectile points, steatite ornaments and effigies, a carved stone pipe, abraders and burnishing stones, bird bone whistles, bone and shell pendants, abalone shell dishes, and two unusual barbed shell fishhooks. Artifacts of Native Alaskan style include four bone toggling harpoons, two unilaterally barbed bone harpoon heads, bone harpoon fore-shafts, a ground slate blade, and an adze blade. Objects of Euro-American origin or materials include a brass button, metal harpoon blades, and ten flaked glass bifaces. The contents of the cache feature, dating to the early-to-mid nineteenth century, provide an extraordinary window on a time of European expansion and global economic development that created unique cultural interactions and social transformations.

  15. Novel Organically Modified Core-Shell Clay for Epoxy Composites—“SOBM Filler 1”

    PubMed Central

    Iheaturu, Nnamdi Chibuike; Madufor, Innocent Chimezie

    2014-01-01

    Preparation of a novel organically modified clay from spent oil base drilling mud (SOBM) that could serve as core-shell clay filler for polymers is herein reported. Due to the hydrophilic nature of clay, its compatibility with polymer matrix was made possible through modification of the surface of the core clay sample with 3-aminopropyltriethoxysilane (3-APTES) compound prior to its use. Fourier transform infrared (FT-IR) spectroscopy was used to characterize clay surface modification. Electron dispersive X-ray diffraction (EDX) and scanning electron microscopy (SEM) were used to expose filler chemical composition and morphology, while electrophoresis measurement was used to examine level of filler dispersion. Results show an agglomerated core clay powder after high temperature treatment, while EDX analysis shows that the organically modified clay is composed of chemical inhomogeneities, wherein elemental compositions in weight percent vary from one point to the other in a probe of two points. Micrographs of the 3-APTES coupled SOBM core-shell clay filler clearly show cloudy appearance, while FT-IR indicates 25% and 5% increases in fundamental vibrations band at 1014 cm−1 and 1435 cm−1, respectively. Furthermore, 3-APTES coupled core-shell clay was used to prepare epoxy composites and tested for mechanical properties. PMID:27355022

  16. Synthesis and characterization of CaCO3 (calcite) nano particles from cockle shells (Anadara granosa Linn) by precipitation method

    NASA Astrophysics Data System (ADS)

    Widyastuti, Sri; Intan Ayu Kusuma, P.

    2017-06-01

    Calcium supplements can reduce the risk of osteoporosis, but they are not automatically absorbed in the gastrointestinal tract. Nanotechnology is presumed to have a capacity in resolving this problem. The preparation and characterization of calcium carbonate nano particle to improve the solubility was performed. Calcium carbonate nano particles were synthesized using precipitation method from cockle shells (Anadara granosa Linn). Samples of the cockle shells were dried in an oven at temperature of 50°C for 7 (seven) days and subsequently they were crushed and blended into fine powder that was sieved through 125-μm sieve. The synthesis of calcium carbonate nanocrystals was done by extracting using hydro chloride acid and various concentrations of sodium hydroxide were used to precipitate the calcium carbonate nano particles. The size of the nano particles was determined by SEM, XRD data, and Fourier transform infrared spectroscopy (FT-IR). The results of XRD indicated that the overall crystalline structure and phase purity of the typical calcite phase CaCO3 particles were approximately 300 nm in size. The method to find potential applications in industry to yield the large scale synthesis of aragonite nano particles by a low cost but abundant natural resource such as cockle shells is required.

  17. Nuclear Data Evaluation for Mass Chain A=217:Odd-Proton Nuclei

    PubMed Central

    Nafee, Sherif S.; Shaheen, Salem A.; Al-Ramady, Amir M.

    2016-01-01

    Thallium (Tl81217), Bismuth (Bi83217), Astatine (At85217), Francium (Fr87217), Actinium (Ac89217) and Protactinium (Pa91217) are of odd-proton numbers among the mass chain A = 217. In the present work, the half-lives and gamma transitions for the six nuclei have been studied and adopted based on the recently published interactions or unevaluated nuclear data sets XUNDL. The Q (α) has been updated based on the recent published work of the Atomic Mass Evaluation AME2012 as well. Moreover, the total conversion electrons as well as the K-Shell to L-Shell, L-Shell to M-Shell and L-Shell to N-Shell Conversion Electron Ratios have been calculated using BrIcc code v2.3. An updated skeleton decay scheme for each of the above nuclei has been presented here. The decay hindrance factors (HF) calculated using the ALPHAD program, which is available from Brookhaven National Laboratory’s website, have been calculated for the α- decay data sets for 221Fr-, 221Ac- and 221Pa- α-decays. PMID:26761207

  18. Shell alterations in limpets as putative biomarkers for multi-impacted coastal areas.

    PubMed

    Begliomini, Felipe Nincao; Maciel, Daniele Claudino; de Almeida, Sérgio Mendonça; Abessa, Denis Moledo; Maranho, Luciane Alves; Pereira, Camilo Seabra; Yogui, Gilvan Takeshi; Zanardi-Lamardo, Eliete; Castro, Ítalo Braga

    2017-07-01

    During the last years, shell alterations in gastropods have been proposed as tools to be used in monitoring programs. However, no studies were so far performed investigating the relationships among shell parameters and classical biomarkers of damage. The relationship between shell alterations (biometrics, shape and elemental composition) and biomarkers (LPO and DNA strand break) was evaluated in the limpet L. subrugosa sampled along a contamination gradient in a multi-impacted coastal zone from southeastern Brazil. Statistically significant differences were detected among sites under different pollution levels. The occurrence of shell malformations was consistent with environmental levels of several hazardous substances reported for the studied area and related to lipid peroxidation and DNA damage. In addition, considering the low mobility, wide geographic distribution, ease of collection and abundance of limpets in coastal zones, this putative tool may be a cost-effective alternative to traditional biomarkers. Thus, shell alterations in limpets seem to be good proxies for assessing biological adverse effects in multi-impacted coastal zones. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Folding of non-Euclidean curved shells

    NASA Astrophysics Data System (ADS)

    Bende, Nakul; Evans, Arthur; Innes-Gold, Sarah; Marin, Luis; Cohen, Itai; Santangelo, Christian; Hayward, Ryan

    2015-03-01

    Origami-based folding of 2D sheets has been of recent interest for a variety of applications ranging from deployable structures to self-folding robots. Though folding of planar sheets follows well-established principles, folding of curved shells involves an added level of complexity due to the inherent influence of curvature on mechanics. In this study, we use principles from differential geometry and thin shell mechanics to establish fundamental rules that govern folding of prototypical creased shells. In particular, we show how the normal curvature of a crease line controls whether the deformation is smooth or discontinuous, and investigate the influence of shell thickness and boundary conditions. We show that snap-folding of shells provides a route to rapid actuation on time-scales dictated by the speed of sound. The simple geometric design principles developed can be applied at any length-scale, offering potential for bio-inspired soft actuators for tunable optics, microfluidics, and robotics. This work was funded by the National Science Foundation through EFRI ODISSEI-1240441 with additional support to S.I.-G. through the UMass MRSEC DMR-0820506 REU program.

  20. Dynamic variational asymptotic procedure for laminated composite shells

    NASA Astrophysics Data System (ADS)

    Lee, Chang-Yong

    Unlike published shell theories, the main two parts of this thesis are devoted to the asymptotic construction of a refined theory for composite laminated shells valid over a wide range of frequencies and wavelengths. The resulting theory is applicable to shells each layer of which is made of materials with monoclinic symmetry. It enables one to analyze shell dynamic responses within both long-wavelength, low- and high-frequency vibration regimes. It also leads to energy functionals that are both positive definiteness and sufficient simplicity for all wavelengths. This whole procedure was first performed analytically. From the insight gained from the procedure, a finite element version of the analysis was then developed; and a corresponding computer program, DVAPAS, was developed. DVAPAS can obtain the generalized 2-D constitutive law and recover accurately the 3-D results for stress and strain in composite shells. Some independent works will be needed to develop the corresponding 2-D surface analysis associated with the present theory and to continue towards full verification and validation of the present process by comparison with available published works.

  1. 78 FR 79477 - Announcement of Funding Awards, Choice Neighborhoods Grant Program, Fiscal Year 2013

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-30

    ... to community development centered on housing transformation. The program aims to transform...-functioning services, effective schools and education programs, public assets, public transportation, and... comprehensive neighborhood revitalization strategy, or Transformation Plan. The Transformation Plan will become...

  2. 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.

  3. The contribution of oyster microbiomes to denitrification and nitrous oxide emissions in estuarine and coastal ecosystems

    NASA Astrophysics Data System (ADS)

    Arfken, A. M.; Song, B.; Smyth, A.

    2016-02-01

    Oysters are important nitrogen transformers in estuaries. Studies have shown that benthic-pelagic coupling by oysters stimulates sedimentary denitrification. The microbiomes living in and on oysters may also have high denitrification activity, generating N2O and N2 as end products. In order to evaluate the importance of oyster microbiome denitrification and its contribution to N2O emission in estuaries, continuous flow experiments with 15NO3- addition were conducted with oyster reef adjacent sediments, live oysters, live oysters with biofilm removed, and oyster shells. Denitrification rates were highest in live oysters, followed by scrubbed oysters, oyster shells, and finally by sediments, with the lowest activity. N2O production followed a similar trend, but with scrubbed oysters and shells being similar. We also found a significant linear correlation between N2 and N2O production, which indicates that denitrification is the source of N2O from oyster and oyster shells. Molecular analysis of microbiomes in oyster shells, guts and gills will be conducted using next generation sequencing of 16S rRNA gene and quantitative PCR assays targeting the functional genes in denitrification. We expect that within live oysters, the anaerobic gut microbiome will have higher abundances of denitrifiers than the shell biofilms or sediments, corresponding to higher denitrification activities in live oysters. This study will demonstrate that enhanced denitrification activity in oysters, in conjunction with sedimentary denitrification stimulated by oyster biodeposits, leads to oyster reefs being nitrogen removal hotspots and potential emission sources of N2O in estuarine and coastal ecosystems. In addition, the importance of microbiome structures in relation to oyster denitrification will be revealed.

  4. Non-aqueous synthesis of water-dispersible Fe3O4-Ca3(PO4)2 core-shell nanoparticles

    NASA Astrophysics Data System (ADS)

    Liu, HongLing; Wu, JunHua; Min, Ji Hyun; Hou, Peng; Song, Ah-Young; Kim, Young Keun

    2011-02-01

    The Fe3O4-Ca3(PO4)2 core-shell nanoparticles were prepared by one-pot non-aqueous nanoemulsion with the assistance of a biocompatible triblock copolymer, poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) (PEO-PPO-PEO), integrating the magnetic properties of Fe3O4 and the bioactive functions of Ca3(PO4)2 into single entities. The Fe3O4 nanoparticles were pre-formed first by thermal reduction of Fe(acac)3 and then the Ca3(PO4)2 layer was coated by simultaneous deposition of Ca2 + and PO43 - . The characterization shows that the combination of the two materials into a core-shell nanostructure retains the magnetic properties and the Ca3(PO4)2 shell forms an hcp phase (a = 7.490 Å, c = 9.534 Å) on the Fe3O4 surface. The magnetic hysteresis curves of the nanoparticles were further elucidated by the Langevin equation, giving an estimation of the effective magnetic dimension of the nanoparticles and reflecting the enhanced susceptibility response as a result of the surface covering. Fourier transform infrared (FTIR) analysis provides the characteristic vibrations of Ca3(PO4)2 and the presence of the polymer surfactant on the nanoparticle surface. Moreover, the nanoparticles could be directly transferred to water and the aqueous dispersion-collection process of the nanoparticles was demonstrated for application readiness of such core-shell nanostructures in an aqueous medium. Thus, the construction of Fe3O4 and Ca3(PO4)2 in the core-shell nanostructure has conspicuously led to enhanced performance and multi-functionalities, offering various possible applications of the nanoparticles.

  5. Improved nine-node shell element MITC9i with reduced distortion sensitivity

    NASA Astrophysics Data System (ADS)

    Wisniewski, K.; Turska, E.

    2017-11-01

    The 9-node quadrilateral shell element MITC9i is developed for the Reissner-Mindlin shell kinematics, the extended potential energy and Green strain. The following features of its formulation ensure an improved behavior: 1. The MITC technique is used to avoid locking, and we propose improved transformations for bending and transverse shear strains, which render that all patch tests are passed for the regular mesh, i.e. with straight element sides and middle positions of midside nodes and a central node. 2. To reduce shape distortion effects, the so-called corrected shape functions of Celia and Gray (Int J Numer Meth Eng 20:1447-1459, 1984) are extended to shells and used instead of the standard ones. In effect, all patch tests are passed additionally for shifts of the midside nodes along straight element sides and for arbitrary shifts of the central node. 3. Several extensions of the corrected shape functions are proposed to enable computations of non-flat shells. In particular, a criterion is put forward to determine the shift parameters associated with the central node for non-flat elements. Additionally, the method is presented to construct a parabolic side for a shifted midside node, which improves accuracy for symmetric curved edges. Drilling rotations are included by using the drilling Rotation Constraint equation, in a way consistent with the additive/multiplicative rotation update scheme for large rotations. We show that the corrected shape functions reduce the sensitivity of the solution to the regularization parameter γ of the penalty method for this constraint. The MITC9i shell element is subjected to a range of linear and non-linear tests to show passing the patch tests, the absence of locking, very good accuracy and insensitivity to node shifts. It favorably compares to several other tested 9-node elements.

  6. Largely improved the low temperature toughness of acrylonitrile-styrene-acrylate (ASA) resin: Fabricated a core-shell structure of two elastomers through the differences of interfacial tensions

    NASA Astrophysics Data System (ADS)

    Mao, Zepeng; Zhang, Jun

    2018-06-01

    The phase morphology of two elastomers (i.e., chlorinated polyethylene (CPE) and polybutadiene rubber (BR)) were devised to be a core-shell structure in acrylonitrile-styrene-acrylate (ASA) resin matrix, via the interfacial tension differences of polymer pairs. Selective extraction test and scanning electron microscopy (SEM) were utilized to verify this special phase morphology. The results demonstrated that the core-shell structure, BR core and CPE shell, significantly contributed to improve the low temperature toughness of ASA/CPE/BR ternary blends, which may be because the nonpolar BR core was segregated from polar ASA by the CPE shell. The CPE shell served dual functions: Not only did it play compatibilizing effect in the interface between BR and ASA matrix, but it also toughened the blends at 25 and 0 °C. The blends of ASA/CPE/BR (100/27/3, w/w/w) and ASA/CPE/BR (100/22/8, w/w/w) showed the peak impact strengths at about 28 and 9 kJ/m2 at 0 and -30 °C, respectively, which were higher than both that of ASA/CPE/BR (100/30/0, w/w/w) and ASA/CPE/BR (100/0/30, w/w/w). Moreover, the impact strength of ternary blends at room temperature kept at 40 kJ/m2 when BR content was lower than 10 phr. Other characterizations including contact angle measurement, dynamic mechanical thermal analysis (DMTA), morphology of impact-fractured surfaces, tensile properties, flexural properties, and Fourier transform infrared spectroscopy (FTIR) were measured as well.

  7. Numerical nonlinear inelastic analysis of stiffened shells of revolution. Volume 4: Satellite-1P program for STARS-2P digital computer program

    NASA Technical Reports Server (NTRS)

    Svalbonas, V.; Ogilvie, P.

    1975-01-01

    A special data debugging package called SAT-1P created for the STARS-2P computer program is described. The program was written exclusively in FORTRAN 4 for the IBM 370-165 computer, and then converted to the UNIVAC 1108.

  8. "Observation Obscurer" - Time Series Viewer, Editor and Processor

    NASA Astrophysics Data System (ADS)

    Andronov, I. L.

    The program is described, which contains a set of subroutines suitable for East viewing and interactive filtering and processing of regularly and irregularly spaced time series. Being a 32-bit DOS application, it may be used as a default fast viewer/editor of time series in any compute shell ("commander") or in Windows. It allows to view the data in the "time" or "phase" mode, to remove ("obscure") or filter outstanding bad points; to make scale transformations and smoothing using few methods (e.g. mean with phase binning, determination of the statistically opti- mal number of phase bins; "running parabola" (Andronov, 1997, As. Ap. Suppl, 125, 207) fit and to make time series analysis using some methods, e.g. correlation, autocorrelation and histogram analysis: determination of extrema etc. Some features have been developed specially for variable star observers, e.g. the barycentric correction, the creation and fast analysis of "OC" diagrams etc. The manual for "hot keys" is presented. The computer code was compiled with a 32-bit Free Pascal (www.freepascal.org).

  9. Control Software

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Real-Time Innovations, Inc. (RTI) collaborated with Ames Research Center, the Jet Propulsion Laboratory and Stanford University to leverage NASA research to produce ControlShell software. RTI is the first "graduate" of Ames Research Center's Technology Commercialization Center. The ControlShell system was used extensively on a cooperative project to enhance the capabilities of a Russian-built Marsokhod rover being evaluated for eventual flight to Mars. RTI's ControlShell is complex, real-time command and control software, capable of processing information and controlling mechanical devices. One ControlShell tool is StethoScope. As a real-time data collection and display tool, StethoScope allows a user to see how a program is running without changing its execution. RTI has successfully applied its software savvy in other arenas, such as telecommunications, networking, video editing, semiconductor manufacturing, automobile systems, and medical imaging.

  10. 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.

  11. 7TH International Workshop on Laser Physics (LPHYS󈨦) Berlin, Germany July 6-10, 1998 Program and Book of Abstracts: Volume 1.

    DTIC Science & Technology

    1998-07-01

    to a hydrodynamic expansion of the so-called " nanoplasma " into the vacuum. The relative weight of each of these two explosion mechanisms depends on... nanoplasma . In particular, we observe L-shell emission in the case of Krypton and Xenon clusters and K-shell emission for Argon. Our results concern the

  12. Better Finite-Element Analysis of Composite Shell Structures

    NASA Technical Reports Server (NTRS)

    Clarke, Gregory

    2007-01-01

    A computer program implements a finite-element-based method of predicting the deformations of thin aerospace structures made of isotropic materials or anisotropic fiber-reinforced composite materials. The technique and corresponding software are applicable to thin shell structures in general and are particularly useful for analysis of thin beamlike members having open cross-sections (e.g. I-beams and C-channels) in which significant warping can occur.

  13. Equipment for Subpicosecond Extreme Ultraviolet Facility.

    DTIC Science & Technology

    1986-02-05

    Excitation Induced by...................... 36 Coherent Motion of Outer-Shell Electrons" E. "A Theoretical Model of Inner-Shell...efficient production of x-rays are feasible. Our work involves a program of activities, involving both experimental -nd theoretical components, to...in addition to a theoretical effort con- itrating on the character of high order multiquantum coupling in the inten- I regime above 10 1 7 W cm2 . In

  14. Variational asymptotic modeling of composite dimensionally reducible structures

    NASA Astrophysics Data System (ADS)

    Yu, Wenbin

    A general framework to construct accurate reduced models for composite dimensionally reducible structures (beams, plates and shells) was formulated based on two theoretical foundations: decomposition of the rotation tensor and the variational asymptotic method. Two engineering software systems, Variational Asymptotic Beam Sectional Analysis (VABS, new version) and Variational Asymptotic Plate and Shell Analysis (VAPAS), were developed. Several restrictions found in previous work on beam modeling were removed in the present effort. A general formulation of Timoshenko-like cross-sectional analysis was developed, through which the shear center coordinates and a consistent Vlasov model can be obtained. Recovery relations are given to recover the asymptotic approximations for the three-dimensional field variables. A new version of VABS has been developed, which is a much improved program in comparison to the old one. Numerous examples are given for validation. A Reissner-like model being as asymptotically correct as possible was obtained for composite plates and shells. After formulating the three-dimensional elasticity problem in intrinsic form, the variational asymptotic method was used to systematically reduce the dimensionality of the problem by taking advantage of the smallness of the thickness. The through-the-thickness analysis is solved by a one-dimensional finite element method to provide the stiffnesses as input for the two-dimensional nonlinear plate or shell analysis as well as recovery relations to approximately express the three-dimensional results. The known fact that there exists more than one theory that is asymptotically correct to a given order is adopted to cast the refined energy into a Reissner-like form. A two-dimensional nonlinear shell theory consistent with the present modeling process was developed. The engineering computer code VAPAS was developed and inserted into DYMORE to provide an efficient and accurate analysis of composite plates and shells. Numerical results are compared with the exact solutions, and the excellent agreement proves that one can use VAPAS to analyze composite plates and shells efficiently and accurately. In conclusion, rigorous modeling approaches were developed for composite beams, plates and shells within a general framework. No such consistent and general treatment is found in the literature. The associated computer programs VABS and VAPAS are envisioned to have many applications in industry.

  15. On 3D inelastic analysis methods for hot section components

    NASA Technical Reports Server (NTRS)

    Mcknight, R. L.; Chen, P. C.; Dame, L. T.; Holt, R. V.; Huang, H.; Hartle, M.; Gellin, S.; Allen, D. H.; Haisler, W. E.

    1986-01-01

    Accomplishments are described for the 2-year program, to develop advanced 3-D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades and vanes. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulations models were developed; an eight-noded mid-surface shell element, a nine-noded mid-surface shell element and a twenty-noded isoparametric solid element. A separate computer program was developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

  16. The 3D inelastic analysis methods for hot section components

    NASA Technical Reports Server (NTRS)

    Mcknight, R. L.; Maffeo, R. J.; Tipton, M. T.; Weber, G.

    1992-01-01

    A two-year program to develop advanced 3D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades, and vanes is described. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulation models were developed: an eight-noded midsurface shell element; a nine-noded midsurface shell element; and a twenty-noded isoparametric solid element. A separate computer program has been developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

  17. EFFECTS OF CHEMISTRY AND OTHER VARIABLES ON CORROSION AND STRESS CORROSION CRACKING IN HANFORD DOUBLE SHELL TANKS

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

    BROWN MH

    2008-11-13

    Laboratory testing was performed to develop a comprehensive understanding of the corrosivity of the tank wastes stored in Double-Shell Tanks using simulants primarily from Tanks 241-AP-105, 241-SY-103 and 241-AW-105. Additional tests were conducted using simulants of the waste stored in 241-AZ-102, 241-SY-101, 241-AN-107, and 241-AY-101. This test program placed particular emphasis on defining the range of tank waste chemistries that do not induce the onset of localized forms of corrosion, particularly pitting and stress corrosion cracking. This document summarizes the key findings of the research program.

  18. Optimal design of geodesically stiffened composite cylindrical shells

    NASA Technical Reports Server (NTRS)

    Gendron, G.; Guerdal, Z.

    1992-01-01

    An optimization system based on the finite element code Computations Structural Mechanics (CSM) Testbed and the optimization program, Automated Design Synthesis (ADS), is described. The optimization system can be used to obtain minimum-weight designs of composite stiffened structures. Ply thickness, ply orientations, and stiffener heights can be used as design variables. Buckling, displacement, and material failure constraints can be imposed on the design. The system is used to conduct a design study of geodesically stiffened shells. For comparison purposes, optimal designs of unstiffened shells and shells stiffened by rings and stingers are also obtained. Trends in the design of geodesically stiffened shells are identified. An approach to include local stress concentrations during the design optimization process is then presented. The method is based on a global/local analysis technique. It employs spline interpolation functions to determine displacements and rotations from a global model which are used as 'boundary conditions' for the local model. The organization of the strategy in the context of an optimization process is described. The method is validated with an example.

  19. Confidence Testing of Shell 405 and S-405 Catalysts in a Monopropellant Hydrazine Thruster

    NASA Technical Reports Server (NTRS)

    McRight, Patrick; Popp, Chris; Pierce, Charles; Turpin, Alicia; Urbanchock, Walter; Wilson, Mike

    2005-01-01

    As part of the transfer of catalyst manufacturing technology from Shell Chemical Company (Shell 405 catalyst manufactured in Houston, Texas) to Aerojet (S-405 manufactured in Redmond, Washington), Aerojet demonstrated the equivalence of S-405 and Shell 405 at beginning of life. Some US aerospace users expressed a desire to conduct a preliminary confidence test to assess end-of-life characteristics for S-405. NASA Marshall Space Flight Center (MSFC) and Aerojet entered a contractual agreement in 2004 to conduct a confidence test using a pair of 0.2-lbf MR-103G monopropellant hydrazine thrusters, comparing S-405 and Shell 405 side by side. This paper summarizes the formulation of this test program, explains the test matrix, describes the progress of the test, and analyzes the test results. This paper also includes a discussion of the limitations of this test and the ramifications of the test results for assessing the need for future qualification testing in particular hydrazine thruster applications.

  20. Preliminary Sizing Study of Ares-I and Ares-V Liquid Hydrogen Tanks

    NASA Technical Reports Server (NTRS)

    Oliver, Stanley T.; Harper, David W.

    2012-01-01

    A preliminary sizing study of two cryogenic propellant tanks was performed using a FORTRAN optimization program to determine weight efficient orthogrid designs for the tank barrels sections only. Various tensile and compressive failure modes were considered, including general buckling of cylinders with a shell buckling knockdown factor. Eight independent combinations of three design requirements were also considered and their effects on the tanks weight. The approach was to investigate each design case with a variable shell buckling knockdown factor, determining the most weight efficient combination of orthogrid design parameters. Numerous optimization analyses were performed, and the results presented herein compare the effects of the different design requirements and shell buckling knockdown factor. Through a series of comparisons between design requirements or shell buckling knockdown factors, the relative change in overall tank barrel weights is shown. The findings indicate that the design requirements can substantually increase the tank weight while a less conservative shell buckling knockdown factor can modestly reduce the tank weight.

  1. Preparation and characterization of polymer-coated core-shell structured magnetic microbeads

    NASA Astrophysics Data System (ADS)

    Liu, Z. L.; Ding, Z. H.; Yao, K. L.; Tao, J.; Du, G. H.; Lu, Q. H.; Wang, X.; Gong, F. L.; Chen, X.

    2003-09-01

    Composite microbeads consisting of polymer-coated iron oxide nanoparticles are prepared by the microemulsion polymerization of styrene, divinyl benzene and methacrylic acid in the presence of emulsifiers. Fourier transform infrared spectrometer analysis indicates the presence of -COOH groups and Fe 3O 4 of the microbeads. The amount of -COOH groups localized on the surface, which is about 0.15 mmol/g, is determined by conductometric titration. Transmission electron microscope picture reveals that the microbeads have a core-shell structure. The dissolving experiments of microbeads in hydrochloric acid and toluene further identify the core-shell structure. Optical microscope indicates that the magnetic microbeads have uniform and spherical forms with the size of 1-5 μm. Magnetic sensitivity measurement indicates that the microbeads can be used conveniently. Magnetic property measurement shows very little residual magnetization and coercivity, which are below 0.5 emu/g and around 15 Oe, respectively. The magnetic properties are greatly related to the particle sizes. The thermal gravity analysis result shows the improvement of thermal stability. The experiment of immobilized antibody indicates that the functional groups on the surface are appropriate.

  2. Contact interaction of thin-walled elements with an elastic layer and an infinite circular cylinder under torsion

    NASA Astrophysics Data System (ADS)

    Kanetsyan, E. G.; Mkrtchyan, M. S.; Mkhitaryan, S. M.

    2018-04-01

    We consider a class of contact torsion problems on interaction of thin-walled elements shaped as an elastic thin washer – a flat circular plate of small height – with an elastic layer, in particular, with a half-space, and on interaction of thin cylindrical shells with a solid elastic cylinder, infinite in both directions. The governing equations of the physical models of elastic thin washers and thin circular cylindrical shells under torsion are derived from the exact equations of mathematical theory of elasticity using the Hankel and Fourier transforms. Within the framework of the accepted physical models, the solution of the contact problem between an elastic washer and an elastic layer is reduced to solving the Fredholm integral equation of the first kind with a kernel representable as a sum of the Weber–Sonin integral and some integral regular kernel, while solving the contact problem between a cylindrical shell and solid cylinder is reduced to a singular integral equation (SIE). An effective method for solving the governing integral equations of these problems are specified.

  3. Designing highly flexible and usable cyberinfrastructures for convergence.

    PubMed

    Herr, Bruce W; Huang, Weixia; Penumarthy, Shashikant; Börner, Katy

    2006-12-01

    This article presents the results of a 7-year-long quest into the development of a "dream tool" for our research in information science and scientometrics and more recently, network science. The results are two cyberinfrastructures (CI): The Cyberinfrastructure for Information Visualization and the Network Workbench that enjoy a growing national and interdisciplinary user community. Both CIs use the cyberinfrastructure shell (CIShell) software specification, which defines interfaces between data sets and algorithms/services and provides a means to bundle them into powerful tools and (Web) services. In fact, CIShell might be our major contribution to progress in convergence. Just as Wikipedia is an "empty shell" that empowers lay persons to share text, a CIShell implementation is an "empty shell" that empowers user communities to plug-and-play, share, compare and combine data sets, algorithms, and compute resources across national and disciplinary boundaries. It is argued here that CIs will not only transform the way science is conducted but also will play a major role in the diffusion of expertise, data sets, algorithms, and technologies across multiple disciplines and business sectors leading to a more integrative science.

  4. Homogeneous Nanodiamonds Are Different in Reality

    NASA Astrophysics Data System (ADS)

    Wu, Chi-Chin; Gottfried, Jennifer; Pesce-Rodriguez, Rose; Advanced Energetic Materials Team

    Commercial detonation nanodiamonds (ND) have been investigated for many applications. They consist of carbon nanoparticles with diamond cores surrounded by onion-like graphitic shells. Unfortunately, variations in the purity and carbon structure between commercial ND samples due to variations in synthesis and purification conditions is an ongoing issue, since these differences can affect the resulting application-dependent ND behavior. Via characterization with transmission electron microscopy, this work investigates the structural and chemical differences among nominally homologous commercial detonation ND sold by a single vendor under the same item number. Significant discrepancies in the carbon structure and crystallinity between different batches with similar sizes and shapes were identified. The ND containing more non-carbon entities as impurities and oxygen-containing surface functional groups were found to possess thicker graphitic shells surrounding an unstable diamond core which quickly transforms to graphite under electron beam irradiation. However, the structure of ND with higher purities and thin onion shells remain unchanged over extended exposure to electron beams. This study demonstrates the structural and chemical differences between nominally identical commercial detonation ND samples and reveals their influence on the decomposition behavior of the particles.

  5. Extraction of cellulose from pistachio shell and physical and mechanical characterisation of cellulose-based nanocomposites

    NASA Astrophysics Data System (ADS)

    Movva, Mounika; Kommineni, Ravindra

    2017-04-01

    Cellulose is an important nanoentity that have been used for the preparation of composites. The present work focuses on the extraction of cellulose from pistachio shell and preparing a partially degradable nanocomposite with extracted cellulose. Physical and microstructural characteristics of nanocellulose extracted from pistachio shell powder (PSP) through various stages of chemical treatment are identified from scanning electron microscopy (SEM), Fourier transform infra-red spectroscopy (FTIR), x-ray powder diffraction (XRD), and thermogravimetric analysis (TGA). Later, characterized nanocellulose is reinforced in a polyester matrix to fabricate nanocellulose-based composites according to the ASTM standard. The resulting nanocellulose composite performance is evaluated in the mechanical perspective through tensile and flexural loading. SEM, FTIR, and XRD showed that the process for extraction is efficient in obtaining 95% crystalline cellulose. Cellulose also showed good thermal stability with a peak thermal degradation temperature of 361 °C. Such cellulose when reinforced in a matrix material showed a noteworthy rise in tensile and flexural strengths of 43 MPa and 127 MPa, at a definite weight percent of 5%.

  6. Preparation and characterizaton of CaO nanoparticle for biodiesel production

    NASA Astrophysics Data System (ADS)

    Gupta, Jharna; Agarwal, Madhu

    2016-04-01

    Nanoparticle of CaO from calcium Nitrate (CaO/CaN) and Snail shell (CaO/SS) are successfully synthesized by method as described in the literature and used as an active and stable catalyst for the biodiesel production. These catalysts are characterized by Fourier-transform infrared spectra (FT-IR), X-ray diffraction (XRD), and thermal gravimetric analysis (TGA). The average crystalline size in nanometer was also calculated by Debye-Scherrer equation. The performance of the CaO/CaN and CaO/SS were tested for their catalytic activity via transesterification process and it was found that biodiesel yield has been increased from 93 to 96%. The optimum conditions for the highest yield were 8wt% catalyst loading, 65°C temperature, 12:1 methanol/oil molar ratio, and 6 h for reaction time. The nano catalyst from snail shell exhibits excellent catalytic activity and stability for the transesterification reaction, which suggested that this catalyst would be potentially used as a solid base nano catalyst for biodiesel production. In order to examine the reusability of catalyst developed from snail shell, five transesterification reaction cycles were also performed.

  7. Treatment of Refinery Waste Water Using Environmental Friendly Adsorbent

    NASA Astrophysics Data System (ADS)

    Devi, M. Geetha; Al-Moshrafi, Samira Mohammed Khamis; Al Hudaifi, Alaa; Al Aisari, Buthaina Hamood

    2017-12-01

    This research evaluates the effectiveness of activated carbon prepared from walnut shell in the removal of pollutants from refinery waste water by adsorption technique. A series of batch experiments were carried out by varying the effluent solution pH, stirring time, stirring speed and adsorbent dosage in the reduction of pollutants from refinery effluent. Characterization of the adsorbent was performed using Scanning Electron Microscopy (SEM), Brunauer Emmett and Teller (BET) isotherm and Fourier Transform Infrared (FTIR) Spectroscopy. The best quality activated carbon was obtained with a particle size of 0.75 µm, activation temperature of 800 °C and activation time 24 h. The maximum BET surface area obtained was 165.2653 m2/g. The experimental results demonstrates that the highest percentage reduction in COD was 79%, using 0.6 g walnut shell powder at an optimum stirring speed of 100 rpm, at pH 6 and 120 min of contact time. The outcome of the result shows that walnut shell carbon is a potentially useful adsorbent for the removal of pollutants from refinery waste water.

  8. Stimuli-responsive polyaniline coated silica microspheres and their electrorheology

    NASA Astrophysics Data System (ADS)

    Park, Dae Eun; Choi, Hyoung Jin; Vu, Cuong Manh

    2016-05-01

    Silica/polyaniline (PANI) core-shell structured microspheres were synthesized by coating the surface of silica micro-beads with PANI and applied as a candidate inorganic/polymer composite electrorheological (ER) material. The silica micro-beads were initially modified using N-[(3-trimethoxysilyl)-propyl] aniline to activate an aniline functional group on the silica surface for a better PANI coating. The morphology of the PANI coating on the silica surface was examined by scanning electron microscopy and the silica/PANI core-shell structure was confirmed by transmission electron microscopy. The chemical structure of the particles was confirmed by Fourier transform infrared spectroscopy. Rotational rheometry was performed to confirm the difference in the ER properties between pure silica and silica/PANI microsphere-based ER fluids when dispersed in silicone oil.

  9. Transformable DNA Nanocarriers for Plasma Membrane Targeted Delivery of Cytokine

    PubMed Central

    Sun, Wujin; Ji, Wenyan; Hu, Quanyin; Yu, Jicheng; Wang, Chao; Qian, Chenggen; Hochu, Gabrielle; Gu, Zhen

    2016-01-01

    Direct delivery of cytokines using nanocarriers holds great promise for cancer therapy. However, the nanometric scale of the vehicles made them susceptible to size-dependent endocytosis, reducing the plasma membrane-associated apoptosis signalling. Herein, we report a tumor microenvironment-responsive and transformable nanocarrier for cell membrane targeted delivery of cytokine. This formulation is comprised of a phospholipase A2 (PLA2) degradable liposome as a shell, and complementary DNA nanostructures (designated as nanoclews) decorated with cytokines as the cores. Utilizing the tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) as a model cytokine, we demonstrate that the TRAIL loaded DNA nanoclews are capable of transforming into nanofibers after PLA2 activation. The nanofibers with micro-scaled lengths efficiently present the loaded TRAIL to death receptors on the cancer cell membrane and amplified the apoptotic signalling with reduced TRAIL internalization. PMID:27131597

  10. Expert Panel Recommendations for Hanford Double-Shell Tank Life Extension

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

    Stewart, Charles W; Bush, Spencer H; Berman, Herbert Stanton

    2001-06-29

    Expert workshops were held in Richland in May 2001 to review the Hanford Double-Shell Tank Integrity Project and make recommendations to extend the life of Hanford's double-shell waste tanks. The workshop scope was limited to corrosion of the primary tank liner, and the main areas for review were waste chemistry control, tank inspection, and corrosion monitoring. Participants were corrosion experts from Hanford, Savannah River Site, Brookhaven National Lab., Pacific Northwest National Lab., and several consultants. This report describes the current state of the three areas of the program, the final recommendations of the workshop, and the rationale for their selection.

  11. A Computer Program which Uses an Expert Systems Approach to Identifying Minerals.

    ERIC Educational Resources Information Center

    Hart, Allan Bruce; And Others

    1988-01-01

    Described is a mineral identification program which uses a shell system for creating expert systems of a classification nature. Discusses identification of minerals in hand specimens, thin sections, and polished sections of rocks. (Author/CW)

  12. Program for impact testing of spar-shell fan blades, test report

    NASA Technical Reports Server (NTRS)

    Ravenhall, R.; Salemme, C. T.

    1978-01-01

    Six filament-wound, composite spar-shell fan blades were impact tested in a whirligig relative to foreign object damage resulting from ingestion of birds into the fan blades of a QCSEE-type engine. Four of the blades were tested by injecting a simulated two pound bird into the path of the rotating blade and two were tested by injecting a starling into the path of the blade.

  13. Coherent Extreme Ultraviolet Generation and Surface Studies Using Ultraviolet Excimer Lasers.

    DTIC Science & Technology

    1986-02-10

    of Outer-Shell Electrons" 7. "A Theoretical Model of Inner-Shell ......................... 30 A Excitation by Outer-Snell Electrons" E. "Anomalous...rays are feasible. Our work involves a program of activities, involving both experimental and theoretical components, to explore the physical... theoretical effort con- centrating on the character of high order multiquantum coupling in the inten- sity regime above 1017 WcM2 . In addition

  14. Photocatalyst of Perovskite CaTiO3 Nanopowder Synthesized from CaO derived from Snail Shell in Comparison with The Use of CaO and CaCO3

    NASA Astrophysics Data System (ADS)

    Fatimah, I.; Rahmadianti, Y.; Pudiasari, R. A.

    2018-04-01

    Calcium titanate belongs to the important group of compounds with a perovskite structure having high dielectric loss for various applications including photocatalysis mechanism. Refer to the principles of green chemistry, in this work preparation of CaTiO3 was conducted by using CaO derived from snail shell. Aim of this research are to study the physicochemical character of perovskite derived from snail shell and its comparison with CaO and CaCO3 as Ca sources. Material preparation was performed by solid reaction of Ca sources with TiO2 under comparison with CaO and CaCO3 precursors. Mixture of Ca sources with TiO2 in certain proportion were ground and calcined at the temperature of 200 °C for 2 hs. Materials were characterized by using X-ray diffractometer (XRD), Fourier Transform-Infra Red (FTIR) and the photocatalytic activity was tested by using methylene blue photooxidation. Perovskite synthesized using CaO derived from snail shell exhibits the similar XRD pattern with that were prepared by using CaO and CaCO3. From the photooxidation activity test, it is proven that CaTiO3 shows similar photocatalytic activity correspond to that were prepared by CaO and CaCO3. Utilazation of shell as agricultural waste of the synthesis of CaTiO3 perovskite is the novelty of this work. Furthermore, the study on material structure and photoactivity is the main focuses for the application in industry and environment.

  15. Robust electrodes based on coaxial TiC/C-MnO2 core/shell nanofiber arrays with excellent cycling stability for high-performance supercapacitors.

    PubMed

    Zhang, Xuming; Peng, Xiang; Li, Wan; Li, Limin; Gao, Biao; Wu, Guosong; Huo, Kaifu; Chu, Paul K

    2015-04-17

    A coaxial electrode structure composed of manganese oxide-decorated TiC/C core/shell nanofiber arrays is produced hydrothermally in a KMnO4 solution. The pristine TiC/C core/shell structure prepared on the Ti alloy substrate provides the self-sacrificing carbon shell and highly conductive TiC core, thus greatly simplifying the fabrication process without requiring an additional reduction source and conductive additive. The as-prepared electrode exhibits a high specific capacitance of 645 F g(-1) at a discharging current density of 1 A g(-1) attributable to the highly conductive TiC/C and amorphous MnO2 shell with fast ion diffusion. In the charging/discharging cycling test, the as-prepared electrode shows high stability and 99% capacity retention after 5000 cycles. Although the thermal treatment conducted on the as-prepared electrode decreases the initial capacitance, the electrode undergoes capacitance recovery through structural transformation from the crystalline cluster to layered birnessite type MnO2 nanosheets as a result of dissolution and further electrodeposition in the cycling. 96.5% of the initial capacitance is retained after 1000 cycles at high charging/discharging current density of 25 A g(-1). This study demonstrates a novel scaffold to construct MnO2 based SCs with high specific capacitance as well as excellent mechanical and cycling stability boding well for future design of high-performance MnO2-based SCs. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Photoluminescent enhancement of CdSe/Cd(1-x) Zn(x)S quantum dots by hexadecylamine at room temperature.

    PubMed

    Yang, Jie; Yang, Ping

    2012-09-01

    CdSe/Cd(1-x) Zn(x)S core/shell quantum dots (QDs) were fabricated in 1-octadecene via a two step synthesis. CdSe cores were first prepared using CdO, trioctylphosphine (TOP) selenium, and stearic acid. Subsquently, a Cd(1-x) Zn(x)S shell coating was carried out using zinc acetate dihydrate, cadmium acetate dihydrate, TOPS, and hexadecylamine (HDA) starting materials in the friendly organic system under relatively low temperature. The absorption and photoluminescence (PL) spectra have a significant red shift after the coverage of Cd(1-x)Zn(x)S shell on CdSe cores. The X-ray diffraction analysis of samples confirmed the formation of core/shell structure. The PL quantum yields (QYs) of CdSe/Cd(1-x)Zn(x)S QDs were improved gradually with time at room temperature. This is ascribed to the surface passivation of HDA to the QDs during store. This phenomenon was confirmed by the Fourier transform infrared spectrum of samples. Namely, HDA does not capped on the surface of as-prepared QDs, in which a low PL QYs was observed (less than 10%). Being storing for certain time, HDA attached to the surface of the QDs, in which the PL QYs increased (up to 31%) and the full width at half maximum of PL spectra decreased. Moreover, the fluorescence decay curve of the core/shell QDs is closer to a biexponential decay profile and has a longer average PL lifetime. The variation of average PL lifetime also indicated the influence of HDA during store.

  17. Synthesis and Characterization of Microencapsulated Phase Change Materials with Poly(urea-urethane) Shells Containing Cellulose Nanocrystals.

    PubMed

    Yoo, Youngman; Martinez, Carlos; Youngblood, Jeffrey P

    2017-09-20

    The main objective of this study is to develop microencapsulation technology for thermal energy storage incorporating a phase change material (PCM) in a composite wall shell, which can be used to create a stable environment and allow the PCM to undergo phase change without any outside influence. Surface modification of cellulose nanocrystals (CNCs) was conducted by grafting poly(lactic acid) oligomers and oleic acid to improve the dispersion of nanoparticles in a polymeric shell. A microencapsulated phase change material (methyl laurate) with poly(urea-urethane) (PU) composite shells containing the hydrophobized cellulose nanocrystals (hCNCs) was fabricated using an in situ emulsion interfacial polymerization process. The encapsulation process of the PCMs with subsequent interfacial hCNC-PU to form composite microcapsules as well as their morphology, composition, thermal properties, and release rates was examined in this study. Oil soluble Sudan II dye solution in methyl laurate was used as a model hydrophobic fill, representing other latent fills with low partition coefficients, and their encapsulation efficiency as well as dye release rates were measured spectroscopically in a water medium. The influence of polyol content in the PU polymer matrix of microcapsules was investigated. An increase in polyol contents leads to an increase in the mean size of microcapsules but a decrease in the gel content (degree of cross-linking density) and permeability of their shell structure. The encapsulated PCMs for thermal energy storage demonstrated here exhibited promising performance for possible use in building or paving materials in terms of released heat, desired phase transformation temperature, chemical and physical stability, and concrete durability during placement.

  18. 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.

  19. 77 FR 11492 - Notice of Availability of a Draft Environmental Assessment for the Issuance of Incidental...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-27

    ... Shell for the take of marine mammals incidental to offshore oil and gas exploratory drilling programs in... Mammals by Harassment Incidental to Conducting Exploratory Drilling Programs in the U.S. Beaufort and... take of marine mammals incidental to conducting offshore exploratory drilling programs in the U.S...

  20. A general UNIX interface for biocomputing and network information retrieval software.

    PubMed

    Kiong, B K; Tan, T W

    1993-10-01

    We describe a UNIX program, HYBROW, which can integrate without modification a wide range of UNIX biocomputing and network information retrieval software. HYBROW works in conjunction with a separate set of ASCII files containing embedded hypertext-like links. The program operates like a hypertext browser featuring five basic links: file link, execute-only link, execute-display link, directory-browse link and field-filling link. Useful features of the interface may be developed using combinations of these links with simple shell scripts and examples of these are briefly described. The system manager who supports biocomputing users should find the program easy to maintain, and useful in assisting new and infrequent users; it is also simple to incorporate new programs. Moreover, the individual user can customize the interface, create dynamic menus, hypertext a document, invoke shell scripts and new programs simply with a basic understanding of the UNIX operating system and any text editor. This program was written in C language and uses the UNIX curses and termcap libraries. It is freely available as a tar compressed file (by anonymous FTP from nuscc.nus.sg).

  1. Flutter: A finite element program for aerodynamic instability analysis of general shells of revolution with thermal prestress

    NASA Technical Reports Server (NTRS)

    Fallon, D. J.; Thornton, E. A.

    1983-01-01

    Documentation for the computer program FLUTTER is presented. The theory of aerodynamic instability with thermal prestress is discussed. Theoretical aspects of the finite element matrices required in the aerodynamic instability analysis are also discussed. General organization of the computer program is explained, and instructions are then presented for the execution of the program.

  2. Programming your way out of the past: ISIS and the META Project

    NASA Technical Reports Server (NTRS)

    Birman, Kenneth P.; Marzullo, Keith

    1989-01-01

    The ISIS distributed programming system and the META Project are described. The ISIS programming toolkit is an aid to low-level programming that makes it easy to build fault-tolerant distributed applications that exploit replication and concurrent execution. The META Project is reexamining high-level mechanisms such as the filesystem, shell language, and administration tools in distributed systems.

  3. From Mixed-Metal MOFs to Carbon-Coated Core-Shell Metal Alloy@Metal Oxide Solid Solutions: Transformation of Co/Ni-MOF-74 to CoxNi1-x@CoyNi1-yO@C for the Oxygen Evolution Reaction.

    PubMed

    Sun, Dengrong; Ye, Lin; Sun, Fangxiang; García, Hermenegildo; Li, Zhaohui

    2017-05-01

    Calcination of the mixed-metal species Co/Ni-MOF-74 leads to the formation of carbon-coated Co x Ni 1-x @Co y Ni 1-y O with a metal core diameter of ∼3.2 nm and a metal oxide shell thickness of ∼2.4 nm embedded uniformly in the ligand-derived carbon matrix. The close proximity of Co and Ni in the mixed-metal Co/Ni-MOF-74 promotes the metal alloying and the formation of a solid solution of metal oxide during the calcination process. The presence of the tightly coated carbon shell prohibits particle agglomeration and stabilizes the Co x Ni 1-x @Co y Ni 1-y O nanoparticles in small size. The Co x Ni 1-x @Co y Ni 1-y O@C derived from Co/Ni-MOF-74 nanocomposites show superior performance for the oxygen evolution reaction (OER). The use of mixed-metal MOFs as precursors represents a powerful strategy for the fabrication of metal alloy@metal oxide solid solution nanoparticles in small size. This method also holds great promise in the development of multifunctional carbon-coated complex core-shell metal/metal oxides owing to the diversified MOF structures and their flexible chemistry.

  4. Core/shell-type nanorods of Tb3+-doped LaPO4, modified with amine groups, revealing reduced cytotoxicity

    NASA Astrophysics Data System (ADS)

    Runowski, Marcin; Dąbrowska, Krystyna; Grzyb, Tomasz; Miernikiewicz, Paulina; Lis, Stefan

    2013-11-01

    A simple co-precipitation reaction between Ln3+ cations (Ln = lanthanide) and phosphate ions in the presence of polyethylene glycol (PEG), including post-treatment under hydrothermal conditions, leads to the formation of Tb3+-doped LaPO4 crystalline nanorods. The nanoparticles obtained can be successfully coated with amorphous and porous silica, forming core/shell-type nanorods. Both products reveal intensive green luminescence under UV lamp irradiation. The surface of the core/shell-type product can also be modified with -NH2 groups via silylation procedure, using 3-aminopropyltriethoxysilane as a modifier. Powder X-ray diffraction, transmission electron microscopy, and scanning electron microscopy confirm the desired structure and needle-like shape of the products synthesized. Fourier transform infrared spectroscopy and specific surface area measurements by Brunauer-Emmett-Teller method reveal a successful surface modification with amine groups of the core/shell-type nanoparticles prepared. The nanomaterials synthesized exhibit green luminescence characteristic of Tb3+ ions, as solid powders and aqueous colloids, examined by spectrofluorometry. The in vitro cytotoxicity studies reveal different degree toxicity of the products. LaPO4:Tb3+@SiO2@NH2 exhibits the smallest toxicity against B16F0 mouse melanoma cancer cells and human skin microvascular endothelial cell lines, in contrast to the most toxic LaPO4:Tb3+@SiO2.

  5. Preparation and Evaluation of Adsorbents from Coal and Irvingia gabonensis Seed Shell

    NASA Astrophysics Data System (ADS)

    Ezeokonkwo, Mercy A.; Ofor, Okechukwu F.; Ani, Julius U.

    2017-12-01

    The adsorption of Cd(II) and Pb(II) ions on adsorbents prepared from sub-bituminous coal, lignite and a blend of coal and Irvingia gabonensis seed shells was investigated. Fourier transform infrared, scanning electron microscope and X-ray fluorescence analyses implicated hydroxyl, carbonyl, Al2O3 and SiO2 as being responsible for binding the metal ions on the porous adsorbents. The optimum adsorption of carbonized lignite for the removal of Cd(II) and Pb(II) ions from aqueous media were 80.93% and 87.85%, respectively. Batch adsorption was done by effect of adsorbent dosage, pH, contact time, temperature, particle size, and initial concentration. Equilibrium for the removal of Pb(II) and Cd(II) was established within 100 and 120 min respectively. Blending the lignite-derived adsorbent with Irvingia gabonensis seed shell improved the performance significantly. More improvement was observed on modification of the blend using NaOH and H3PO4. Pb(II) was preferentially adsorbed than Cd(II) in all cases. Adsorption of Cd(II) and Pb(II) ions followed Langmuir isotherm. The kinetics of adsorption was best described by pseudo-second order model. The potential for using a blend of coal and agricultural byproduct (Irvingia gabonensis seed shell) was found to be a viable alternative for removal of toxic heavy metals from aqueous solutions.

  6. Laser ablation of Au-CuO core-shell nanocomposite in water for optoelectronic devices

    NASA Astrophysics Data System (ADS)

    Ismail, Raid A.; Abdul-Hamed, Ryam S.

    2017-12-01

    Core-shell gold-copper oxide Au-CuO nanocomposites were synthesized using laser ablation of CuO target in colloidal solution of Au nanoparticles (NPs). The effect of laser fluence on the structural, morphological, electrical, and optical properties of Au-CuO nanocomposites was investigated using x-ray diffraction (XRD), atomic force microscope (AFM), scanning electron microscope (SEM), transmission electron microscope (TEM), photoluminescence (PL), Fourier transformed infrared spectroscopy (FTIR), Hall measurement, and UV-vis spectroscopy. X-ray diffraction results confirm the formation of polycrystalline Au-CuO NPs with monoclinic structure. The optical energy gap for CuO was 4 eV and for the Au-CuO core-shell nanocomposites was found to be in the range of 3.4-3.7 eV. SEM and TEM investigations revealed that the structure and morphology of Au-CuO core-shell nanocomposites were strongly depending on the laser fluence. A formation of Au-CuO nanospheres and platelets structures was observed. The photoluminescence data showed an emission of broad visible peaks between 407 and 420 nm. The effect of laser fluence on the dark and illuminated I-V characteristics of Au-CuO/n-Si heterojunction photodetectors was investigated and analyzed. The experimental data demonstrated that the photodetector prepared at optimum laser fluence exhibited photosensitivity of 0.6 AW-1 at 800 nm.

  7. Universal analytical scattering form factor for shell-, core-shell, or homogeneous particles with continuously variable density profile shape.

    PubMed

    Foster, Tobias

    2011-09-01

    A novel analytical and continuous density distribution function with a widely variable shape is reported and used to derive an analytical scattering form factor that allows us to universally describe the scattering from particles with the radial density profile of homogeneous spheres, shells, or core-shell particles. Composed by the sum of two Fermi-Dirac distribution functions, the shape of the density profile can be altered continuously from step-like via Gaussian-like or parabolic to asymptotically hyperbolic by varying a single "shape parameter", d. Using this density profile, the scattering form factor can be calculated numerically. An analytical form factor can be derived using an approximate expression for the original Fermi-Dirac distribution function. This approximation is accurate for sufficiently small rescaled shape parameters, d/R (R being the particle radius), up to values of d/R ≈ 0.1, and thus captures step-like, Gaussian-like, and parabolic as well as asymptotically hyperbolic profile shapes. It is expected that this form factor is particularly useful in a model-dependent analysis of small-angle scattering data since the applied continuous and analytical function for the particle density profile can be compared directly with the density profile extracted from the data by model-free approaches like the generalized inverse Fourier transform method. © 2011 American Chemical Society

  8. Core/shell-type nanorods of Tb3+-doped LaPO4, modified with amine groups, revealing reduced cytotoxicity.

    PubMed

    Runowski, Marcin; Dąbrowska, Krystyna; Grzyb, Tomasz; Miernikiewicz, Paulina; Lis, Stefan

    2013-01-01

    A simple co-precipitation reaction between Ln 3+ cations (Ln = lanthanide) and phosphate ions in the presence of polyethylene glycol (PEG), including post-treatment under hydrothermal conditions, leads to the formation of Tb 3+ -doped LaPO 4 crystalline nanorods. The nanoparticles obtained can be successfully coated with amorphous and porous silica, forming core/shell-type nanorods. Both products reveal intensive green luminescence under UV lamp irradiation. The surface of the core/shell-type product can also be modified with -NH 2 groups via silylation procedure, using 3-aminopropyltriethoxysilane as a modifier. Powder X-ray diffraction, transmission electron microscopy, and scanning electron microscopy confirm the desired structure and needle-like shape of the products synthesized. Fourier transform infrared spectroscopy and specific surface area measurements by Brunauer-Emmett-Teller method reveal a successful surface modification with amine groups of the core/shell-type nanoparticles prepared. The nanomaterials synthesized exhibit green luminescence characteristic of Tb 3+ ions, as solid powders and aqueous colloids, examined by spectrofluorometry. The in vitro cytotoxicity studies reveal different degree toxicity of the products. LaPO 4 :Tb 3+ @SiO 2 @NH 2 exhibits the smallest toxicity against B16F0 mouse melanoma cancer cells and human skin microvascular endothelial cell lines, in contrast to the most toxic LaPO 4 :Tb 3+ @SiO 2 .

  9. Formation and cleaning function of physically cross-linked dual strengthened water-soluble chitosan-based core-shell particles.

    PubMed

    Dong, Yanrui; Xiao, Congming

    2017-09-01

    Facile and mild ionic cross-linking and freezing/thawing technologies were applied to prepare double strengthened core-shell particles by using water-soluble chitosan (WSC), sodium alginate (SA) and poly(vinyl alcohol) (PVA) as starting materials. The aqueous solution contained WSC and PVA was dropped in ethanol to form beads. The beads were converted into WSC/PVA hydrogel particles by being subjected to three freeze/thaw cycles. Subsequently, ionic cross-linked hydrogel layer was formed around each WSC/PVA particle to generate core-shell particulates. Fourier transform infrared spectra confirmed the combination among various components. Dynamic mechanical thermal analysis indicated that the storage modulus of the core-shell hydrogel was improved obviously. Thermogravimetric analysis exhibited the thermal stability of the particles was also enhanced by incorporation of PVA. It was found that the particles were able to adsorb carbon dioxide, lead ion and copper ion. The adsorption capacities of dry particles toward carbon dioxide, Pb(II) and Cu(II) could reach 199.62, 39.28 and 26.03mg/g, respectively. The rates of the particles for binding Pb(II) and Cu(II) at initial stage were 26.57 and 4.30%/min, respectively. These experimental results suggested that the particles were an efficient sorbent for removing hazardous substances such as carbon dioxide and heavy-metal ions. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Effective surface passivation of multi-shelled InP quantum dots through a simple complexing with titanium species

    NASA Astrophysics Data System (ADS)

    Jo, Jung-Ho; Kim, Min-Seok; Han, Chang-Yeol; Jang, Eun-Pyo; Do, Young Rag; Yang, Heesun

    2018-01-01

    Fluorescent efficiency of various visible quantum dots (QDs) has been incessantly improved to meet industrially high standard mainly through the advance in core/shell heterostructural design, however, their stability against degradable environments appears still lacking. The most viable strategy to cope with this issue was to exploit chemically inert oxide phases to passivate QD surface in the form of either individual overcoating or matrix embedding. Herein, we report a simple but effective means to passivate QD surface by complexing its organic ligands with a metal alkoxide of titanium isopropoxide (Ti(i-PrO)4). For this, highly efficient red-emitting InP QDs with a multi-shell structure of ZnSeS intermediate plus ZnS outer shell are first synthesized and then the surface of resulting InP/ZnSeS/ZnS QDs is in-situ decorated with Ti(i-PrO)4. The presence of Tisbnd O species from Ti(i-PrO)4 on QD surface is verified by x-ray photoelectron and Fourier transform infrared spectroscopic analyses. Two comparative dispersions of pristine versus Ti(i-PrO)4-complexed QDs are exposed for certain periods of time to UV photon and heat and their temporal changes in photoluminescence are monitored, resulting in a huge improvement in QD stability from the latter ones through Ti(i-PrO)4-mediated better surface passivation.

  11. A preliminary study for identification of candidate AFLP markers under artificial selection for shell color in pearl oyster Pinctada fucata.

    PubMed

    Zou, Keshu; Zhang, Dianchang; Guo, Huayang; Zhu, Caiyan; Li, Min; Jiang, Shigui

    2014-05-25

    Pearl oyster Pinctada fucata is widely cultured to produce seawater pearl in South China, and the quality of pearl is significantly affected by its shell color. Thus the Pearl Oyster Selective Breeding Program (POSBP) was carried out for the shell color and growth traits. The black (B), gold (G), red (R) and white (W) shell strains with fast growth trait were achieved after five successive generation selection. In this study, AFLP technique was used to scan genome of four strains with different shell colors to identify the candidate markers under artificial selection. Eight AFLP primer combinations were screened and yielded 688 loci, 676 (98.26%) of which were polymorphic. In black, gold, red and white strains, the percentage of polymorphic loci was 90.41%, 87.79%, 93.60% and 93.31%, respectively, Nei's gene diversity was 0.3225, 0.2829, 0.3221 and 0.3292, Shannon's information index was 0.4801, 0.4271, 0.4825 and 0.4923, and the value of FST was 0.1805. These results suggested that the four different shell color strains had high genetic diversity and great genetic differentiation among strains, which had been subjected to the continuous selective pressures during the artificial selective breeding. Furthermore, six outlier loci were considered as the candidate markers under artificial selection for shell color. This study provides a molecular evidence for the inheritance of shell color of P. fucata. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. 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.

  13. 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.

  14. 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

  15. Lattice dynamics of Cs2NaYbF6 and Cs2NaYF6 elpasolites: Ab initio calculation

    NASA Astrophysics Data System (ADS)

    Chernyshev, V. A.; Petrov, V. P.; Nikiforov, A. E.; Zakir'yanov, D. O.

    2015-06-01

    The ab initio calculations of the crystal structure and the phonon spectrum of Cs2NaYbF6 and Cs2NaYF6 crystals with the elpasolite structure have been performed. The frequencies and types of fundamental vibrations have been determined. The calculations have been performed in the framework of the density functional theory using the molecular orbital method with hybrid functionals in the CRYSTAL09 program developed for the simulation of periodic structures. The outer 5 s and 5 p shells of the rare-earth ion have been described in Gaussian-type basis sets. The influence of inner shells, including 4 f electron shells, on the outer shells has been described using the pseudopotential. It has been shown that this approach allows the description of the phonon spectrum with the inclusion of the splitting of the longitudinal and transverse optical modes.

  16. Hydrazine Catalyst Production: Sustaining S-405 Technology

    NASA Technical Reports Server (NTRS)

    Wucherer, E. J.; Cook, Timothy; Stiefel, Mark; Humphries, Randy, Jr.; Parker, Janet

    2003-01-01

    The development of the iridium-based Shell 405 catalyst for spontaneous decomposition of hydrazine was one of the key enabling technologies for today's spacecraft and launch vehicles. To ensure that this crucial technology was not lost when Shell elected to exit the business, Aerojet, supported by NASA, has developed a dedicated catalyst production facility that will supply catalyst for future spacecraft and launch vehicle requirements. We have undertaken a program to transfer catalyst production from Shell Chemical USA (Houston, TX) to Aerojet's Redmond, WA location. This technology transition was aided by Aerojet's 30 years of catalyst manufacturing experience and NASA diligence and support in sustaining essential technologies. The facility has produced and tested S-405 catalyst to existing Shell 405 specifications and standards. Our presentation will describe the technology transition effort including development of the manufacturing facility, capture of the manufacturing process, test equipment validation, initial batch build and final testing.

  17. Materials and process optimization for dual-shell satellite antenna reflectors

    NASA Astrophysics Data System (ADS)

    Balaski, Darcy R.; van Oyen, Hans J.; Nissan, Sorin J.

    A comprehensive, design-optimization test program was conducted for satellite antenna reflectors composed of two offset paraboloidal Kevlar-reinforced sandwich shells separated by a circular sandwich structure. In addition to standard mechanical properties testing, coefficient of thermal expansion and hygroscopic tests were conducted to predict reflector surface accuracy in the thermal cycling environment of orbital space. Attention was given to the relative placement of components during assembly, in view of reflector surface measurements.

  18. Transformational Logistics within the Infantry Brigade Combat Team (IBCT): Solutions or Shell Game?

    DTIC Science & Technology

    2006-05-25

    concerned – in food supply for the Allied population, in munitions for their armies, and in supplies for the AEF,” from reaching a strategic culmination...transfer supplies. During many occasions in both World Wars, manual labor was the only means available to get food , water, and ammunition to units on...supply point distribution of food , personal equipment, packaged POL, fuel, barrier materials, and

  19. Solvothermal transformation of a calcium oleate precursor into large-sized highly ordered arrays of ultralong hydroxyapatite microtubes.

    PubMed

    Lu, Bing-Qiang; Zhu, Ying-Jie; Chen, Feng; Qi, Chao; Zhao, Xin-Yu; Zhao, Jing

    2014-06-02

    Hydroxyapatite (HAP), a well-known member of the calcium phosphate family, is the major inorganic component of bones and teeth in vertebrates. The highly ordered arrays of HAP structures are of great significance for hard tissue repair and for understanding the formation mechanisms of bones and teeth. However, the synthesis of highly ordered HAP structure arrays remains a great challenge. In this work, inspired by the ordered structure of tooth enamel, we have successfully synthesized three-dimensional bulk materials with large sizes (millimeter scale) that are made of highly ordered arrays of ultralong HAP microtubes (HOAUHMs) by solvothermal transformation of calcium oleate precursor. The core-shell-structured oblate sphere consists of a core that is composed of HAP nanorods and a shell that consists of highly ordered HAP microtube arrays. The prepared HOAUHMs are large: 6.0 mm in diameter and up to 1.4 mm in thickness. With increasing solvothermal reaction time, the HOAUHMs grow larger; the microtubes become more uniform and more ordered. This work provides a new synthetic method for synthesizing highly ordered arrays of uniform HAP ultralong microtubes that are promising for biomedical applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Adsorption-oxidation of hydrogen sulfide on Fe/walnut-shell activated carbon surface modified by NH3-plasma.

    PubMed

    Ning, Ping; Liu, Sijian; Wang, Chi; Li, Kai; Sun, Xin; Tang, Lihong; Liu, Gui

    2018-02-01

    Walnut-shell activated carbon (WSAC) supported ferric oxide was modified by non-thermal plasma (NTP), and the removal efficiency for hydrogen sulfide over Fe/WSAC modified by dielectric barrier discharge (DBD) was significantly promoted. The sample modified for 10min and 6.8kV output (30V input voltage) maintained 100% H 2 S conversion over a long reaction time of 390min. The surface properties of adsorbents modified by NTP under different conditions were evaluated by the methods of X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) analysis and in-situ Fourier transform infrared spectroscopy (FTIR), to help understand the effect of the NTP treatment. NTP treatment enhanced the adsorption capacity of Fe/WSAC, which could due to the formation of micro-pores with sizes of 0.4, 0.5 and 0.75nm. XPS revealed that chemisorbed oxygen changed into lattice oxygen after NTP treatment, and lattice oxygen is beneficial for H 2 S oxidation. From the in-situ FTIR result, transformation of the reaction path on Fe/WSAC was observed after NTP modification. The research results indicate that NTP is an effective method to improve the surface properties of the Fe/WSAC catalyst for H 2 S adsorption-oxidation. Copyright © 2017. Published by Elsevier B.V.

  1. Atomistic simulations of activated processes in nanoparticles synthesis

    NASA Astrophysics Data System (ADS)

    Giberti, Federico; Galli, Giulia

    Core-shell and Janus nanopartices are promising building blocks for new, highly efficient solar cells. One of the most common synthetic pathways to produce such nanostructures is the use of cation exchange reactions. Although widely used, these procedures are not completely understood. We employed classical Molecular Dynamics and Monte Carlo simulations to understand these transformation at the molecular level; in particular we investigated the conversion from CdSe (sphalerite) to PbSe (rocksalt) NPs with 2-3 nm diameter. In order to recover the equilibrium free energy surfaces we used state of the art enhanced sampling techniques, including Metadynamics. The formation of hybrid core-shell structures resulted to be an activated process, where the limiting step is the transition of a sphalerite to a rocksalt PbSe nucleus. We found that the barrier height and the stability of the two phases depend on the size of the PbSe nucleus, suggesting that the process could proceed via a two step mechanism, where a small sphalerite nucleus is formed first, and it then transforms to a rocksalt nucleus. Our results give insight into possible manipulation processes at the molecular scale, which could be used to stabilize metastable NPs and tune their physical and chemical properties. This work was supported by the DOE Grant No. DE-FG02-06ER46262.

  2. Deciding Full Branching Time Logic by Program Transformation

    NASA Astrophysics Data System (ADS)

    Pettorossi, Alberto; Proietti, Maurizio; Senni, Valerio

    We present a method based on logic program transformation, for verifying Computation Tree Logic (CTL*) properties of finite state reactive systems. The finite state systems and the CTL* properties we want to verify, are encoded as logic programs on infinite lists. Our verification method consists of two steps. In the first step we transform the logic program that encodes the given system and the given property, into a monadic ω -program, that is, a stratified program defining nullary or unary predicates on infinite lists. This transformation is performed by applying unfold/fold rules that preserve the perfect model of the initial program. In the second step we verify the property of interest by using a proof method for monadic ω-programs.

  3. The 3-D ionization structure and evolution of NGC 7009 (Saturn Nebula)

    NASA Astrophysics Data System (ADS)

    Sabbadin, F.; Turatto, M.; Cappellaro, E.; Benetti, S.; Ragazzoni, R.

    2004-03-01

    Tomographic and 3-D analyses for extended, emission-line objects are applied to long-slit ESO NTT + EMMI high-resolution spectra of the intriguing planetary nebula NGC 7009, covered at twelve position angles. We derive the gas expansion law, the diagnostics and ionic radial profiles, the distance and the central star parameters, the nebular photo-ionization model and the spatial recovery of the plasma structure and evolution. The Saturn Nebula (distance≃1.4 kpc, age≃6000 yr, ionized mass≃0.18 M⊙) consists of several interconnected components, characterized by different morphology, physical conditions, excitation and kinematics. We identify four ``large-scale'', mean-to-high excitation sub-systems (the internal shell, the main shell, the outer shell and the halo), and as many ``small-scale'' ones: the caps (strings of low-excitation knots within the outer shell), the ansae (polar, low-excitation, likely shocked layers), the streams (high-excitation polar regions connecting the main shell with the ansae), and an equatorial, medium-to-low excitation pseudo-ring within the outer shell. The internal shell, the main shell, the streams and the ansae expand at Vexp≃4.0 × R arcsec km s-1, the outer shell, the caps and the equatorial pseudo-ring at Vexp≃3.15 × R arcsec km s-1, and the halo at Vexp≃10 km s-1. We compare the radial distribution of the physical conditions and the line fluxes observed in the eight sub-systems with the theoretical profiles coming from the photo-ionization code CLOUDY, inferring that all the spectral characteristics of NGC 7009 are explainable in terms of photo-ionization by the central star, a hot ( log T* ≃4.95) and luminous ( log L*/L⊙≃3.70) 0.60-0.61 M⊙ post-AGB star in the hydrogen-shell nuclear burning phase. The 3-D shaping of the Saturn Nebula is discussed within an evolutionary scenario dominated by photo-ionization and supported by the fast stellar wind: it begins with the superwind ejection (first isotropic, then polar deficient), passes through the neutral, transition phase ({lasting} ≃3000 yr), the ionization start (occurred ≃2000 yr ago), and the full ionization of the main shell (≃1000 yr ago), at last reaching the present days: the whole nebula is optically thin to the UV stellar flux, except the caps (mean latitude condensations in the outer shell, shadowed by the main shell) and the ansae (supersonic ionization fronts along the major axis). Based on observations made with: ESO Telescopes at the La Silla Observatories (program ID 65.I-0524), and the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Institute. Observing programs: GO 6117 (P.I. Bruce Balick), GO 6119 (P.I. Howard Bond) and GO 8390 (P.I. Arsen Hajian). STScI is operated by the association of Universities for Research in Astronomy, Inc. under the NASA contract NAS 5-26555. We extensively apply the photo-ionization code CLOUDY, developed at the Institute of Astronomy of the Cambridge University (Ferland et al. 1998).

  4. Planetary ecology; Proceedings of the Sixth International Symposium on Environmental Biogeochemistry, Santa Fe, NM, October 10-14, 1983

    NASA Technical Reports Server (NTRS)

    Caldwell, D. E. (Editor); Brierley, J. A. (Editor); Brierley, C. L. (Editor)

    1985-01-01

    Topics presented include biological evolution and planetary chemistry; C-1 compounds; transport, deposition, and weathering; sulfur transformations; ground water; transformation processes for nitrogen oxides; and soils. Papers are presented on immunological studies on the organic matrix of recent and fossil invertebrate shells; biogenic gases in sediments deposited since Miocene times on the Walvis Ridge, South Atlantic Ocean; aspects of the biogeochemistry of Big Soda Lake, NV; mesophilic manganese-oxidizing bacteria from hydrothermal discharge areas at 21 deg North on the East Pacific Rise; and autotrophic growth and iron oxidation and inhibition kinetics of Leptospirillum ferrooxidans. Consideration is also given to thermophilic archaebacteria occurring in submarine hydrothermal areas; fate of sulfate in a soft-water, acidic lake; geochemical conditions in the ground water environment; microbial transformations as sources and sinks for nitrogen oxides; and the biogeochemistry of soil phosphorus.

  5. Multiresolution forecasting for futures trading using wavelet decompositions.

    PubMed

    Zhang, B L; Coggins, R; Jabri, M A; Dersch, D; Flower, B

    2001-01-01

    We investigate the effectiveness of a financial time-series forecasting strategy which exploits the multiresolution property of the wavelet transform. A financial series is decomposed into an over complete, shift invariant scale-related representation. In transform space, each individual wavelet series is modeled by a separate multilayer perceptron (MLP). We apply the Bayesian method of automatic relevance determination to choose short past windows (short-term history) for the inputs to the MLPs at lower scales and long past windows (long-term history) at higher scales. To form the overall forecast, the individual forecasts are then recombined by the linear reconstruction property of the inverse transform with the chosen autocorrelation shell representation, or by another perceptron which learns the weight of each scale in the prediction of the original time series. The forecast results are then passed to a money management system to generate trades.

  6. Producing and marketing a specialty egg.

    PubMed

    Michella, S M; Slaugh, B T

    2000-07-01

    Eggland's Best, Inc. markets premium quality shell eggs under the Eggland's Best (EB) brand name. The company, started in 1988, is comprised of a franchise network of established egg producers and covers most of the United States. Eggland's Best provides its franchisees with marketing and technical support. The franchisees produce, process, and distribute EB eggs according to the strict program established and monitored by EB. Production follows the all-natural vegetarian feed program in accordance with the company's US patent entitled "Eggs Compatible with a Cholesterol Reducing Diet and Method of Producing the Same." The EB program excludes animal fat and other animal byproducts. Eggland's Best eggs have seven times the generic level of vitamin E, nearly three times more omega-3 fatty acids and iodine, and 25% less saturated fat than regular generic eggs. Eggland's Best has one of the finest shell egg quality assurance programs anywhere. Eggland's Best franchisees submit weekly egg samples that are analyzed for shell quality, interior quality, vitamin E, iodine, cholesterol and fatty acids. Samples of feed and the EB-patented feed supplement are also analyzed. Approximately 28,000 total laboratory tests are conducted annually. Nationwide product and display retail evaluations are contracted through an outside audit company (40 to 50 cities evaluated four times per year). All EB eggs are USDA graded according to EB's strict quality standards. Producers must follow a food safety quality assurance program (United Egg Producers Association 5-Star or equivalent state or company program). Each egg is stamped "EB" as assurance of meeting EB's highest standards of flavor, quality, and nutrition. Eggland's Best has enjoyed record sales growth for the past 3 yr.

  7. MicroShell Minimalist Shell for Xilinx Microprocessors

    NASA Technical Reports Server (NTRS)

    Werne, Thomas A.

    2011-01-01

    MicroShell is a lightweight shell environment for engineers and software developers working with embedded microprocessors in Xilinx FPGAs. (MicroShell has also been successfully ported to run on ARM Cortex-M1 microprocessors in Actel ProASIC3 FPGAs, but without project-integration support.) Micro Shell decreases the time spent performing initial tests of field-programmable gate array (FPGA) designs, simplifies running customizable one-time-only experiments, and provides a familiar-feeling command-line interface. The program comes with a collection of useful functions and enables the designer to add an unlimited number of custom commands, which are callable from the command-line. The commands are parameterizable (using the C-based command-line parameter idiom), so the designer can use one function to exercise hardware with different values. Also, since many hardware peripherals instantiated in FPGAs have reasonably simple register-mapped I/O interfaces, the engineer can edit and view hardware parameter settings at any time without stopping the processor. MicroShell comes with a set of support scripts that interface seamlessly with Xilinx's EDK tool. Adding an instance of MicroShell to a project is as simple as marking a check box in a library configuration dialog box and specifying a software project directory. The support scripts then examine the hardware design, build design-specific functions, conditionally include processor-specific functions, and complete the compilation process. For code-size constrained designs, most of the stock functionality can be excluded from the compiled library. When all of the configurable options are removed from the binary, MicroShell has an unoptimized memory footprint of about 4.8 kB and a size-optimized footprint of about 2.3 kB. Since MicroShell allows unfettered access to all processor-accessible memory locations, it is possible to perform live patching on a running system. This can be useful, for instance, if a bug is discovered in a routine but the system cannot be rebooted: Shell allows a skilled operator to directly edit the binary executable in memory. With some forethought, MicroShell code can be located in a different memory location from custom code, permitting the custom functionality to be overwritten at any time without stopping the controlling shell.

  8. Loop Integrands for Scattering Amplitudes from the Riemann Sphere

    NASA Astrophysics Data System (ADS)

    Geyer, Yvonne; Mason, Lionel; Monteiro, Ricardo; Tourkine, Piotr

    2015-09-01

    The scattering equations on the Riemann sphere give rise to remarkable formulas for tree-level gauge theory and gravity amplitudes. Adamo, Casali, and Skinner conjectured a one-loop formula for supergravity amplitudes based on scattering equations on a torus. We use a residue theorem to transform this into a formula on the Riemann sphere. What emerges is a framework for loop integrands on the Riemann sphere that promises to have a wide application, based on off-shell scattering equations that depend on the loop momentum. We present new formulas, checked explicitly at low points, for supergravity and super-Yang-Mills amplitudes and for n -gon integrands at one loop. Finally, we show that the off-shell scattering equations naturally extend to arbitrary loop order, and we give a proposal for the all-loop integrands for supergravity and planar super-Yang-Mills theory.

  9. Magnetic proximity effect and shell-ferromagnetism in metastable Ni50Mn45Ga5

    NASA Astrophysics Data System (ADS)

    Krenke, Thorsten; ćakır, Aslı; Scheibel, Franziska; Acet, Mehmet; Farle, Michael

    2016-12-01

    The present study on magnetic and structural properties of Ni50Mn45Ga5 confirms that structural metastability is an inherent property of Ni50Mn50-xXx Heusler alloys with X as In, Ga, and Sn. The ternary alloy transforms during temper-annealing into a dual-phase composite alloy. The two phases are identified to be cubic L21, Ni50Mn25Ga25, and tetragonal L10 Ni50Mn50. Depending on the annealing temperature, the magnetic-proximity effect giving rise to shell-ferromagnetism has been observed when annealing is carried out under an external magnetic field. The upper and lower remanence values MR+ and MR- have the same sign even at high temperatures. Such alloys can be promising candidates for heat- and magnetic-field-resistant magnetic recording media.

  10. URANIUM DIOXIDE OXIDATION WITH FORMING INTERMEDIATE PHASES (in German)

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

    Scheibe, H.; Ermischer, W.

    1964-02-01

    An experimental study was made of the UO/sub 2/ to U/sub 3/O/sub 8/ oxidation process. At low temperatures, depending on the activity of the powder, the oxidation of UO/sub 2/ yield a U/sub 3/O/sub 7/ shell around the UO/sub 2/ grain (160 to 220 deg C). Further oxidation is determined by the diffusion of oxygen through this shell and yields U/sub 5/O/sub 12/ (280 to 290 deg C). Their follows U/sub 5/O/sub (375 to 400 deg C) and finally U/sub 3/O/sub 8/ as more oxigen is absorbed. No further increase of the oxygen content occurs up to 800 deg C.more » The exothermal effects established through differential thermal analysis may be due to lattice transformation. (OTS)« less

  11. Plugged in: Positive Development Strategies for Disconnected Latino Youth. A Report of the NCLR Escalera Program

    ERIC Educational Resources Information Center

    Hageage, Ana

    2011-01-01

    This report profiles the National Council of La Raza (NCLR) Escalera Program: Taking Steps to Success, a Latino-serving, community-based youth workforce development program, which was developed in 2001 in partnership with the PepsiCo Foundation and PepsiCo, Inc. and expanded in 2008 with the support of Shell Oil Company. The Escalera Program:…

  12. 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

  13. 75 FR 33445 - U.S. Citizenship and Immigration Services Fee Schedule

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-11

    .... TPS--Temporary Protected Status. TPO--Transformation Program Office. TTPI--Trust Territory of the... Transformation Coordination for near- and long-term investments to strategically improve USCIS operations),\\6... transformation of USCIS operations under its transformation program. To improve operational efficiency, enhance...

  14. A Novel Polyaniline-Coated Bagasse Fiber Composite with Core-Shell Heterostructure Provides Effective Electromagnetic Shielding Performance.

    PubMed

    Zhang, Yang; Qiu, Munan; Yu, Ying; Wen, Bianying; Cheng, Lele

    2017-01-11

    A facile route was proposed to synthesize polyaniline (PANI) uniformly deposited on bagasse fiber (BF) via a one-step in situ polymerization of aniline in the dispersed system of BF. Correlations between the structural, electrical, and electromagnetic properties were extensively investigated. Scanning electron microscopy images confirm that the PANI was coated dominantly on the BF surface, indicating that the as-prepared BF/PANI composite adopted the natural and inexpensive BF as its core and the PANI as the shell. Fourier transform infrared spectra suggest significant interactions between the BF and PANI shell, and a high degree of doping in the PANI shell was achieved. X-ray diffraction results reveal that the crystallization of the PANI shell was improved. The dielectric behaviors are analyzed with respect to dielectric constant, loss tangent, and Cole-Cole plots. The BF/PANI composite exhibits superior electrical conductivity (2.01 ± 0.29 S·cm -1 ), which is higher than that of the pristine PANI with 1.35 ± 0.15 S·cm -1 . The complex permittivity, electromagnetic interference (EMI), shielding effectiveness (SE) values, and attenuation constants of the BF/PANI composite were larger than those of the pristine PANI. The EMI shielding mechanisms of the composite were experimentally and theoretically analyzed. The absorption-dominated total EMI SE of 28.8 dB at a thickness of 0.4 mm indicates the usefulness of the composite for electromagnetic shielding. Moreover, detailed comparison of electrical and EMI shielding properties with respect to the BF/PANI, dedoped BF/PANI composite, and the pristine PANI indicate that the enhancement of electromagnetic properties for the BF/PANI composite was due to the improved conductivity and the core-shell architecture. Thus, the composite has potential commercial applications for high-performance electromagnetic shielding materials and also could be used as a conductive filler to endow polymers with electromagnetic shielding ability.

  15. Hydration energies and structures of alkaline earth metal ions, M2+(H2O)n, n = 5-7, M = Mg, Ca, Sr, and Ba.

    PubMed

    Rodriguez-Cruz, S E; Jockusch, R A; Williams, E R

    1999-09-29

    The evaporation of water from hydrated alkaline earth metal ions, produced by electrospray ionization, was studied in a Fourier transform mass spectrometer. Zero-pressure-limit dissociation rate constants for loss of a single water molecule from the hydrated divalent metal ions, M(2+)(H(2)O)(n) (M = Mg, Ca, and Sr for n = 5-7, and M = Ba for n = 4-7), are measured as a function of temperature using blackbody infrared radiative dissociation. From these values, zero-pressure-limit Arrhenius parameters are obtained. By modeling the dissociation kinetics using a master equation formalism, threshold dissociation energies (E(o)) are determined. These reactions should have a negligible reverse activation barrier; therefore, E(o) values should be approximately equal to the binding energy or hydration enthalpy at 0 K. For the hepta- and hexahydrated ions at low temperature, binding energies follow the trend expected on the basis of ionic radii: Mg > Ca > Sr > Ba. For the hexahydrated ions at high temperature, binding energies follow the order Ca > Mg > Sr > Ba. The same order is observed for the pentahydrated ions. Collisional dissociation experiments on the tetrahydrated species result in relative dissociation rates that directly correlate with the size of the metals. These results indicate the presence of two isomers for hexahydrated magnesium ions: a low-temperature isomer in which the six water molecules are located in the first solvation shell, and a high-temperature isomer with the most likely structure corresponding to four water molecules in the inner shell and two water molecules in the second shell. These results also indicate that the pentahydrated magnesium ions have a structure with four water molecules in the first solvation shell and one in the outer shell. The dissociation kinetics for the hexa- and pentahydrated clusters of Ca(2+), Sr(2+), and Ba(2+) are consistent with structures in which all the water molecules are located in the first solvation shell.

  16. Chemical synthesis and characterization of hollow dopamine coated, pentagonal and flower shaped magnetic iron oxide nanoparticles

    NASA Astrophysics Data System (ADS)

    Riasat, Rabia; Kaynat, Sumbal

    2018-04-01

    Iron oxide nanoparticles have gained attention recently in the field of nanoscience and technology due to their unique physicochemical properties. We hereby chemically synthesized novel pentagonal flower shaped iron oxide nanoparticles by thermal decomposition of iron penta-carbonyl in a two way annealing process. Controlled oxidation by acid etching was performed for these nanoparticles. At first 13 nm core shell nanoparticles of iron oxide (Fe/Fe3O4) were synthesized at 120°C annealing temperature that act as template material. The core shell nanoparticles then converted into porous hollow core shell nanoparticles (PH Fe/ Fe3O4) in a two way annealing process of heating, first at 100°C then at 250°C and heating rate of 5°C was kept constant throughout the reaction time. X-Ray diffraction (XRD) was done for the phase confirmation of as synthesized nanoparticles. Transmission electron microscopy (TEM) and higher resolution transmission electron microscopy (HRTEM) clearly shows the flower like nanoparticles that are approx. 16 nm-18 nm in size having the 4-5 nm core of Fe and 1-2 nm of the pores in the shell while the cavity between the shell and core is about 2 nm and the shell is 4-5 nm in diameter according to the TEM micrographs. The as prepared nanoparticles were then surface functionalized by dopamine polymer to make them water dispersible. Fourier transform Infrared spectroscopy confirmed the dopamine coating on the nanoparticles and the magnetic saturation of 38 emu/g of nanoparticles was analyzed by vibrating sample magnetometer (VSM). Magnetic saturation persists in the dopamine coated nanoparticles. These nanoparticles were surface functionalized with dopamine and show dispersity in the aqueous media and can further be exploited in many nano-biotechnological applications including target specific therapeutic applications for several diseases.

  17. THREED: A computer program for three dimensional transformation of coordinates. [in lunar photo triangulation mapping

    NASA Technical Reports Server (NTRS)

    Wong, K. W.

    1974-01-01

    Program THREED was developed for the purpose of a research study on the treatment of control data in lunar phototriangulation. THREED is the code name of a computer program for performing absolute orientation by the method of three-dimensional projective transformation. It has the capability of performing complete error analysis on the computed transformation parameters as well as the transformed coordinates.

  18. Demonstration of Enabling Spar-Shell Cooling Technology in Gas Turbines

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

    Downs, James

    2014-12-29

    In this Advanced Turbine Program-funded Phase III project, Florida Turbine Technologies, Inc. (FTT) has developed and tested, at a pre-commercial prototypescale, spar-shell turbine airfoils in a commercial gas turbine. The airfoil development is based upon FTT’s research and development to date in Phases I and II of Small Business Innovative Research (SBIR) grants. During this program, FTT has partnered with an Original Equipment Manufacturer (OEM), Siemens Energy, to produce sparshell turbine components for the first pre-commercial prototype test in an F-Class industrial gas turbine engine and has successfully completed validation testing. This project will further the commercialization of this newmore » technology in F-frame and other highly cooled turbine airfoil applications. FTT, in cooperation with Siemens, intends to offer the spar-shell vane as a first-tier supplier for retrofit applications and new large frame industrial gas turbines. The market for the spar-shell vane for these machines is huge. According to Forecast International, 3,211 new gas turbines units (in the >50MW capacity size range) will be ordered in ten years from 2007 to 2016. FTT intends to enter the market in a low rate initial production. After one year of successful extended use, FTT will quickly ramp up production and sales, with a target to capture 1% of the market within the first year and 10% within 5 years (2020).« less

  19. Transport composite fuselage technology: Impact dynamics and acoustic transmission

    NASA Technical Reports Server (NTRS)

    Jackson, A. C.; Balena, F. J.; Labarge, W. L.; Pei, G.; Pitman, W. A.; Wittlin, G.

    1986-01-01

    A program was performed to develop and demonstrate the impact dynamics and acoustic transmission technology for a composite fuselage which meets the design requirements of a 1990 large transport aircraft without substantial weight and cost penalties. The program developed the analytical methodology for the prediction of acoustic transmission behavior of advanced composite stiffened shell structures. The methodology predicted that the interior noise level in a composite fuselage due to turbulent boundary layer will be less than in a comparable aluminum fuselage. The verification of these analyses will be performed by NASA Langley Research Center using a composite fuselage shell fabricated by filament winding. The program also developed analytical methodology for the prediction of the impact dynamics behavior of lower fuselage structure constructed with composite materials. Development tests were performed to demonstrate that the composite structure designed to the same operating load requirement can have at least the same energy absorption capability as aluminum structure.

  20. Material Distribution Optimization for the Shell Aircraft Composite Structure

    NASA Astrophysics Data System (ADS)

    Shevtsov, S.; Zhilyaev, I.; Oganesyan, P.; Axenov, V.

    2016-09-01

    One of the main goal in aircraft structures designing isweight decreasing and stiffness increasing. Composite structures recently became popular in aircraft because of their mechanical properties and wide range of optimization possibilities.Weight distribution and lay-up are keys to creating lightweight stiff strictures. In this paperwe discuss optimization of specific structure that undergoes the non-uniform air pressure at the different flight conditions and reduce a level of noise caused by the airflowinduced vibrations at the constrained weight of the part. Initial model was created with CAD tool Siemens NX, finite element analysis and post processing were performed with COMSOL Multiphysicsr and MATLABr. Numerical solutions of the Reynolds averaged Navier-Stokes (RANS) equations supplemented by k-w turbulence model provide the spatial distributions of air pressure applied to the shell surface. At the formulation of optimization problem the global strain energy calculated within the optimized shell was assumed as the objective. Wall thickness has been changed using parametric approach by an initiation of auxiliary sphere with varied radius and coordinates of the center, which were the design variables. To avoid a local stress concentration, wall thickness increment was defined as smooth function on the shell surface dependent of auxiliary sphere position and size. Our study consists of multiple steps: CAD/CAE transformation of the model, determining wind pressure for different flow angles, optimizing wall thickness distribution for specific flow angles, designing a lay-up for optimal material distribution. The studied structure was improved in terms of maximum and average strain energy at the constrained expense ofweight growth. Developed methods and tools can be applied to wide range of shell-like structures made of multilayered quasi-isotropic laminates.

  1. Enhanced Adsorption of Trivalent Arsenic from Water by Functionalized Diatom Silica Shells

    PubMed Central

    Zhang, Zhijian; Xu, Liping; Zhang, Chunlong

    2015-01-01

    The potential of porous diatom silica shells as a naturally abundant low-cost sorbent for the removal of arsenic in aqueous solutions was investigated in a batch study. The objective of this work was to chemically modify the silica shells of a diatom Melosira sp. with bifunctional (thiol and amino) groups to effectively remove arsenic in its toxic As(III) form (arsenite) predominant in the aquatic environment. Sorption experiments with this novel sorbent were conducted under varying conditions of pH, time, dosage, and As(III) concentration. A maximum adsorption capacity of 10.99 mg g-1 was achieved within 26 h for a solution containing 12 mg L-1 As(III) at pH 4 and sorbent dosage of 2 g L-1. The functionalized diatom silica shells had a surface morphological change which was accompanied by increased pore size at the expense of reduced specific surface area and total pore volume. As(III) adsorption was best fitted with the Langmuir-Freundlich model, and the adsorption kinetic data using pore surface diffusion model showed that both the external (film) and internal (intraparticle) diffusion can be rate-determining for As(III) adsorption. Fourier transform infrared spectroscopy (FTIR) indicated that the thiol and amino groups potentially responsible for As(III) adsorption were grafted on the surface of diatom silica shells. X-ray photoelectron spectroscopy (XPS) further verified that this unique sorbent proceeded via a chemisorption mechanism through the exchange between oxygen-containing groups of neutral As(III) and thiol groups, and through the surface complexation between As(III) and protonated nitrogen and hydroxyl groups. Results indicate that this functionalized bioadsorbent with a high As(III) adsorption capacity holds promise for the treatment of As(III) containing wastewater. PMID:25837498

  2. Template-etching route to construct uniform rattle-type Fe3O4@SiO2 hollow microspheres as drug carrier.

    PubMed

    Cheng, Lin; Liu, Yuanyuan; Zou, Bingfang; Yu, Yong; Ruan, Weimin; Wang, Yongqiang

    2017-06-01

    Template-etching strategy was put forward to synthesize rattle-type magnetic silica (Fe 3 O 4 @SiO 2 ) hollow microspheres in a controlled way. During the experiment, monodisperse Fe 2 O 3 microspheres were fabricated as physical template to generate uniform Fe 2 O 3 @SiO 2 with controlled shell thicknesses through sol-gel method, and the subsequent Fe 2 O 3 template etching process created variable space between Fe 2 O 3 core and SiO 2 shell, and the final calcination process transformed rattle-type Fe 2 O 3 @SiO 2 hollow microspheres into corresponding Fe 3 O 4 @SiO 2 product in hydrogen/nitrogen atmosphere. Compared with traditional physical template, here template-etching synthesis of rattle-type hollow microspheres saved the insertion of middle shells and their removal, which simplified the synthesis process with controllable core size and shell thickness. The rattle-type Fe 3 O 4 @SiO 2 hollow microspheres as drug carrier show efficient doxorubicin (DOX) loading, and the release rate of DOX loaded the rattle-type Fe 3 O 4 @SiO 2 hollow microspheres exhibit a surprising shell-thickness-dependent and a pH responsive drug release features. Additionally, MTT assays in HeLa cells demonstrated that the Fe 3 O 4 @SiO 2 nanocarriers were non-toxic even at the concentration of 250µgmL -1 for 48h. Thus, our results revealed that the Fe 3 O 4 @SiO 2 -DOX could play an important role in the development of intracellular delivery nanodevices for cancer therapy. Copyright © 2017. Published by Elsevier B.V.

  3. Improvement on controllable fabrication of streptavidin-modified three-layer core-shell Fe3O4@SiO2@Au magnetic nanocomposites with low fluorescence background.

    PubMed

    Jiang, Hongrong; Zeng, Xin; Xi, Zhijiang; Liu, Ming; Li, Chuanyan; Li, Zhiyang; Jin, Lian; Wang, Zhifei; Deng, Yan; He, Nongyue

    2013-04-01

    In present study, we put forward an approach to prepare three-layer core-shell Fe3O4@SiO2@Au magnetic nanocomposites via the combination of self-assembling, seed-mediated growing and multi-step chemical reduction. The Fe3O4@SiO2@Au magnetic nanocomposites were analyzed and characterized by transmission electron microscope (TEM), scanning electronic microscope (SEM), energy dispersive spectrometer analysis (EDS), Fourier transform infrared spectroscopy (FT-IR), vibrating sample magnetometer (VSM), and ultraviolet and visible spectrophotometer (UV-Vis). TEM and SEM characterizations showed that the FeO4@SiO2@Au nanocomposites were obtained successfully with three-layer structures, especially a layer of thin, smooth and continuous gold shell. The average diameter of Fe3O4@SiO2@Au nanocomposites was about 600 nm and an excellent dispersity was observed for the as-prepared nanoparticles. EDS characterizations demonstrated that the nanocomposites contained three elements of the precursors, Fe, Si, and Au. Furthermore, FT-IR showed that the silica and gold shell were coated successfully. UV-Vis and VSM characterizations showed that the Fe3O4@SiO2@Au nanocomposites exhibited good optical and magnetic property, and the saturation magnetization was 25.76 emu/g. In conclusion, the Fe3O4@SiO2@Au magnetic nanocomposites with three-layer core-shell structures were prepared. Furthermore, Fe3O4@SiO2@Au magnetic nanocomposites were modified with streptavidin (SA) successfully, and it was validated that they performed low fluorescence background, suggesting that they should have good applications especially in bioassay based on fluorescence detection through bonding the biotinylated fluorescent probes.

  4. Synthesis of optimized indium phosphide/zinc sulfide core/shell nanocrystals and titanium dioxide nanotubes for quantum dot sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Lee, Seungyong

    Synthesis of InP/ZnS core/shell nanocrystals and TiO 2 nanotubes and the optimization study to couple them together were explored for quantum dot sensitized solar cells. Its intrinsic nontoxicity makes the direct band gap InP/ZnS core/shell be one of the most promising semiconductor nanocrystals for optoelectric applications, with the advantage of tuning the optical absorption range in the desired solar spectrum region. Highly luminescent and monodisperse InP/ZnS nanocrystals were synthesized in a non-coordinating solvent. By varying the synthesis scheme, different size InP/ZnS nanocrystals with emission peaks ranging from 520 nm to 620 nm were grown. For the purpose of ensuring air stability, a ZnS shell was grown. The ZnS shell improves the chemical stability in terms of oxidation prevention. Transmission electron microscopy (TEM) image shows that the nanocrystals are highly crystalline and monodisperse. Free-standing TiO2 nanotubes were produced by an anodization method using ammonium fluoride. The free-standing nanotubes were formed under the condition that the chemical dissolution speed associated with fluoride concentration was faster than the speed of Ti oxidation. Highly ordered free-standing anatase form TiO2 nanotubes, which are transformed by annealing at the optimized temperature, are expected to be ideal for coupling with the prepared InP/ZnS nanocrystals. Electrophoretic deposition was carried out to couple the InP/ZnS nanocrystals with the TiO2 nanotubes. Under the adjusted applied voltage condition, the current during the electrophoretic deposition decreased continuously with time. The amount of the deposited nanocrystals was estimated by calculation and the evenly deposited nanocrystals on the TiO2 nanotubes were observed by TEM.

  5. 77 FR 40628 - HUD's Fiscal Year (FY) 2012 Transformation Initiative: Natural Experiments Research Grant Program...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-10

    ... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT [Docket No. FR-5600-N-18-C-1] HUD's Fiscal Year (FY) 2012 Transformation Initiative: Natural Experiments Research Grant Program, Cancellation AGENCY: Office... Availability (NOFA) ``Transformation Initiative: Natural Experiments Grant Program'' on Grants.gov . The close...

  6. 77 FR 27475 - Announcement of Funding Awards; Choice Neighborhoods Grant Program for Fiscal Years (FY) 2010 and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-10

    ... community development centered on housing transformation. The program aims to transform neighborhoods of...-functioning services, effective schools and education programs, public assets, public transportation, and improved access to jobs. Choice Neighborhoods grants primarily funds the transformation of public and/or...

  7. A FAST POLYNOMIAL TRANSFORM PROGRAM WITH A MODULARIZED STRUCTURE

    NASA Technical Reports Server (NTRS)

    Truong, T. K.

    1994-01-01

    This program utilizes a fast polynomial transformation (FPT) algorithm applicable to two-dimensional mathematical convolutions. Two-dimensional convolution has many applications, particularly in image processing. Two-dimensional cyclic convolutions can be converted to a one-dimensional convolution in a polynomial ring. Traditional FPT methods decompose the one-dimensional cyclic polynomial into polynomial convolutions of different lengths. This program will decompose a cyclic polynomial into polynomial convolutions of the same length. Thus, only FPTs and Fast Fourier Transforms of the same length are required. This modular approach can save computational resources. To further enhance its appeal, the program is written in the transportable 'C' language. The steps in the algorithm are: 1) formulate the modulus reduction equations, 2) calculate the polynomial transforms, 3) multiply the transforms using a generalized fast Fourier transformation, 4) compute the inverse polynomial transforms, and 5) reconstruct the final matrices using the Chinese remainder theorem. Input to this program is comprised of the row and column dimensions and the initial two matrices. The matrices are printed out at all steps, ending with the final reconstruction. This program is written in 'C' for batch execution and has been implemented on the IBM PC series of computers under DOS with a central memory requirement of approximately 18K of 8 bit bytes. This program was developed in 1986.

  8. Temperature-Dependent Second Shell Interference in the First Shell Analysis of Crystalline InP X-ray Absorption Spectroscopy Data

    NASA Astrophysics Data System (ADS)

    Schnohr, Claudia S.; Araujo, Leandro L.; Ridgway, Mark C.

    2014-09-01

    Analysing only the first nearest neighbour (NN) scattering signal is a commonly used and often successful way to treat extended X-ray absorption fine structure data. However, using temperature-dependent measurements of InP as an example, we demonstrate how this approach can lead to erroneous first NN structural parameters in systems with a weak first but strong second NN scatterer. In such cases, particularly low temperature data may suffer from an overlap of first and second NN scattering signals caused by the Fourier transformation (FT) even if the dominant peaks appear to be well separated. The first NN structural parameters then vary as a function of the FT settings if only the first NN scattering contribution is considered in the analysis. Although this variation is small, it can also lead to significant differences in other calculated properties such as the Einstein temperature. We demonstrate that these variations can be avoided either by choosing an appropriate FT window or by including the scattering contributions of higher shells in the analysis. The latter is achieved by a path fitting approach and yields structural parameters independent of the FT settings used.

  9. Acoustic cymbal performance under hydrostatic pressure

    NASA Astrophysics Data System (ADS)

    Jenne, Kirk E.; Huang, Dehua; Howarth, Thomas R.

    2004-05-01

    Continual awareness about the need to develop light-weight, low-volume, broadband, underwater acoustic projector and receive arrays that perform consistently in diverse environments is evident in recent Navy acoustic system initiatives. Acoustic cymbals, so named for resemblance to the percussive musical instruments, are miniature flextensional transducers that may perhaps meet the performance criteria for consistent performance under hydrostatic pressure after modifications in the design. These acoustic cymbals consist of a piezoceramic disk (or ring) bonded to two opposing cymbal-shaped metal shells. Operating as mechanical transformers, the two metal shells convert the large generative force inherently within the disk's radial mode into increased volume displacement at the metal shell surface to obtain volume displacement that translates into usable source levels and/or sensitivities at sonar frequencies in a relatively broad band. The air-backed design for standard acoustic cymbal transducers presents a barrier to deepwater applications. A new acoustic cymbal design for high-pressure applications will be presented for the first time. This practical pressure compensation is designed to diminish the effects of hydrostatic pressure to maintain consistent acoustic cymbal performance. Transmit and receive performance data, determined at the Naval Undersea Warfare Center's (NUWC) Acoustic Pressure Tank Facility (APTF), is presented.

  10. Periodic organosilica hollow nanospheres as anode materials for lithium ion rechargeable batteries.

    PubMed

    Sasidharan, Manickam; Nakashima, Kenichi; Gunawardhana, Nanda; Yokoi, Toshiyuki; Ito, Masanori; Inoue, Masamichi; Yusa, Shin-ichi; Yoshio, Masaki; Tatsumi, Takashi

    2011-11-01

    Polymeric micelles with core-shell-corona architecture have been found to be the efficient colloidal templates for synthesis of periodic organosilica hollow nanospheres over a broad pH range from acidic to alkaline media. In alkaline medium, poly (styrene-b-[3-(methacryloylamino)propyl] trimethylammonium chloride-b-ethylene oxide) (PS-PMAPTAC-PEO) micelles yield benzene-silica hollow nanospheres with molecular scale periodicity of benzene groups in the shell domain of hollow particles. Whereas, an acidic medium (pH 4) produces diverse hollow particles with benzene, ethylene, and a mixture of ethylene and dipropyldisulfide bridging functionalities using poly(styrene-b-2-vinyl pyridine-b-ethylene oxide) (PS-PVP-PEO) micelles. These hollow particles were thoroughly characterized by powder X-ray diffraction (XRD), dynamic light scattering (DLS), thermogravimetric analysis (TG/DTA), Fourier transformation infrared (FTIR) spectroscopy, transmission electron microscopy (TEM), magic angle spinning-nuclear magnetic resonance ((29)Si MAS NMR and (13)CP-MAS NMR), Raman spectroscopy, and nitrogen adsorption/desorption analyses. The benzene-silica hollow nanospheres with molecular scale periodicity in the shell domain exhibit higher cycling performance of up to 300 cycles in lithium ion rechargeable batteries compared with micron-sized dense benzene-silica particles.

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

    Yao, Aihua, E-mail: aihyao@126.com; Ai, Fanrong; Liu, Xin

    Hollow hydroxyapatite microspheres, consisting of a hollow core and a porous shell, were prepared by converting Li{sub 2}O-CaO-B{sub 2}O{sub 3} glass microspheres in dilute phosphate solution at 37 {sup o}C. The results confirmed that Li{sub 2}O-CaO-B{sub 2}O{sub 3} glass was transformed to hydroxyapatite without changing the external shape and dimension of the original glass object. Scanning electron microscopy images showed the shell wall of the microsphere was built from hydroxyapatite particles, and these particles spontaneously align with one another to form a porous sphere with an interior cavity. Increase in phosphate concentration resulted in an increase in the reaction rate,more » which in turn had an effect on shell wall structure of the hollow hydroxyapatite microsphere. For the Li{sub 2}O-CaO-B{sub 2}O{sub 3} glass microspheres reacted in low-concentration K{sub 2}HPO{sub 4} solution, lower reaction rate and a multilayered microstructure were observed. On the other hand, the glass microspheres reacted in higher phosphate solution converted more rapidly and produced a single hydroxyapatite layer. Furthermore, the mechanism of forming hydroxyapatite hollow microsphere was described.« less

  12. Preparation and characterizaton of CaO nanoparticle for biodiesel production

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

    Gupta, Jharna, E-mail: onlinejharna@gmail.com; Agarwal, Madhu, E-mail: madhunaresh@gmail.com

    Nanoparticle of CaO from calcium Nitrate (CaO/CaN) and Snail shell (CaO/SS) are successfully synthesized by method as described in the literature and used as an active and stable catalyst for the biodiesel production. These catalysts are characterized by Fourier-transform infrared spectra (FT-IR), X-ray diffraction (XRD), and thermal gravimetric analysis (TGA). The average crystalline size in nanometer was also calculated by Debye–Scherrer equation. The performance of the CaO/CaN and CaO/SS were tested for their catalytic activity via transesterification process and it was found that biodiesel yield has been increased from 93 to 96%. The optimum conditions for the highest yield weremore » 8wt% catalyst loading, 65°C temperature, 12:1 methanol/oil molar ratio, and 6 h for reaction time. The nano catalyst from snail shell exhibits excellent catalytic activity and stability for the transesterification reaction, which suggested that this catalyst would be potentially used as a solid base nano catalyst for biodiesel production. In order to examine the reusability of catalyst developed from snail shell, five transesterification reaction cycles were also performed.« less

  13. Magnesium-aspartate-based crystallization switch inspired from shell molt of crustacean

    PubMed Central

    Tao, Jinhui; Zhou, Dongming; Zhang, Zhisen; Xu, Xurong; Tang, Ruikang

    2009-01-01

    Many animals such as crustacean periodically undergo cyclic molt of the exoskeleton. During this process, amorphous calcium mineral phases are biologically stabilized by magnesium and are reserved for the subsequent rapid formation of new shell tissue. However, it is a mystery how living organisms can regulate the transition of the precursor phases precisely. We reveal that the shell mineralization from the magnesium stabilized precursors is associated with the presence of Asp-rich proteins. It is suggested that a cooperative effect of magnesium and Asp-rich compound can result into a crystallization switch in biomineralization. Our in vitro experiments confirm that magnesium increases the lifetime of amorphous calcium carbonate and calcium phosphate in solution so that the crystallization can be temporarily switched off. Although Asp monomer alone inhibits the crystallization of pure amorphous calcium minerals, it actually reduces the stability of the magnesium-stabilized precursors to switch on the transformation from the amorphous to crystallized phases. These modification effects on crystallization kinetics can be understood by an Asp-enhanced magnesium desolvation model. The interesting magnesium-Asp-based switch is a biologically inspired lesson from nature, which can be developed into an advanced strategy to control material fabrications. PMID:20007788

  14. Magnesium-aspartate-based crystallization switch inspired from shell molt of crustacean.

    PubMed

    Tao, Jinhui; Zhou, Dongming; Zhang, Zhisen; Xu, Xurong; Tang, Ruikang

    2009-12-29

    Many animals such as crustacean periodically undergo cyclic molt of the exoskeleton. During this process, amorphous calcium mineral phases are biologically stabilized by magnesium and are reserved for the subsequent rapid formation of new shell tissue. However, it is a mystery how living organisms can regulate the transition of the precursor phases precisely. We reveal that the shell mineralization from the magnesium stabilized precursors is associated with the presence of Asp-rich proteins. It is suggested that a cooperative effect of magnesium and Asp-rich compound can result into a crystallization switch in biomineralization. Our in vitro experiments confirm that magnesium increases the lifetime of amorphous calcium carbonate and calcium phosphate in solution so that the crystallization can be temporarily switched off. Although Asp monomer alone inhibits the crystallization of pure amorphous calcium minerals, it actually reduces the stability of the magnesium-stabilized precursors to switch on the transformation from the amorphous to crystallized phases. These modification effects on crystallization kinetics can be understood by an Asp-enhanced magnesium desolvation model. The interesting magnesium-Asp-based switch is a biologically inspired lesson from nature, which can be developed into an advanced strategy to control material fabrications.

  15. Incredible antibacterial activity of noble metal functionalized magnetic core-zeolitic shell nanostructures.

    PubMed

    Padervand, M; Janatrostami, S; Karanji, A Kiani; Gholami, M R

    2014-02-01

    Functionalized magnetic core-zeolitic shell nanostructures were prepared by hydrothermal and coprecipitation methods. The products were characterized by Vibrating Sample Magnetometer (VSM), X-ray powder diffraction (XRD), Fourier Transform Infrared (FTIR) spectra, nitrogen adsorption-desorption isotherms, and Transmission Electron Microscopy (TEM). The growth of mordenite nanoparticles on the surface of silica coated nickel ferrite nanoparticles in the presence of organic templates was also confirmed. Antibacterial activity of the prepared nanostructures was investigated by the inactivation of Escherichia coli as a gram negative bacterium. A new mechanism was proposed for inactivation of E. coli over the prepared samples. In addition, the Minimum Inhibitory Concentration (MIC) and reuse ability were studied. TEM images of the destroyed cell wall after the treatment time were performed to illustrate the inactivation mechanism. According to the experimental results, the core-shell nanostructures which were modified by organic agents and then functionalized with noble metal nanoparticles were the most active. The interaction of the noble metals with the organic components on the surface of nanostructures was studied theoretically and the obtained results were used to interpret the experimental results. © 2013. Published by Elsevier B.V. All rights reserved.

  16. High-temperature investigation on morphology, phase and size of iron/iron-oxide core–shell nanoclusters for radiation nanodetector

    NASA Astrophysics Data System (ADS)

    Khanal, Lokendra Raj; Williams, Thomas; Qiang, You

    2018-06-01

    Iron/iron-oxide (Fe–Fe3O4) core–shell nanoclusters (NCs) synthesized by a cluster deposition technique were subjected to a study of their high temperature structural and morphological behavior. Annealing effects have been investigated up to 800 °C in vacuum, oxygen and argon environments. The ~18 nm average size of the as-prepared NCs increases slowly in temperatures up to 500 °C in all three environments. The size increases abruptly in the argon environment but slowly in vacuum and oxygen when annealed at 800 °C. The x-ray diffraction (XRD) studies have shown that the iron core remains in the core–shell NCs only when they were annealed in the vacuum. A dramatic change in the surface morphology, an island like structure and/or a network like pattern, was observed at the elevated temperature. The as-prepared and annealed samples were analyzed using XRD, scanning electron microscopy and imageJ software for a close inspection of the temperature aroused properties. This work presents the temperature induced size growth mechanism, oxidation kinetics and phase transformation of the NCs accompanied by cluster aggregation, particle coalescence, and diffusion.

  17. Evidence for subduction in the ice shell of Europa

    NASA Astrophysics Data System (ADS)

    Kattenhorn, Simon A.; Prockter, Louise M.

    2014-10-01

    Jupiter’s icy moon Europa has one of the youngest planetary surfaces in the Solar System, implying rapid recycling by some mechanism. Despite ubiquitous extension and creation of new surface area at dilational bands that resemble terrestrial mid-ocean spreading zones, there is little evidence of large-scale contraction to balance the observed extension or to recycle ageing terrains. We address this enigma by presenting several lines of evidence that subduction may be recycling surface material into the interior of Europa’s ice shell. Using Galileo spacecraft images, we produce a tectonic reconstruction of geologic features across a 134,000 km2 region of Europa and find, in addition to dilational band spreading, evidence for transform motions along prominent strike-slip faults, as well as the removal of approximately 20,000 km2 of the surface along a discrete tabular zone. We interpret this zone as a subduction-like convergent boundary that abruptly truncates older geological features and is flanked by potential cryolavas on the overriding ice. We propose that Europa’s ice shell has a brittle, mobile, plate-like system above convecting warmer ice. Hence, Europa may be the only Solar System body other than Earth to exhibit a system of plate tectonics.

  18. Investigation on the mechanical properties of polyurea (PU)/melamine formaldehyde (MF) microcapsules prepared with different chain extenders.

    PubMed

    Hu, Jianfeng; Zhang, Xiaotong; Qu, Jinqing

    2018-05-02

    There is lack of understanding on controlling of mechanical properties of moisture-curing PU/MF microcapsules which limited its further application. PU/MF microcapsules containing a core of isophorone diisocyanate (IPDI) were prepared with different chain extenders, polyetheramine D400, H 2 O, triethylenetetramine and polyetheramine (PEA) D230 by following a two-step synthesis method in this study. Fourier transform infra-red (FTIR) spectroscopy, Malvern particle sizing, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). And micromanipulation technique was used to identify chemical bonds in the shell, size distributions, structure, thickness, and mechanical properties of microcapsules. The results show that PU/MF microcapsules were successfully prepared. Tr increased from 46.4 ± 13.9 N/m to 75.8 ± 23.3 N/m when extender changed from D400 to D230. And the Tr increased from 51.3 ± 14.1 to 94.8 ± 17.5 N/m when the swelling time increased from 1 to 3h. Morphologies of the shell were utilised to understand the mechanism of reactions in forming the shell materials.

  19. Establishing Priorities for Postsecondary Energy-Related Technology Programs

    ERIC Educational Resources Information Center

    Brooking, Walter J.

    1977-01-01

    Data from a Shell Oil Company forecast of national energy requirements through 1990 and from a national invitational conference on energy-related postsecondary programs are presented under the following headings: Coal mining beneficiation and processing, petroleum extraction and refining, nuclear power production, solar energy, and energy…

  20. Interpretation of atomic mass systematics in terms of the valence shells and a simple scheme for predicting masses

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

    Haustein, P.E.; Brenner, D.S.; Casten, R.F.

    1988-07-01

    A new semiempirical method that significantly simplifies atomic mass systematics and which provides a method for making mass predictions by linear interpolation is discussed in the context of the nuclear valence space. In certain regions complicated patterns of mass systematics in traditional plots versus Z, N, or isospin are consolidated and transformed into linear ones extending over long isotopic and isotonic sequences.

  1. Microscale Rockets and Picoliter Containers Engineered from Electrospun Polymeric Microtubes.

    PubMed

    Sitt, Amit; Soukupova, Jana; Miller, David; Verdi, David; Zboril, Radek; Hess, Henry; Lahann, Joerg

    2016-03-01

    Chemically functional core/shell microtubes made of biodegradable polymers are fabricated using coaxial electrospinning. The luminal walls are chemically functionalized, allowing for regioselective chemical binding or adsorption inside the microtube. Attaching catalytic nanoparticles or enzymes to the luminal walls converts the microtubes into bubble-propelled microrockets. Upon exposure to ultrasound, the microtubes undergo shape shifting, transforming them into picoliter-scale containers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. CLASSICAL AREAS OF PHENOMENOLOGY: Material parameter equation for rotating elliptical spherical cloaks

    NASA Astrophysics Data System (ADS)

    Ma, Hua; Qu, Shao-Bo; Xu, Zhuo; Zhang, Jie-Qiu; Wang, Jia-Fu

    2009-01-01

    By using the coordinate transformation method, we have deduced the material parameter equation for rotating elliptical spherical cloaks and carried out simulation as well. The results indicate that the rotating elliptical spherical cloaking shell, which is made of meta-materials whose permittivity and permeability are governed by the equation deduced in this paper, can achieve perfect invisibility by excluding electromagnetic fields from the internal region without disturbing any external field.

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

    Ulvestad, A.; Welland, M. J.; Cha, W.

    Crystallographic imperfections can significantly alter material properties and responses to external stimuli, including solute induced phase transformations and crystal growth and dissolution . Despite recent progress in imaging defects using both electron and x-ray techniques, in situ three-dimensional imaging studies of defect dynamics, necessary to understand and engineer nanoscale processes, remains challenging. Here, we report in situ three-dimensional imaging of defect dynamics during the hydriding phase transformation of individual palladium nanocrystals by Bragg Coherent Diffractive Imaging (BCDI) . During constant pressure experiments, we observed that the phase transformation begins after the nucleation of dislocations in large (300 nm) particles. Themore » 3D dislocation network shows that dislocations are close to the phase boundary. The 3D phase morphology resolved by BCDI suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than the core-shell model commonly assumed. We substantiate this conclusion using 3D phase field modeling and demonstrate how phase morphology affects the critical size for dislocation nucleation. We determine the size dependence of the transformation pressure for large (150-300 nm) palladium nanocrystals using variable pressure experiments. Our results reveal a pathway for solute induced structural phase transformations in nanocrystals and demonstrate BCDI as a novel method for understanding dislocation dynamics in phase transforming systems at the nanoscale.« less

  4. A diagnostic expert system for aircraft generator control unit (GCU)

    NASA Astrophysics Data System (ADS)

    Ho, Ting-Long; Bayles, Robert A.; Havlicsek, Bruce L.

    The modular VSCF (variable-speed constant-frequency) generator families are described as using standard modules to reduce the maintenance cost and to improve the product's testability. A general diagnostic expert system shell that guides troubleshooting of modules or line replaceable units (LRUs) is introduced. An application of the diagnostic system to a particular LRU, the generator control unit (GCU) is reported. The approach to building the diagnostic expert system is first to capture general diagnostic strategy in an expert system shell. This shell can be easily applied to different devices or LRUs by writing rules to capture only additional device-specific diagnostic information from expert repair personnel. The diagnostic system has the necessary knowledge embedded in its programs and exhibits expertise to troubleshoot the GCU.

  5. Calculation of four-particle harmonic-oscillator transformation brackets

    NASA Astrophysics Data System (ADS)

    Germanas, D.; Kalinauskas, R. K.; Mickevičius, S.

    2010-02-01

    A procedure for precise calculation of the three- and four-particle harmonic-oscillator (HO) transformation brackets is presented. The analytical expressions of the four-particle HO transformation brackets are given. The computer code for the calculations of HO transformation brackets proves to be quick, efficient and produces results with small numerical uncertainties. Program summaryProgram title: HOTB Catalogue identifier: AEFQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1247 No. of bytes in distributed program, including test data, etc.: 6659 Distribution format: tar.gz Programming language: FORTRAN 90 Computer: Any computer with FORTRAN 90 compiler Operating system: Windows, Linux, FreeBSD, True64 Unix RAM: 8 MB Classification: 17.17 Nature of problem: Calculation of the three-particle and four-particle harmonic-oscillator transformation brackets. Solution method: The method is based on compact expressions of the three-particle harmonics oscillator brackets, presented in [1] and expressions of the four-particle harmonics oscillator brackets, presented in this paper. Restrictions: The three- and four-particle harmonic-oscillator transformation brackets up to the e=28. Unusual features: Possibility of calculating the four-particle harmonic-oscillator transformation brackets. Running time: Less than one second for the single harmonic-oscillator transformation bracket. References:G.P. Kamuntavičius, R.K. Kalinauskas, B.R. Barret, S. Mickevičius, D. Germanas, Nuclear Physics A 695 (2001) 191.

  6. A code for analysis of the fine structure in near-rigid weakly-bonded open-shell complexes that consist of a diatomic radical in a Σ3 state and a closed-shell molecule

    NASA Astrophysics Data System (ADS)

    Fawzy, Wafaa M.

    2010-10-01

    A FORTRAN code is developed for simulation and fitting the fine structure of a planar weakly-bonded open-shell complex that consists of a diatomic radical in a Σ3 electronic state and a diatomic or a polyatomic closed-shell molecule. The program sets up the proper total Hamiltonian matrix for a given J value and takes account of electron-spin-electron-spin, electron-spin rotation interactions, and the quartic and sextic centrifugal distortion terms within the complex. Also, R-dependence of electron-spin-electron-spin and electron-spin rotation couplings are considered. The code does not take account of effects of large-amplitude internal rotation of the diatomic radical within the complex. It is assumed that the complex has a well defined equilibrium geometry so that effects of large amplitude motion are negligible. Therefore, the computer code is suitable for a near-rigid rotor. Numerical diagonalization of the matrix provides the eigenvalues and the eigenfunctions that are necessary for calculating energy levels, frequencies, relative intensities of infrared or microwave transitions, and expectation values of the quantum numbers within the complex. Goodness of all the quantum numbers, with exception of J and parity, depends on relative sizes of the product of the rotational constants and quantum numbers (i.e. BJ, CJ, and AK), electron-spin-electron-spin, and electron-spin rotation couplings, as well as the geometry of the complex. Therefore, expectation values of the quantum numbers are calculated in the eigenfunctions basis of the complex. The computational time for the least squares fits has been significantly reduced by using the Hellman-Feynman theory for calculating the derivatives. The computer code is useful for analysis of high resolution infrared and microwave spectra of a planar near-rigid weakly-bonded open-shell complex that contains a diatomic fragment in a Σ3 electronic state and a closed-shell molecule. The computer program was successfully applied to analysis and fitting the observed high resolution infrared spectra of the O 2sbnd HF/O 2sbnd DF and O 2sbnd N 2O complexes. Test input file for simulation and fitting the high resolution infrared spectrum of the O 2sbnd DF complex is provided. Program summaryProgram title: TSIG_COMP Catalogue identifier: AEGM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGM_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 10 030 No. of bytes in distributed program, including test data, etc.: 51 663 Distribution format: tar.gz Programming language: Fortran 90, free format Computer: SGI Origin 3400, workstations and PCs Operating system: Linux, UNIX and Windows (see Restrictions below) RAM: Case dependent Classification: 16.2 Nature of problem: TSIG_COMP calculates frequencies, relative intensities, and expectation values of the various quantum numbers and parities of bound states involved in allowed ro-vibrational transitions in semi-rigid planar weakly-bonded open-shell complexes. The complexes of interest contain a free radical in a Σ3 state and a closed-shell partner, where the electron-spin-electron-spin interaction, electron-spin rotation interaction, and centrifugal forces significantly modify the spectral patterns. To date, ab initio methods are incapable of taking these effects into account to provide accurate predictions for the ro-vibrational energy levels of the complexes of interest. In the TSIG_COMP program, the problem is solved by using the proper effective Hamiltonian and molecular basis set. Solution method: The program uses a Hamiltonian operator that takes into account vibration, end-over-end rotation, electron-spin-electron-spin and electron-spin rotation interactions as well as the various centrifugal distortion terms. The Hamiltonian operator and the molecular basis set are used to set up the Hamiltonian matrix in the inertial axis system of the complex of interest. Diagonalization of the Hamiltonian matrix provides the eigenvalues and the eigenfunctions for the bound ro-vibrational states. These eigenvalues and eigenfunctions are used to calculate frequencies and relative intensities of the allowed infrared or microwave transitions as well as expectation values of all the quantum numbers and parities of states involved in the transitions. The program employs the method of least squares fits to fit the observed frequencies to the calculated frequencies to provide the molecular parameters that determine the geometry of the complex of interest. Restrictions: The number of transitions and parameters included in the fits is limited to 80 parameters and 200 transitions. However, these numbers can be increased by adjusting dimensions of the arrays (not recommended). Running the program under MS windows is recommended for simulations of any number of transitions and for fitting a relatively small number of parameters and transitions (maximum 15 parameters and 82 transitions), for fitting larger number of parameters run time error may occur. Because spectra of weakly bonded complexes are recorded at low temperatures, in most of cases fittings can be performed under MS windows. Running time: Problem-dependent. The provided test input for Linux fits 82 transitions and 21 parameters, the actual run time is 62 minutes. The provided test input file for MS windows fits 82 transitions and 15 parameters; the actual runtime is 5 minutes.

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

    Jia, Y.F.; Thomas, K.M.

    Various types of oxygen functional groups were introduced onto the surface of coconut shell derived activated carbon by oxidation using nitric acid. Fourier-transform infrared spectroscopy (FTIR), temperature-programmed desorption (TPD), and selective neutralization were used to characterize the surface oxygen functional groups. The oxidized carbons were also heat treated to provide a suite of carbons where the oxygen functional groups of various thermal stabilities were varied progressively. The adsorption of cadmium ions was enhanced dramatically by oxidation of the carbon. The ratio of released protons to adsorbed cadmium ions on oxidized carbon was approximately 2, indicating cation exchange was involved inmore » the process of adsorption. Na{sup +} exchange studies with the oxidized carbon gave a similar ratio. After heat treatment of the oxidized carbons to remove oxygen functional groups, the ratio of H{sup +} released to Cd{sup 2+} adsorbed and the adsorption capacity decreased significantly. Both reversible and irreversible processes were involved in cadmium ion adsorption with reversible adsorption having higher enthalpy. The irreversible adsorption resulted from cation exchange with carboxylic acid groups, whereas the reversible adsorption probably involved physisorption of the partially hydrated cadmium ion.« less

  8. Vesicle sizing by static light scattering: a Fourier cosine transform approach

    NASA Astrophysics Data System (ADS)

    Wang, Jianhong; Hallett, F. Ross

    1995-08-01

    A Fourier cosine transform method, based on the Rayleigh-Gans-Debye thin-shell approximation, was developed to retrieve vesicle size distribution directly from the angular dependence of scattered light intensity. Its feasibility for real vesicles was partially tested on scattering data generated by the exact Mie solutions for isotropic vesicles. The noise tolerance of the method in recovering unimodal and biomodal distributions was studied with the simulated data. Applicability of this approach to vesicles with weak anisotropy was examined using Mie theory for anisotropic hollow spheres. A primitive theory about the first four moments of the radius distribution about the origin, excluding the mean radius, was obtained as an alternative to the direct retrieval of size distributions.

  9. Novel Fe3O4@SiO2@Ag@Ni trepang-like nanocomposites: High-efficiency and magnetic recyclable catalysts for organic dye degradation

    NASA Astrophysics Data System (ADS)

    Li, Chao; Sun, Jun-Jie; Chen, Duo; Han, Guang-Bing; Yu, Shu-Yun; Kang, Shi-Shou; Mei, Liang-Mo

    2016-08-01

    A facile step-by-step approach is developed for synthesizing the high-efficiency and magnetic recyclable Fe3O4@SiO2@Ag@Ni trepang-like nanocomposites. This method involves coating Fe2O3 nanorods with a uniform silica layer, reduction in 10% H2/Ar atmosphere to transform the Fe2O3 into magnetic Fe3O4, and finally depositing Ag@Ni core-shell nanoparticles on the L-lysine modified surface of Fe3O4@SiO2 nanorods. The fabricated nanocomposites are further characterized by x-ray diffraction, transmission electron microscopy, scanning electron microscope, Fourier transform infrared spectroscopy, and inductively coupled plasma mass spectroscopy. The Fe3O4@SiO2@Ag@Ni trepang-like nanocomposites exhibit remarkably higher catalytic efficiency than monometallic Fe3O4@SiO2@Ag nanocomposites toward the degradation of Rhodamine B (RhB) at room temperature, and maintain superior catalytic activity even after six cycles. In addition, these samples could be easily separated from the catalytic system by an external magnet and reused, which shows great potential applications in treating waste water. Project supported by the National Basic Research Program of China (Grant No. 2015CB921502), the National Natural Science Foundation of China (Grant Nos. 11474184 and 11174183), the 111 Project (Grant No. B13029), and the Fundamental Research Funds of Shandong University, China.

  10. 77 FR 10997 - Energy Conservation Program: Energy Conservation Standards for Distribution Transformers; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-24

    ... Conservation Program: Energy Conservation Standards for Distribution Transformers; Correction AGENCY: Office of... standards for distribution transformers. It was recently discovered that values in certain tables of the...,'' including distribution transformers. The Energy Policy Act of 1992 (EPACT 1992), Public Law 102-486, amended...

  11. NASA's Software Bank (Heath Tecna Aerospace)

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Heath Tecna Aerospace used a COSMIC program, "Analysis of Filament Reinforced Metal Shell Pressure Vessels," to predict stresses in motorcase walls in a composite hybrid rocket and calculate the ideal geometry for the domes at either end of the filament-wound pressure vessel. The COSMIC program predictions were confirmed in testing.

  12. Shell Games. VORTEX: Virginia's Oyster Reef Teaching EXperience.

    ERIC Educational Resources Information Center

    Harding, Juliana M.; Mann, Roger; Clark, Vicki P.

    This document introduces Virginia's Oyster Reef Teaching EXperience (VORTEX), which is an interdisciplinary program focusing on the importance of oyster reef communities in the Chesapeake Bay ecosystem. The VORTEX program uses field and laboratory experiences supported by multimedia instruction. This document presents an overview on the biology of…

  13. Computer Series, 65. Bits and Pieces, 26.

    ERIC Educational Resources Information Center

    Moore, John W., Ed.

    1985-01-01

    Describes: (l) a microcomputer-based system for filing test questions and assembling examinations; (2) microcomputer use in practical and simulated experiments of gamma rays scattering by outer shell electrons; (3) an interactive, screen-oriented, general linear regression program; and (4) graphics drill and game programs for benzene synthesis.…

  14. PATRAN-STAGS translator (PATSTAGS)

    NASA Technical Reports Server (NTRS)

    Otte, Neil

    1990-01-01

    A a computer program used to translate PATRAN finite element model data into Structural Analysis of General Shells (STAGS) input data is presented. The program supports translation of nodal, nodal constraints, element, force, and pressure data. The subroutine UPRESS required for the readings of live pressure data into STAGS is also presented.

  15. Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation

    DOE PAGES

    Ulvestad, A.; Welland, M. J.; Cha, W.; ...

    2017-01-16

    Crystallographic imperfections can significantly alter material properties and responses to external stimuli, including solute induced phase transformations and crystal growth and dissolution . Despite recent progress in imaging defects using both electron and x-ray techniques, in situ three-dimensional imaging studies of defect dynamics, necessary to understand and engineer nanoscale processes, remains challenging. Here, we report in situ three-dimensional imaging of defect dynamics during the hydriding phase transformation of individual palladium nanocrystals by Bragg Coherent Diffractive Imaging (BCDI) . During constant pressure experiments, we observed that the phase transformation begins after the nucleation of dislocations in large (300 nm) particles. Themore » 3D dislocation network shows that dislocations are close to the phase boundary. The 3D phase morphology resolved by BCDI suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than the core-shell model commonly assumed. We substantiate this conclusion using 3D phase field modeling and demonstrate how phase morphology affects the critical size for dislocation nucleation. We determine the size dependence of the transformation pressure for large (150-300 nm) palladium nanocrystals using variable pressure experiments. Our results reveal a pathway for solute induced structural phase transformations in nanocrystals and demonstrate BCDI as a novel method for understanding dislocation dynamics in phase transforming systems at the nanoscale.« less

  16. Reconstruction of spherically symmetric objects from slit-imaged emission: limitations due to finite slit width

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

    Mueller, M.M.

    1979-11-01

    A simple method for reconstructing spherically symmetric objects from slit-imaged emission was recently described by Vest and Steel. Although this method is valid for infinitesimal slit widths and practically noise-free irradiance data, it is shown here that its validity does not extend to slits of practical width in the laser-fusion program. However, a method is given for reducing the Vest--Steel plots with practical apertures to obtain information on core diameter, shell diameter, and shell thickness.

  17. Entrapment of carbon dioxide with chitosan-based core-shell particles containing changeable cores.

    PubMed

    Dong, Yanrui; Fu, Yinghao; Lin, Xia; Xiao, Congming

    2016-08-01

    Water-soluble chitosan-based core-shell particles that contained changeable cores were successfully applied to anchor carbon dioxide. The entrapment capacity of the particles for carbon dioxide (EC) depended on the cores. It was found that EC of the particles contained aqueous cores was higher than that of the beads with water-soluble chitosan gel cores, which was confirmed with thermogravimetric analysis. In addition, calcium ions and sodium hydroxide were introduced within the particles to examine their effect on the entrapment. EC of the particles was enhanced with sodium hydroxide when the cores were WSC gel. The incorporation of calcium ions was helpful for stabilizing carbon dioxide through the formation of calcium carbonate, which was verified with Fourier transform infrared spectra and scanning electron microscopy/energy-dispersive spectrometry. This phenomenon meant the role of calcium ions for fixating carbon dioxide was significant. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Comparison and Characterisation of Regenerated Chitosan from 1-Butyl-3-methylimidazolium Chloride and Chitosan from Crab Shells

    PubMed Central

    Arnold, Lyndon

    2015-01-01

    Chitosan is a biopolymer derived from chitin which is naturally occurring in the exoskeleton of crustaceans. This paper reports dissolution and regeneration of chitosan by directly dissolving in an ionic liquid solvent, 1-butyl-3-methylimidazolium chloride (BMIMCl). This will provide an ideal platform to solubilise these kinds of polymers to achieve the dissolution. The current study dissolved chitosan from crab shell utilising BMIMCl as a solvent and characterised the resultant regenerated polymer. The regenerated chitosan showed increased hydrogen bonding when characterised by Fourier transform infrared (FTIR) spectral analysis. In addition, the study also compared the characteristics of regenerated and generic chitosan. The regenerated chitosan was also evaluated for antimicrobial properties and showed to possess antibacterial features similar to the commercial grade. This method can be utilised in future for blending of polymers with chitosan in a dissolved phase. PMID:26090452

  19. Amine-functionalized magnetic mesoporous silica nanoparticles for DNA separation

    NASA Astrophysics Data System (ADS)

    Sheng, Wei; Wei, Wei; Li, Junjian; Qi, Xiaoliang; Zuo, Gancheng; Chen, Qi; Pan, Xihao; Dong, Wei

    2016-11-01

    We report a modified approach for the functionalized magnetic mesoporous silica nanoparticles (MMSN) using polymer microspheres incorporated with magnetic nanoparticles in the presence of cetyltrimethylammonium bromide (CTAB) and the core-shell magnetic silica nanoparticles (MSN). These particles were functionalized with amino groups via the addition of aminosilane directly to the particle sol. We then evaluate their DNA separation abilities and find the capacity of DNA binding significantly increased (210.22 μg/mg) compared with normal magnetic silica spheres (138.44 μg/mg) by using an ultraviolet and visible spectrophotometer (UV). The morphologies, magnetic properties, particle size, pore size, core-shell structure and Zeta potential are characterized by Fourier transform infrared spectroscopy (FT-IR), vibrating sample magnetometer (VSM), Transmission electron microscopy (TEM), Powder X-ray diffraction (XRD), and dynamic light scattering (DLS). This work demonstrates that our MMSN own an excellent potential application in bioseparation and drug delivery.

  20. Study of the hydrostatic pressure dependence of the Raman spectrum of W/WS2 fullerene-like nanosphere with core shell structure

    NASA Astrophysics Data System (ADS)

    Yu, S. D.; Chang, L. X.; Yang, H. B.; Liu, B. B.; Hou, Y. Y.; Wang, L.; Yao, M. G.; Cui, T.; Zou, G. T.

    2007-10-01

    The structural behavior of a W/WS2 fullerene-like nanosphere with a core-shell structure has been studied in the hydrostatic pressure range from atmospheric pressure to 18 GPa by Raman spectroscopy using a methanol-ethanol-water mixture (16:3:1) as the pressure transmitting medium (PTM). We found that it is interesting that the intensity ratio of the LA+TA mode and the A1g mode changes with increasing pressure. We attribute this change to the shape transformation of an inorganic fullerene-like IF-W/WS2 nanosphere under high hydrostatic pressure. By comparing the Raman spectra of an IF-W/WS2 nanosphere released from high pressure with that of the original one, we found that the change in morphology is reversible. This indicates that the spherical shape of the IF-W/WS2 has excellent behavior in resisting compression.

  1. Effective operators in a single-j orbital

    NASA Astrophysics Data System (ADS)

    Derbali, E.; Van Isacker, P.; Tellili, B.; Souga, C.

    2018-03-01

    We present an analysis of effective operators in the shell model with up to three-body interactions in the Hamiltonian and two-body terms in electromagnetic transition operators when the nucleons are either neutrons or protons occupying a single-j orbital. We first show that evidence for an effective three-body interaction exists in the N = 50 isotones and in the lead isotopes but that the separate components of such interaction are difficult to obtain empirically. We then determine higher-order terms on more microscopic grounds. The starting point is a realistic two-body interaction in a large shell-model space together with a standard one-body transition operator, which, after restriction to the dominant orbital and with use of stationary perturbation theory, are transformed into effective versions with higher-order terms. An application is presented for the lead isotopes with neutrons in the 1{g}9/2 orbital.

  2. A spectroscopic study for understanding the speciation of Cr on palm shell based adsorbents and their application for the remediation of chrome plating effluents.

    PubMed

    Kushwaha, Shilpi; Sreedhar, B; Sudhakar, Padmaja P

    2012-07-01

    Palm shell based adsorbents prepared under five different thermochemical conditions have been shown to be quite effective for removal of chromium (III and VI) from aqueous solutions. X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FT-IR) have been used to determine information about the speciation and binding of chromium on the adsorbents under study. X-ray photoelectron spectroscopy (XPS) studies indicate that oxidation of lignin moieties takes place concurrently to Cr(VI) reduction and leads to the formation of hydroxyl and carboxyl functions. The maximum adsorption capacity for hexavalent chromium was found to be about 313 mg/g in an acidic medium using PAPSP. This is comparable to other natural substrates and ordinary adsorbents. The efficacy of the adsorbents under study to remove chromium from plating waste water has been demonstrated. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Housing First and Photovoice: Transforming Lives, Communities, and Systems

    PubMed Central

    Barile, John P.; Ogawa, Terry Yasuko; Peralta, Nelson; Bugg, Reumell; Lau, John; Lamberton, Thomas; Hall, Corazon; Mori, Victor

    2018-01-01

    This article presents findings from a community-based participatory evaluation of a Housing First program on the Island of O’ahu. In this study, clients in a Housing First program used Photovoice to evaluate the program and to advocate for progressive housing policies. Written together by members of the Housing First Photovoice group, this collaborative article describes the outcomes from both the Housing First program and the Photovoice project and demonstrates the ways in which participatory program evaluations can interact with client-driven programs like Housing First to produce a cumulative, transformative impact. Findings suggest that community psychologists hoping to re-engage with community mental health systems through enacting transformative change should consider taking a community-based participatory approach to program evaluation because increased client voice in community mental health programs and their evaluations can have far-reaching, transformative impacts for research, practice, and policy. PMID:29323410

  4. 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)

  5. Impact resistance of spar-shell composite fan blades

    NASA Technical Reports Server (NTRS)

    Graff, J.; Stoltze, L.; Varholak, E. M.

    1973-01-01

    Composite spar-shell fan blades for a 1.83 meter (6 feet) diameter fan stage were fabricated and tested in a whirling arm facility to evaluate foreign object damage (FOD) resistance. The blades were made by adhesively bonding boron-epoxy shells on titanium spars and then adhesively bonding an Inconel 625 sheath on the leading edge. The rotating blades were individually tested at a tip speed of 800 feet per second. Impacting media used were gravel, rivets, bolt, nut, ice balls, simulated birds, and a real bird. Incidence angles were typical of those which might be experienced by STOL aircraft. The tests showed that blades of the design tested in this program have satisfactory impact resistance to small objects such as gravel, rivets, nuts, bolts, and two inch diameter ice balls. The blades suffered nominal damage when impacted with one-pound birds (9 to 10 ounce slice size). However, the shell was removed from the spar for a larger slice size.

  6. Quantum self-gravitating collapsing matter in a quantum geometry

    NASA Astrophysics Data System (ADS)

    Campiglia, Miguel; Gambini, Rodolfo; Olmedo, Javier; Pullin, Jorge

    2016-09-01

    The problem of how space-time responds to gravitating quantum matter in full quantum gravity has been one of the main questions that any program of quantization of gravity should address. Here we analyze this issue by considering the quantization of a collapsing null shell coupled to spherically symmetric loop quantum gravity. We show that the constraint algebra of canonical gravity is Abelian both classically and when quantized using loop quantum gravity techniques. The Hamiltonian constraint is well defined and suitable Dirac observables characterizing the problem were identified at the quantum level. We can write the metric as a parameterized Dirac observable at the quantum level and study the physics of the collapsing shell and black hole formation. We show how the singularity inside the black hole is eliminated by loop quantum gravity and how the shell can traverse it. The construction is compatible with a scenario in which the shell tunnels into a baby universe inside the black hole or one in which it could emerge through a white hole.

  7. Validation of an interior noise prediction model for a composite cylinder

    NASA Technical Reports Server (NTRS)

    Beyer, Todd B.; Grosveld, Ferdinand W.

    1987-01-01

    An acoustic modal analysis has been performed in the cavity of a composite cylinder model of an aircraft fuselage. The filament wound, composite shell is 12 feet long and 5.5 feet in diameter. A one-half-in. thick plywood floor is attached to the shell 69 deg from the vertical centerline through the bottom of the shell. The acoustic modal frequencies were obtained from a sound pressure level and phase survey conducted throughout the interior volume bounded by the floor, endcaps and stiffened shell, while being excited by white noise from a loudspeaker source. The measured acoustic resonance frequencies and mode shapes compare well with analytical predictions from the Propeller Aircraft Interior Noise (PAIN) model. Details of the theory and derivation of the acoustic characteristics have been included. Reverberation time measurements, using the integrated impulse technique, have been performed to determine acoustic loss factors. These measured loss factors have been input to the PAIN program in order to more accurately predict the space-averaged interior noise of the composite cylinder.

  8. The 25-KVA amorphous metal-core transformer developmental test report

    NASA Astrophysics Data System (ADS)

    Urata, G. V.; Franchi, J. O.; Franchi, P. E.

    1989-08-01

    NCEL has completed a test and evaluation program for 25-kVA amorphous metal-core transformers. These transformers save energy by reducing no-load losses by 60 to 70 percent. No-load losses are estimated to cost the Navy millions annually and if all of the Navy transformers were replaced by amorphous metal-core transformers, the Navy would save millions a year. The program objective was to evaluate the electrical performance and operational reliability of the amorphous metal-core transformers compared to conventional silicon-steel transformers.

  9. Applying analog integrated circuits for HERO protection

    NASA Technical Reports Server (NTRS)

    Willis, Kenneth E.; Blachowski, Thomas J.

    1994-01-01

    One of the most efficient methods for protecting electro-explosive devices (EED's) from HERO and ESD is to shield the EED in a conducting shell (Faraday cage). Electrical energy is transferred to the bridge by means of a magnetic coupling which passes through a portion of the conducting shell that is made from a magnetically permeable but electrically conducting material. This technique was perfected by ML Aviation, a U.K. company, in the early 80's, and was called a Radio Frequency Attenuation Connector (RFAC). It is now in wide use in the U.K. Previously, the disadvantage of RFAC over more conventional methods was its relatively high cost, largely driven by a thick film hybrid circuit used to switch the primary of the transformer. Recently, through a licensing agreement, this technology has been transferred to the U.S. and significant cost reductions and performance improvements have been achieved by the introduction of analog integrated circuits. An integrated circuit performs the following functions: (1) Chops the DC input to a signal suitable for driving the primary of the transformer; (2) Verifies the input voltage is above a threshold; (3) Verifies the input voltage is valid for a pre set time before enabling the device; (4) Provides thermal protection of the circuit; and (5) Provides an external input for independent logic level enabling of the power transfer mechanism. This paper describes the new RFAC product and its applications.

  10. Transformation pipelines for PROJ.4

    NASA Astrophysics Data System (ADS)

    Knudsen, Thomas; Evers, Kristian

    2017-04-01

    For more than 2 decades, PROJ.4 has been the globally leading map projection library for open source (and probably also closed source) geospatial software. While focusing on mathematically well defined 2D projections from geographical to planar coordinates, PROJ.4 has nevertheless, since its introduction in the 1980s, provided limited support for more general geodetic datum transformations, and has gradually introduced a higher degree of support for 3D coordinate data and reference systems. The support has, however, been implemented over a long period of time, as need became evident and opportunity was found, by a number of different people, with different needs and at different times. Hence, the PROJ.4 3D support has not been the result of neither deep geodetic, nor careful code architectural considerations. This has resulted in a library that supports only a subset of commonly occurring geodetic transformations. To be more specific: It supports any datum shift that can be completed by a combination of two Helmert shifts (to and from a pivot datum) and, potentially, also a non-linear planar correction derived from interpolation in a correction grid. While this is sufficient for most small scale mapping activities, it is not at all sufficient for operational geodetic use, nor for many of the rapidly emerging high accuracy geospatial applications in agriculture, construction, transportation and utilities. To improve this situation, we have introduced a new framework for implementation of geodetic transformations, which will appear in the next release of the PROJ.4 library. Before describing the details, let us first remark that most cases of geodetic transformations can be expressed as a series of elementary operations, the output of one operation being the input of the next. E.g. when going from UTM zone 32, datum ED50, to UTM zone 32, datum ETRS89, one must, in the simplest case, go through 5 steps: Back-project the UTM coordinates to geographic coordinates Convert the geographic coordinates to 3D cartesian geocentric coordinates Apply a Helmert transformation from ED50 to ETRS89 Convert back from cartesian to geographic coordinates Finally project the geographic coordinates to UTM zone 32 planar coordinates. The homology between these steps and a Unix shell style pipeline is evident. With this as its main architectural inspiration, the primary feature of our implementation is a pipeline driver, that takes as its user supplied arguments, a series of elementary operations, which it strings together in order to implement the full transformation needed. Also, we have added a number of elementary geodetic operations, including Helmert transformations, general high order polynomial shifts (2D Horner's scheme) and the abridged Molodensky transformation. In anticipation of upcoming support for full time-varying transformations, we also introduce a 4D spatiotemporal data type, and a programming interface (API) for handling this. With these improvements in place, we assert that PROJ.4 is now well on its way from being a mostly-map-projection library, to becoming an almost-generic-geodetic-transformation library.

  11. A change in stripes for cholesteric shells via modulated anchoring

    NASA Astrophysics Data System (ADS)

    Tran, Lisa; Lavrentovich, Maxim; Durey, Guillaume; Darmon, Alexandre; Haase, Martin; Li, Ningwei; Lee, Daeyeon; Stebe, Kathleen; Kamien, Randall; Lopez-Leon, Teresa

    Many of the patterns found in biological systems are also found to self-assemble into cholesteric liquid crystal (CLC) systems. In this work, we probe the effect of varying the perpendicular anchoring strength of a CLC that is confined to a spherical shell. The shell geometry gives the confinement and curvature conditions for the formation of a rich array of meta-stable states, revealing an unexplored region between degenerate parallel anchoring and strong perpendicular anchoring. We modulate the anchoring strength in experiments with two methods: by adjusting the surfactant concentration or, interestingly, by varying the temperature. We find two states not previously reported for CLC shells: a Bouligand arches state, where larger, lateral stripes on the shell can be filled with smaller, longitudinal substripes, and a focal conic domain (FCD) state, where thin stripes wrap into at least two, topologically required, double spirals. We use a Landau-de Gennes model of the CLC to simulate the director configurations of these states. This work identifies the Bouligand arches state in CLC shells and builds upon the existing knowledge of cholesteric FCDs, structures that not only have potential for use as intricate, self-assembly blueprints but are pervasive in biological systems. UPENN MRSEC NSF DMR11-20901; ANR Grant 13-JS08-0006-01; IPGG Program ANR-10-IDEX 0001-02 PSL and ANR-10-EQPX-31.

  12. 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

  13. New alloys for electroformed replicated x-ray optics

    NASA Astrophysics Data System (ADS)

    Engelhaupt, Darell E.; Ramsey, Brian D.; O'Dell, Stephen L.; Jones, William D.; Russell, J. Kevin

    2000-11-01

    The process of electroforming nickel x-ray mirror shells from superpolished mandrels has been widely used. The recently launched XMM mission by the European Space Agency (ESA) is an excellent example, containing 174 such mirror shells of diameters ranging from 0.3 - 0.7 meters and with a thickness range of 0.47 - 1.07 mm. To continue to utilize this technique for the next generation of x-ray observatories, where larger collecting areas will be required within the constraints of tight weight budgets, demands that new alloys be developed that can withstand the large stresses imposed on very thin shells by the replication, handling and launch processes. Towards this end, we began a development program in late 1997 to produce a high-strength alloy suitable for electroforming very thin high-resolution x-ray optics for the proposed Constellation-X project. Requirements for this task are quite severe; not only must the electroformed deposit be very strong, it must also have very low residual stresses to prevent serious figure distortions in large thin-walled shells. Further, the processing must be done reasonably near room temperature, as large temperature changes will modify the figure of the mandrel. Also the environment must not be corrosive or otherwise damaging to the mandrel during the processing. The results of the development program are presented, showing the evolution of our plating processes and materials through to the present 'glassy' nickel alloy that satisfies the above requirements.

  14. Issues in the design of an executive controller shell for Space Station automation

    NASA Technical Reports Server (NTRS)

    Erickson, William K.; Cheeseman, Peter C.

    1986-01-01

    A major goal of NASA's Systems Autonomy Demonstration Project is to focus research in artificial intelligence, human factors, and dynamic control systems in support of Space Station automation. Another goal is to demonstrate the use of these technologies in real space systems, for both round-based mission support and on-board operations. The design, construction, and evaluation of an intelligent autonomous system shell is recognized as an important part of the Systems Autonomy research program. His paper describes autonomous systems and executive controllers, outlines how these intelligent systems can be utilized within the Space Station, and discusses a number of key design issues that have been raised during some preliminary work to develop an autonomous executive controller shell at NASA Ames Research Center.

  15. OHD/HL - National Weather Hydrology Laboratory

    Science.gov Websites

    resources and services. Design and Programming Standards and Guidelines General Programming C C++ FORTRAN Java v 2.0 updated 3/28/2008 Java v 1.9 Korn and Bash Shell Software Design Phase Guidelines OHD Design Specification Template OHD Design Specification Example Software Peer Review Guidelines and Checklists Software

  16. Reliability analysis of laminated CMC components through shell subelement techniques

    NASA Technical Reports Server (NTRS)

    Starlinger, Alois; Duffy, Stephen F.; Gyekenyesi, John P.

    1992-01-01

    An updated version of the integrated design program Composite Ceramics Analysis and Reliability Evaluation of Structures (C/CARES) was developed for the reliability evaluation of ceramic matrix composites (CMC) laminated shell components. The algorithm is now split into two modules: a finite-element data interface program and a reliability evaluation algorithm. More flexibility is achieved, allowing for easy implementation with various finite-element programs. The interface program creates a neutral data base which is then read by the reliability module. This neutral data base concept allows easy data transfer between different computer systems. The new interface program from the finite-element code Matrix Automated Reduction and Coupling (MARC) also includes the option of using hybrid laminates (a combination of plies of different materials or different layups) and allows for variations in temperature fields throughout the component. In the current version of C/CARES, a subelement technique was implemented, enabling stress gradients within an element to be taken into account. The noninteractive reliability function is now evaluated at each Gaussian integration point instead of using averaging techniques. As a result of the increased number of stress evaluation points, considerable improvements in the accuracy of reliability analyses were realized.

  17. STARS: A general-purpose finite element computer program for analysis of engineering structures

    NASA Technical Reports Server (NTRS)

    Gupta, K. K.

    1984-01-01

    STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.

  18. A methodology to emulate and evaluate a productive virtual workstation

    NASA Technical Reports Server (NTRS)

    Krubsack, David; Haberman, David

    1992-01-01

    The Advanced Display and Computer Augmented Control (ADCACS) Program at ACT is sponsored by NASA Ames to investigate the broad field of technologies which must be combined to design a 'virtual' workstation for the Space Station Freedom. This program is progressing in several areas and resulted in the definition of requirements for a workstation. A unique combination of technologies at the ACT Laboratory have been networked to effectively create an experimental environment. This experimental environment allows the integration of nonconventional input devices with a high power graphics engine within the framework of an expert system shell which coordinates the heterogeneous inputs with the 'virtual' presentation. The flexibility of the workstation is evolved as experiments are designed and conducted to evaluate the condition descriptions and rule sets of the expert system shell and its effectiveness in driving the graphics engine. Workstation productivity has been defined by the achievable performance in the emulator of the calibrated 'sensitivity' of input devices, the graphics presentation, the possible optical enhancements to achieve a wide field of view color image and the flexibility of conditional descriptions in the expert system shell in adapting to prototype problems.

  19. Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems.

    PubMed

    Veeraraghavan, Srikant; Mazziotti, David A

    2014-03-28

    We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. While wave function approaches to Hartree-Fock theory yield an upper bound to the Hartree-Fock energy, we derive a semidefinite relaxation of Hartree-Fock theory that yields a rigorous lower bound on the Hartree-Fock energy. We also develop an upper-bound algorithm in which Hartree-Fock theory is cast as a SDP with a nonconvex constraint on the rank of the matrix variable. Equality of the upper- and lower-bound energies guarantees that the computed solution is the globally optimal solution of Hartree-Fock theory. The work extends a previously presented method for closed-shell systems [S. Veeraraghavan and D. A. Mazziotti, Phys. Rev. A 89, 010502-R (2014)]. For strongly correlated systems the SDP approach provides an alternative to the locally optimized Hartree-Fock energies and densities with a certificate of global optimality. Applications are made to the potential energy curves of C2, CN, Cr2, and NO2.

  20. Direct Transformation of Amorphous Silicon Carbide into Graphene under Low Temperature and Ambient Pressure

    PubMed Central

    Peng, Tao; Lv, Haifeng; He, Daping; Pan, Mu; Mu, Shichun

    2013-01-01

    A large-scale availability of the graphene is critical to the successful application of graphene-based electronic devices. The growth of epitaxial graphene (EG) on insulating silicon carbide (SiC) surfaces has opened a new promising route for large-scale high-quality graphene production. However, two key obstacles to epitaxial growth are extremely high requirements for almost perfectly ordered crystal SiC and harsh process conditions. Here, we report that the amorphous SiC (a-Si1−xCx) nano-shell (nano-film) can be directly transformed into graphene by using chlorination method under very mild reaction conditions of relative low temperature (800°C) and the ambient pressure in chlorine (Cl2) atmosphere. Therefore, our finding, the direct transformation of a-Si1−xCx into graphene under much milder condition, will open a door to apply this new method to the large-scale production of graphene at low costs. PMID:23359349

  1. Fourier transform spectra of quantum dots

    NASA Astrophysics Data System (ADS)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2009-09-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  2. Fourier transform spectra of quantum dots

    NASA Astrophysics Data System (ADS)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2010-05-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  3. Base Realignment and Closure Environmental Evaluation (BRAC EE) Fort Devens, Massachusetts

    DTIC Science & Technology

    1995-09-01

    Not Sampled ......... 6 2.3.2 Transformer Sites Sampled ........................ 7 2.4 Soil Sampling Protocol and Analytical Program ...Evaluation (AREE) 66. The study included evaluating the current PCB Transformer Management Program administered by the Fort Devens Environmental Management...Office (EMO), the Fort Devens Spill Contingency Plan, and the ongoing transformer inspection program . Personnel in both the Fort Devens EMO and the Fort

  4. Realizing Aspects by Transforming for Events

    NASA Technical Reports Server (NTRS)

    Filman, Robert E.; Havelund, Klaus; Clancy, Daniel (Technical Monitor)

    2002-01-01

    We explore the extent to which concerns can be separated in programs by program transformation with respect to the events required by these concerns. We describe our early work on developing a system to perform event-driven transformation and discuss possible applications of this approach.

  5. New Alloys for Electroformed Replicated X-Ray Optics

    NASA Technical Reports Server (NTRS)

    Engelhaupt, D.; Ramsey, B. D.; ODell, S. L.; Jones, W. D.; Russell, J. K.

    2000-01-01

    The process of electroforming x-ray mirror shells off a superpolished mandrel has been widely used. The recently launched XMM mission is a good example of this, containing 174 such mirror shells of diameters ranging from 0.3-0.7 m and thicknesses of 0.47-1.07 mm. To continue to utilize this technique for the next generation of x-ray observatories, where ever-larger collecting areas will be required within the constraints of tight weight budgets, demands that new alloys be developed that can withstand the large stresses imposed on very thin shells by the replication and handling processes. Towards this end, we began a development program in late 1997 to produce a high-strength alloy suitable for electroforming very thin high-resolution x-ray optics. The requirements for this task are quite severe; not only must the electroformed deposit be very strong, it must also have extremely low residual stresses to prevent serious figure distortions in large thin-walled shells. Further, the electroforming must be performed at near room temperature, as large temperature changes will modify the figure of the mandrel, in an environment that is not corrosive for the mandrel. The figure of merit for the strength of the electroformed deposit is its Precision Elastic Limit (PEL). This is a measure of permanent strain, at the few parts per million level, under applied stress. Pure nickel is very ductile and will permanently deform, at the parts-per-million level under loads of a few x 10(exp 7) Pa. These stresses are easily exceeded when thin-walled shells (150 micron thick) are replicated. Our goal was to develop an alloy an order of magnitude stronger than this. We will present the results of our development program, showing the evolution of our plating baths through to our present 'glassy' nickel alloy that satisfies the goals above. For each we will show the electroforming characteristics of the bath and the PEL measurements for the resulting alloys. We estimate the ultimate limit on shell thickness and mass for x-ray mirrors produced in these baths.

  6. Algorithms for Large-Scale Astronomical Problems

    DTIC Science & Technology

    2013-08-01

    implemented as a succession of Hadoop MapReduce jobs and sequential programs written in Java . The sampling and splitting stages are implemented as...one MapReduce job, the partitioning and clustering phases make up another job. The merging stage is implemented as a stand-alone Java program. The...Merging. The merging stage is implemented as a sequential Java program that reads the files with the shell information, which were generated by

  7. (3+1)-Dimensional topologically massive 2-form gauge theory: geometrical superfield approach

    NASA Astrophysics Data System (ADS)

    Kumar, R.; Mukhopadhyay, Debmalya

    2018-06-01

    We derive the complete set of off-shell nilpotent and absolutely anticommuting Becchi-Rouet-Stora-Tyutin (BRST) and anti-BRST symmetry transformations corresponding to the combined "scalar" and "vector" gauge symmetry transformations for the (3+1)-dimensional (4D) topologically massive non-Abelian (B \\wedge F) theory with the help of geometrical superfield formalism. For this purpose, we use three horizontality conditions (HCs). The first HC produces the (anti-)BRST transformations for the 1-form gauge field and corresponding (anti-)ghost fields whereas the second HC yields the (anti-)BRST transformations for 2-form field and associated (anti-)ghost fields. The integrability of second HC produces third HC. The latter HC produces the (anti-)BRST symmetry transformations for the compensating auxiliary vector field and corresponding ghosts. We obtain five (anti-)BRST invariant Curci-Ferrari (CF)-type conditions which emerge very naturally as the off-shoots of superfield formalism. Out of five CF-type conditions, two are fermionic in nature. These CF-type conditions play a decisive role in providing the absolute anticommutativity of the (anti-)BRST transformations and also responsible for the derivation of coupled but equivalent (anti-)BRST invariant Lagrangian densities. Furthermore, we capture the (anti-)BRST invariance of the coupled Lagrangian densities in terms of the superfields and translation generators along the Grassmannian directions θ and \\bar{θ }.

  8. META-GLARE: a shell for CIG systems.

    PubMed

    Bottrighi, Alessio; Rubrichi, Stefania; Terenziani, Paolo

    2015-01-01

    In the last twenty years, many different approaches to deal with Computer-Interpretable clinical Guidelines (CIGs) have been developed, each one proposing its own representation formalism (mostly based on the Task-Network Model) execution engine. We propose META-GLARE a shell for easily defining new CIG systems. Using META-GLARE, CIG system designers can easily define their own systems (basically by defining their representation language), with a minimal programming effort. META-GLARE is thus a flexible and powerful vehicle for research about CIGs, since it supports easy and fast prototyping of new CIG systems.

  9. The National Shipbuilding Research Program. A Common Sense Design Manual for Producibility of Hull Foundations

    DTIC Science & Technology

    1996-06-01

    FAMILY OF STANDARD FOUNDATION TYPES TYPE 6 TYPE _TYPE 18 TYPE 24 C o m p u t e r M o d e l Hull Mounted Bottom Shell Gril lage C o m p u t e r M o d... Gril lage S T A N D A R D FOUNDATION TYPE 1 C o m p u t e r M o d e l Hull Mounted Bottom Shell Frame 3. FLANGE BENDING LONGITUDINAL L FRAME BENDING 2

  10. Sensitive electrochemical sensing for polycyclic aromatic amines based on a novel core-shell multiwalled carbon nanotubes@ graphene oxide nanoribbons heterostructure.

    PubMed

    Zhu, Gangbing; Yi, Yinhui; Han, Zhixiang; Wang, Kun; Wu, Xiangyang

    2014-10-03

    Being awfully harmful to the environment and human health, the qualitative and quantitative determinations of polycyclic aromatic amines (PAAs) are of great significance. In this paper, a novel core-shell heterostructure of multiwalled carbon nanotubes (MWCNTs) as the core and graphene oxide nanoribbons (GONRs) as the shell (MWCNTs@GONRs) was produced from longitudinal partially unzipping of MWCNTs side walls using a simple wet chemical strategy and applied for electrochemical determination of three kinds of PAAs (1-aminopyrene (1-AP), 1-aminonaphthalene and 3,3'-diaminobiphenyl). Scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, thermogravimetric analysis and electrochemical methods were used to characterize the as-prepared MWCNTs@GONRs. Due to the synergistic effects from MWCNTs and GONRs, the oxidation currents of PAAs at the MWCNTs@GONRs modified glassy carbon (GC) electrode are much higher than that at the MWCNTs/GC, graphene/GC and bare GC electrodes. 1-AP was used as the representative analyte to demonstrate the sensing performance of the MWCNTs@GONRs/GC electrode, and the proposed modified electrode has a linear response range of 8.0-500.0 nM with a detection limit of 1.5 nM towards 1-AP. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. 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).

  12. 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

  13. When does an old nova become a dwarf nova? Kinematics and age of the nova shell of the dwarf nova AT Cancri

    NASA Astrophysics Data System (ADS)

    Shara, Michael M.; Drissen, Laurent; Martin, Thomas; Alarie, Alexandre; Stephenson, F. Richard

    2017-02-01

    The Z Cam-type dwarf nova AT Cancri (AT Cnc) displays a classical nova (CN) shell, demonstrating that mass transfer in cataclysmic binaries decreases substantially after a CN eruption. The hibernation scenario of cataclysmic binaries predicts such a decrease, on a time-scale of a few centuries. In order to measure the time since AT Cnc's last CN eruption, we have measured the radial velocities of a hundred clumps in its ejecta with SITELLE, Canada-France-Hawaii Telescope's recently commissioned imaging Fourier transform spectrometer. These range from -455 to +490 km s-1. Coupled with the known distance to AT Cnc of 460 pc, the size of AT Cnc's shell, and a simple model of nova ejecta deceleration, we determine that the last CN eruption of this system occurred 330_{-90}^{+135} yr ago. This is the most rapid transition from a high mass-transfer rate, nova-like variable to a low mass-transfer rate, dwarf nova yet measured, and in accord with the hibernation scenario of cataclysmic binaries. We conclude by noting the similarity in the deduced outburst date (within a century of 1686 CE) of AT Cnc to a `guest star' reported in the constellation Cancer by Korean observers in 1645 CE.

  14. Synthesis and cytotoxicity assessment of superparamagnetic iron-gold core-shell nanoparticles coated with polyglycerol.

    PubMed

    Jafari, T; Simchi, A; Khakpash, N

    2010-05-01

    Core-shell iron-gold (Fe@Au) nanoparticles were synthesized by a facile reverse micelle procedure and the effect of water to surfactant molar ratio (w) on the size, size distribution and magnetic properties of the nanoparticles was studied. MTT assay was utilized to evaluate the cell toxicity of the nanoparticles. To functionalize the particles for MRI imaging and targeted drug delivery, the particles were coated by polyglycerol through capping with thiol followed by polymerization of glycidol. The characteristics of the particles were examined by X-ray diffraction (XRD), transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), UV-visible spectroscopy, and Fourier transform infrared spectroscopy (FT-IR). It was found that the size and size distribution of the nanoparticles increase by increasing the water to surfactant molar ratio (w). The particles were spherical in shape with a thin layer of gold. Complementary growth of the gold shell on the iron core was noticed. Meanwhile, two types of agglomeration including magnetic beads and magnetic colloidal nanocrystals clusters were observed dependent on the w-value. The magnetic measurement studies revealed the superparamagnetic behavior of the nanoparticles. MTT assay result indicated the synthesized nanoparticles are nontoxic that will be useful for biomedical applications. Copyright 2010 Elsevier Inc. All rights reserved.

  15. A novel green synthesis of Fe3O4-Ag core shell recyclable nanoparticles using Vitis vinifera stem extract and its enhanced antibacterial performance

    NASA Astrophysics Data System (ADS)

    Venkateswarlu, Sada; Natesh Kumar, B.; Prathima, B.; Anitha, K.; Jyothi, N. V. V.

    2015-01-01

    We described a novel and eco-friendly method for preparing Fe3O4-Ag core shell nanoparticles (CSNPs) with high magnetism and potent antibacterial activity. The Fe3O4-Ag CSNPs were obtained using waste material of Vitis vinifera (grape) stem extract as the green solvent, reducing and capping agent. The result recorded from X-ray powder diffraction (XRD), UV-vis spectrum, energy dispersive spectroscopy (EDS), Fourier transform infrared spectroscopy (FT-IR) supports the biosynthesis and characterization of Fe3O4-Ag CSNPs. From transmission electron microscopy (TEM) the size of the Fe3O4-Ag nanoparticles was measured below 50 nm; high-resolution TEM (HRTEM) indicates the core shell structure; and selected area electron diffraction (SAED) has revealed polycrystalline nature. Vibrating sample magnetometer (VSM) shows the ferromagnetic nature of Fe3O4-Ag CSNPs at room temperature with saturation magnetization of 15.74 emu/g. Further, these biogenic nanoparticles were highly hazardous to microorganisms. The antibacterial activity of biogenic Fe3O4-Ag CSNPs showed potent inhibitory activity against both Gram-positive and Gram-negative pathogens. These nanoparticles may also be reusable because of its excellent ferromagnetic property.

  16. Effect of one step KOH activation and CaO modified carbon in transesterification reaction

    NASA Astrophysics Data System (ADS)

    Yacob, Abd Rahim; Zaki, Muhammad Azam Muhammad

    2017-11-01

    In this work, one step activation was introduced using potassium hydroxide (KOH) and calcium oxide (CaO) modified palm kernel shells. Various concentration of calcium oxide was used as catalyst while maintaining the same concentration of potassium hydroxide to activate and impregnate the palm kernel shell before calcined at 500°C for 5 hours. All the prepared samples were characterized using Fourier Transform Infrared (FTIR) and Field Emission Scanning Electron Microscope (FESEM). FTIR analysis of raw palm kernel shell showed the presence of various functional groups. However, after activation, most of the functional groups were eliminated. The basic strength of the prepared samples were determined using back titration method. The samples were then used as base heterogeneous catalyst for the transesterification reaction of rice bran oil with methanol. Analysis of the products were performed using Gas Chromatography Flame Ionization Detector (GC-FID) to calculate the percentage conversion of the biodiesel products. This study shows, as the percentage of one step activation potassium and calcium oxide doped carbon increases thus, the basic strength also increases followed by the increase in biodiesel production. Optimization study shows that the optimum biodiesel production was at 8 wt% catalyst loading, 9:1 methanol: oil molar ratio at 65°C and 6 hours which gives a conversion up to 95%.

  17. Development of a novel biomaterial with an important osteoinductive capacity for hard tissue engineering.

    PubMed

    Simu, Meda-Romana; Pall, Emoke; Radu, Teodora; Miclaus, Maria; Culic, Bogdan; Mesaros, Anca-Stefania; Muntean, Alexandrina; Filip, Gabriela Adriana

    2018-06-01

    In this study we designed a composite biomaterial based on a high viscosity soft propolis extract (70% propolis) and shell clam, with antiseptic and osteoinductive qualities, that can be used in dentistry, orthopedics and other areas where hard tissue regeneration is needed. We assessed it in interaction with stabilized human cells isolated from dental papilla of wisdom teeth (D1MSCs). We performed detailed characterization of the obtained material by Scanning Electronic Microscopy (SEM), X-Ray Diffraction (XRD), Energy Dispersive X-Ray Spectroscopy (EDX), Fourier Transform Infrared Spectroscopy (FTIR) techniques. SEM investigation revealed the roughness and porosity of the shell, which acted like a scaffold, as it allowed cells to penetrate the pores, proliferate on the surface, spread and grow in the depressions provided by the substrate. in vitro cell viability, proliferation and differentiation assays showed that the newly obtain biomaterial presented low toxicity on D1MSCs and determined the development of numerous osteogenic nodules that were in a higher number even than in the specific induction medium. Our results demonstrated that the shell-propolis based biomaterial promoted and sustained human stem cells attachment, proliferation and differentiation, presenting an important osteoinductive effect essential for mineralized tissue reparation process. Copyright © 2018 Elsevier Ltd. All rights reserved.

  18. Preparation and application of crosslinked poly(sodium acrylate)--coated magnetite nanoparticles as corrosion inhibitors for carbon steel alloy.

    PubMed

    Atta, Ayman M; El-Mahdy, Gamal A; Al-Lohedan, Hamad A; El-Saeed, Ashraf M

    2015-01-14

    This work presents a new method to prepare poly(sodium acrylate) magnetite composite nanoparticles. Core/shell type magnetite nanocomposites were synthesized using sodium acrylate as monomer and N,N-methylenebisacrylamide (MBA) as crosslinker. Microemulsion polymerization was used for constructing core/shell structures with magnetite nanoparticles as core and poly(sodium acrylate) as shell. Fourier transform infrared spectroscopy (FTIR) was employed to characterize the nanocomposite chemical structure. Transmittance electron microscopy (TEM) was used to examine the morphology of the modified poly(sodium acrylate) magnetite composite nanoparticles. These particle will be evaluated for effective anticorrosion behavior as a hydrophobic surface on stainless steel. The composite nanoparticles has been designed by dispersing nanocomposites which act as a corrosion inhibitor. The inhibition effect of AA-Na/magnetite composites on steel corrosion in 1 M HCl solution was investigated using potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS). Polarization measurements indicated that the studied inhibitor acts as mixed type corrosion inhibitor. EIS spectra exhibit one capacitive loop. The different techniques confirmed that the inhibition efficiency reaches 99% at 50 ppm concentration. This study has led to a better understanding of active anticorrosive magnetite nanoparticles with embedded nanocomposites and the factors influencing their anticorrosion performance.

  19. 78 FR 53466 - Announcement of Funding Awards for Transformation Initiative: Sustainable Communities Research...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-29

    ... Awards for Transformation Initiative: Sustainable Communities Research Grant (SCRGP) Program for Fiscal Year 2013 AGENCY: Office of the Assistant Secretary of Policy Development and Research, HUD. ACTION... Fiscal Year (FY) 2013 Transformative Initiative: Sustainable Communities Research Grant Program (SCRGP...

  20. DOE Zero Energy Ready Home Case Study: Transformations, Inc., Custom House, Devens, Massachusetts

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

    none,

    2013-09-01

    This single-family home features a superinsulated shell with 12-inch double walls filled with open cell spray foam, as well as R-5 triple-pane windows. The 18.33 kW photovoltaic system can produce all the electricity the home can use in a year with enough left over to power an electric car for 30,000 miles.These features helped the builder to win a 2013 Housing Innovation Award in the custom home category.

Some links on this page may take you to non-federal websites. Their policies may differ from this site.
Top